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Material Studio软件安装过程中存在的问题回答
DavidLeee 2020-4-21 20:56
Material Studio软件安装会有一些需要注意的地方,否则徒劳耽误了大家好些时间,这也是这篇博文的意义所在。这个软件的安装,首先自己百度下载一个安装包。然后开始进入解压后的文件夹对set.up进行安装,除了更改一下安装路径,其它一律按照默认的设置去进行就OK了。在安装完成之后,先退出来,不要马上着急进行许可证书的安装。因为Licensing的安装一定需要对图1中的Configure Materials Studio....右键以管理员身份进行运行,再进行许可证书的安装,否则在许可证书的安装时会提示你没有权限去安装, 如图 2 所示 。 图1 图2 如图3所示,先将下载的安装包里面的破解文件夹Crack里面的msi文件打开,将第二个英文替换为本电脑的名称,这里电脑的名称只能为数字和英文,否则会在后续建模计算的时候显示“此计算机无法与提供服务器的计算机进行通讯”问题,如图3所示。然后如图4,读入破解文件夹下面Crack里面的msi文件,然后安装就行了。 图3 图4 图5 图6 在这里要说明一点有时候的安装失败需要查看一下图6中安装许可证书这一块这两项是否都处于Started,如果不是调整一下。另外对于电脑重新安装这个软件的同学一定要把之前的文件在电脑上清楚干净,在C盘上搜索一下Accelrys,然后全部删除就行。 作者:李玉海 哈尔滨工业大学博士 研究方向:等离子清洗光栅,有机污染的吸附脱附 邮箱:15546027805@163.com
个人分类: 分子动力学|10573 次阅读|1 个评论
Material Studio进行晶体建模的基本步骤
daishoujun 2018-4-27 21:51
原贴: http://blog.sina.com.cn/s/blog_53383b090100xuro.html https://zhidao.baidu.com/question/304733657958139964.html 可以将以上网页结合起来做 从程序自带的各种晶体及有机模型中导入体系的晶胞 1. 打开MS,由fileimportstructuresmetals\\pure-metalsFe导入Fe的晶胞。 2. 由buildSurfacescleave Surfaces打开对话框. 在对话框中输入要建立的晶面(hkl),选择position,其中depth控制晶面层数。 然后在Z方向上加一个真空层build→buildvacuumslab,真空层厚度自己定义,一般是15埃。加好真空层后即可在Z方向上做周期性了,build→symmetry→suppercell操作可建立超晶胞,
个人分类: Material Studio|9087 次阅读|0 个评论
【IJAC推文】今天, 你充电了吗?
Chenfiona 2017-5-3 09:30
“五一”小长假终究还是过去了,电量不足的小伙伴们,带上你的小马达,跟我一起充充“电”吧! 第一站:电池诞生记 1 ) 1746 年:莱顿瓶 莱顿大学的马森布罗克用一支枪管悬在空中,用起电机与枪管连着,另用一根铜线从枪管中引出,浸入一个盛有水的玻璃瓶中,一个助手一只手握着玻璃瓶,马森布罗克在一旁使劲摇动起电机。这时他的助手不小心将另一只手与枪管碰上, 随后 猛然感到一次强烈的电击,喊了起来。马森布罗克由此得出结论:把带电体放在玻璃瓶内可以把电保存下来 , 后来人们就把这个蓄电的瓶子称作“ 莱顿瓶 ” ,这个实验称为 “ 莱顿瓶实验 ” 。 2 ) 1786 年:“生物电” 意大利 解剖学家伽伐尼在做青蛙解剖时,两手分别拿着不同的金属器械,无意中同时碰在青蛙的大腿上,青蛙腿部的肌肉立刻抽搐了一下,仿佛受到电流的刺激,而只用一种金属器械去触动 青蛙 ,却并无此种反应。伽伐尼认为,出现这种现象是因为动物躯体内部产生的一种电,他称之为“ 生物电 ” 。 3 ) 1799 年:伏特电堆 意大利物理学家伏特把一块锌板和一块银板浸在 盐水 里,发现连接两块金属的导 线中有电流通过。于是,他就把许多锌片与银片之间垫上浸透盐水的绒布或纸片,平叠起来。用手触摸两端时,会感到强烈的电流刺激。伏特用这种方法成功的制成了世界上第一个电池──“ 伏特电堆 ” 。 4 ) 1836 年:丹尼尔电池 英国的 丹尼尔 对“ 伏特电堆 ” 进行了改良。他使用 稀硫酸 作电解液,解决了电池极化问题,制造出第一个不极化,能保持 平衡 电流的锌─ 铜电池,又称 “ 丹尼尔电池 ” 。 5 ) 1860 年:蓄电池 法国的普朗泰发明出用铅做电极的电池。当电池使用一段使电压下降时,可以给它通以反向电流,使电池电压回升。因为这种电池能充电,可以反复使用,所以称它为“ 蓄电池 ” 。 电池已经诞生了 200多年,现在仍然在前进。无论是过去还是现在,电池的目标都没有改变:随时随地让人享受电能的巨大恩惠。 如何预测电池的剩余电量?如何提高电池性能?英国学者为你解惑 ~ 第二站:好文推荐 VRLA 电池系统中分析孔隙几何形状及识别方块效应的高级预测机制 An Advanced Prediction Mechanism to Analyse Pore Geometry Shapes and Identification of Blocking Effect in VRLA Battery System Alessandro Mariani 1 , Kary Thanapalan 1 , Peter Stevenson 2 , Jonathan Williams 1 1. Faculty of Computing, Engineering and Science , University of South Wales , Pontypridd , UK 2. Yuasa Battery (UK) Ltd , Rassau Industrial Estate , Ebbw Vale , UK 收录信息: Alessandro Mariani, Kary Thanapalan, Peter Stevenson etc. An Advanced Prediction Mechanism to Analyse Pore Geometry Shapes and Identification of Blocking Effect in VRLA Battery System . International Journal of Automation and Computing , 2017,14(1): 21-32. 全文链接: 1) Springer Link: https://link.springer.com/article/10.1007/s11633-016-1040-0 2) IJAC 官网: http://www.ijac.net/EN/abstract/abstract1855.shtml 文章概要: 本文提出一种高级预测机制,用于 阀控密封铅酸( VRLA )电池 系统中的孔隙几何形状分析以及方块效应识别。本研究首先构建了一个数学模型来识别 VRLA 电池的剩余电量,而后通过电化学阻抗技术得出实验数据,用以验证该模型。最后,基于数据分析,得出低性能电池中发生扩散限制的原因。通过本研究可知,电极大小及孔分布将影响电池在充电及放电时的电化及电解过程。 关键词 : Positive active material, crystal structure, valve regulated lead acid (VRLA) batteries, modelling, estimation and recovery techniques. 作者简介 : Alessandro Mariani received the B. Eng. degree from University of Glamorgan, UK in 2010. He is currently a Ph.D. degree candidate at University of South Wales, UK. His research interests include lead acid battery technology and electrochemical performance analysis. ORCID iD: 0000-0001-5810-2681 Kary Thanapalan received the B.Eng. degree in control engineering from City University London, UK. Later he received the Ph.D. degree in aerospace control systems from the University of Liverpool, UK . He is currently working as a senior researcher in the faculty of computing, engineering and sciences, University of South Wales, UK, and a leading researcher in the fields of energy and renewable energy and control and automation engineering. His research interests include control system design, renewable energy and optimization analysis. ORCID iD: 0000-0001-6398-4340 Peter Stevenson received the M. Sc. degree in chemistry from the University of Cambridge, UK in 1979. He is currently working as senior technical co-ordinator at the Yuasa Battery (Europe) Ltd. His research interests include lead acid and lithium battery technology. ORCID iD: 0000-0003-3894-2207 Jonathan Williams received the M. Eng. degree in mechatronic engineering and has since worked with numerous industrial companies and specialist materials companies at the University of South Wales, UK . He is currently working as a CAPSE director at the University of South Wales, UK, and a leading researcher in the development of new innovative energy storage system and solutions. His research interests include power system engineering and lithium based energy storage. 部分内容整理自网络,参见: http://tech.qq.com/a/20090524/000025.htm http://baike.so.com/doc/1207846-1277666.html IJAC International Journal of Automation and Computing IJAC的出版服务不会止于论文发表。在论文发表后,IJAC也在积极地通过多种方式帮助作者提升研究成果的影响力,“IJAC推文”是其中一种方式,即通过互联网,以研究简介、实验视频等内容和形式,来帮助作者推广出版作品。 IJAC官方微信平台带您开启一场不一样的学术之旅,这里有最新会议资讯、研究成果、科普常识、美图美文,还有热情活泼而又不失严肃认真的阳光小编! IJAC官方网站: 1) http://link.springer.com/journal/11633 2) http://www.ijac.net 新浪微博:IJAC-国际自动化与计算杂志 官方微信:IJAC Twitter: IJAC_Journal Linked in(领英): Int. J. of Automation and Computing
个人分类: 好文推荐|577 次阅读|0 个评论
模拟小窝(SimulationWorld)网络课堂介绍
WTianSD 2016-11-30 15:12
1. . 模拟小窝在网易云课堂推出系列分子动力学模拟的课程,包含基本理论、模拟软件、数据分析软件的介绍(目前包含分子模拟入门知识,LAMMPS软件,GROMACS软件,VMD软件)等等。课堂是一线科研人员精心制作的计算模拟技术入门和提升课程。 课程系列以引导如何自学为目标,解决学什么、怎么学的问题;课程以授“渔”为宗旨。入门课程旨在缩短新手的入门时间,降低入门的门槛,实现新人尽快掌握模拟所需要的基本知识和基本技能 课题地址: http://study.163.com/u/simuly 另外课程部分内容可以在优酷 模拟小窝 自频道观看: http://i.youku.com/i/UMjg3MDcwODM1Mg== 2. SimulationWorld微信公众号(扫描关注): 共享分子模拟的技巧,分享模拟经验和相关知识技能,打造国内利用分子模拟进行科学研究的交流平台;构建学习型互联网+社区,助力中国科学技术发展。
个人分类: 模拟技术|7288 次阅读|0 个评论
[转载]Introduction to Magnetochemistry
stonezhj 2013-7-5 07:52
Introduction to MagnetochemistryDavid Young Cytoclonal Pharmaceutics Inc. Introduction Magnetochemistry is the study of the magnetic properties of materials. By magnetic properties we mean not only whether a material will make a good bar magnet, but whether it will be attracted or repelled by a magnet. This includes synthesis, analysis and understanding. This short description is meant to give a basic understanding before you delve into a more complex treatment. Magnetism arises from moving charges, such as an electric current in a coil of wire. In a material which does not have a current present, there are still magnetic interactions. Atoms are made of charged particles (protons and electrons) which are moving constantly. The processes which create magnetic fields in an atom are Nuclear spin. Some nuclei, such as a hydrogen atom, have a net spin which creates a magnetic field. Electron spin. An electron has two intrinsic spin states (similar to a top spinning) which we call up and down or alpha and beta. Electron orbital motion. There is a magnetic field due to the electron moving around the nucleus. Each of these magnetic fields interact with one another and with external magnetic fields. However, some of these interactions are strong and others are negligible. Measurement of interactions with nuclear spins are used to analyze compounds in nuclear magnetic resonance (NMR) and electron spin resonance (ESR) spectroscopy. In most other situations, interaction with nuclear spins is a very minor effect. Interactions between the intrinsic spin of one electron and the intrinsic spin of another electron are strongest for very heavy elements such as the actinides. This is called spin-spin coupling. For these elements this coupling can shift the electron orbital energy levels. The interaction between an electron's intrinsic spin and it's orbital motion is called spin-orbit coupling. Spin-orbit coupling has a significant effect on the energy levels of the orbitals in many inorganic compounds. Macroscopic effects, such as the attraction of a piece of iron to a bar magnet are primarily due to the number of unpaired electrons in the compound and their arrangement. The various possible cases are called magnetic states of matter. Magnetic States of Matter Diamagnetic - A diamagnetic compound has all of it's electron spins paired giving a net spin of zero. Diamagnetic compounds are weakly repelled by a magnet. Paramagnet - A paramagnetic compound will have some electrons with unpaired spins. Paramagnetic compounds are attracted by a magnet. Ferromagnet - In a ferromagnetic substance there are unpaired electron spins, which are held in alignment by a process known as ferromagnetic coupling. Ferromagnetic compounds, such as iron, are strongly attracted to magnets. Ferrimagnet - Ferrimagnetic compounds have unpaired electron spins, which are held in an pattern with some up and some down. This is known as ferrimagnetic coupling. In a ferrimagnetic compound, there are more spins held in one direction, so the compound is attracted to a magnet. Antiferromagnetic - When unpaired electrons are held in an alignment with an equal number of spins in each direction, the substance is strongly repelled by a magnet. This is referred to as an antiferromagnet. Superconductor - Superconductors are repelled by magnetic fields because the magnetic field is excluded from passing through them. This property of superconductors, called the Meissner effect, is used to test for the presence of a superconducting state. The underlying theory of how superconductivity arises is still a matter of much research and debate at the time of this writing. It does appear that the mechanism behind the magnetic properties of superconductors is significantly different from the other classes of compounds discussed here. For these reasons, superconductors will not be discussed further here. Interaction with an External Magnetic Field A magnetic field is given the symbol H which is a vector since the field has both a direction and a magnitude. For this discussion we will consider only interactions in one dimension making H and many other quantities we will define scalars. This gives us results for a homogeneous magnetic field and is a very good approximation for the way that most magnetic property measurements are performed. The magnitude of the magnetic field is usually given in units of gauss (G) or tesla (T) where 1 tesla = 10000 gauss. When a material is placed in a magnetic field, the magnetic field inside the material will be the sum of the external magnetic field and the magnetic field generated by the material itself. The magnetic field in a material is called the magnetic induction and given the symbol B. The formula for this is B = H + 4 Pi M where B = magnetic induction H = external magnetic field Pi = 3.14159 M = magnetization ( a property of the material ) For mathematical and experimental convenience this equation if often written as B = 1 + 4 Pi M = 1 + 4 Pi Xv - ------ H H where Xv = M/H = volume magnetic susceptibility The volume magnetic susceptibility is so named because B, H and M are defined per unit volume. However this results in Xv being unitless. It is convenient to use the magnetic susceptibility instead of the magnetization because the magnetic susceptibility is independent of the magnitude of the external magnetic field, H, for diamagnetic and paramagnetic materials. Many studies are done using Xg, magnetic susceptibility per gram, which is Xv divided by the density. This gives units of cm cubed per gram. Another useful form is Xm, molar magnetic susceptibility, which is Xg times the molecular weight. This gives units of cm cubed per mole. Another measure of magnetic interaction that is often used is an effective magnetic moment, mu, where mu = 2.828 ( Xm T ) 1/2 where mu = effective magnetic moment Xm = molar magnetic susceptibility T = temperature The numeric factor puts mu in units of Bohr magnetons (BM). Where one BM equals 9.274 x 10^-24 joules per tesla. The effective magnetic moment is a convenient measure of a material's magnetic properties because it is independent of temperature as well as external field strength for diamagnetic and paramagnetic materials. This said, we would now like to examine how the magnetization, magnetic susceptibility and effective magnetic moment depend on molecular structure. Diamagnetism Diamagnetism can be described by electrons forming circular currents, orbiting the nucleus, in the presence of a magnetic field. As such, a diamagnetic contribution can be calculated for any atom. However, the magnitude of the diamagnetic contribution is so much smaller than the magnitude of paramagnetic and other effects that it is usually ignored for any other type of materials. In this orbital model, the diamagnetic susceptibility from a given electron is proportional to the square of it's mean distance from the nucleus. Thus larger atoms are expected to have a larger diamagnetic interaction than smaller atoms. Often, the contributions for common atoms are tabulated along with corrections for multiple bonds. Thus a magnetic susceptibility can be predicted merely by adding together the contributions from all of the atoms and bonds in the molecule. For an example of these scheme, see Drago. For a more complete treatment, see Selwood. Paramagnetism The structural feature most prominent in determining paramagnetic behavior is the number of unpaired electrons in the compound. A spin only formula for the magnetic moment of a paramagnetic compound is mu = g { S ( S + 1 ) } 1/2 where mu = effective magnetic moment g = 2.0023 S = 1/2 for one unpaired electron 1 for two unpaired electrons 3/2 for three unpaired electrons, etc. This equation is sometimes written with g=2. This does not introduce a significant error since this simple spin only treatment is a decent approximation but is often not accurate even to two significant digits. An equation which takes into account both spin and orbital motion of the electrons is mu = { 4 S ( S + 1 ) + L ( L + 1 ) } 1/2 where mu = effective magnetic moment S = 1/2 for one unpaired electron, 1 for two, etc. L = total orbital angular momentum This equation is derived for atoms. It is applicable only to molecules with very high symmetry where the energies of the orbitals containing unpaired electrons are degenerate. A discussion of the calculation of L can be found in any introductory quantum mechanics text or in the chapter on quantum mechanics in many physical chemistry texts. If the splitting of orbital energy levels is large relative to k T ( k is the Boltzman constant ) then the applicable formula is mu = g { J ( J + 1 ) } 1/2 where g = 1 + S ( S + 1 ) - L ( L + 1 ) + J ( J + 1 ) --------------------------------------- 2 J ( J + 1 ) where J = S + L This formula is usually used for the lanthanide and actinide elements. For more accurate treatment of these elements, a diamagnetic contribution can be added to this as described by Selwood. If the splitting of orbital energy levels is comparable in magnitude to k T then the expression for magnetic properties must incorporate a Boltzman distribution. This is often the case with high spin transition metal complexes. The worst case, where this procedure is absolutely imperative, is the description of spin cross overs such as exhibited by some iron coordination compounds. Examples of this type of treatment are given in both the Drago and Selwood texts. For all of the cases of paramagnetic behavior the spin only formula is often used as a first rough approximation. If the only purpose for measuring the magnetic susceptibility is to determine the number of unpaired electrons this is often all that is done. Ferromagnetism, Antiferromagnetism and Ferrimagnetism The advantage of using effective magnetic moments for describing paramagnetic behavior is that it is a measure of the materials magnetic behavior which is not dependent upon either the temperature or the magnitude of the external field. It is not possible to set up such a convention for ferromagnetic, antiferromagnetic and ferrimagnetic materials. All three of these classes of materials can be considered a special case of paramagnetic behavior. The description of paramagnetic behavior is based on the assumption that every molecule behaves independently. The materials discussed here result from a situation in which the direction of the magnetic field produced by one molecule is affected by the direction of the magnetic field produced by an adjacent molecule, in other words their behavior is coupled. If this occurs in a way in which the magnetic fields all tend to align in the same direction, a ferromagnetic material results and the phenomenon is called ferromagnetic coupling. Antiferromagnetic coupling gives an equal number of magnetic fields in opposite directions. Ferrimagnetic coupling gives magnetic fields in two opposite orientations with more in one direction than in the other. With a few exceptions, the magnetic moments are not aligned through out the entire material. Typically regions, called domains, will form with different orientations. The existence of domains of coupled molecules gives rise to a number of types of behavior as described in the following paragraphs. The tendency of molecules to align themselves to one another enhances the magnetization of the material due to the presence of an external magnetic field. This is why ferromagnetic and ferrimagnetic materials can have magnetic susceptibilities several orders of magnitude large than paramagnetic materials. This also gives rise to the fact that the magnetic susceptibility of these materials is not independent of the magnitude of the external magnetic field as was the case for diamagnetic and paramagnetic materials. For a ferromagnetic material, the actual field acting on a given magnetic dipole ( unpaired electron ) is designated Ht and given by an equation similar to the equation for magnetic induction given above. Ht = H + Nw M where Ht = magnetic field felt by an electron H = external magnetic field Nw = molecular field constant, approximately 10000 M = magnetization This equation is used because it allows a mathematical treatment of a ferromagnetic substance similar to that used for paramagnetic substances. In this form the molecular field constant, Nw, is typically defined empirically in order to take the ferromagnetic coupling into account. To obtain the molecular field constant in a rigorous way would require a quantum mechanical calculation that takes into account the elements, their arrangement in the solid, kinetic energy of the electrons, coulombic attraction of electrons to the nucleus and repulsion with other electrons as well as spin interactions. What is most often done is a computer simulation using the Ising model, which is not truly rigorous but is based on quantum mechanics. This is a spin only quantum mechanical treatment assuming that the values of neighboring spins can be replaced by their average over time. For more explanation, see Morrish. Vibrational motion of the molecules, which increases with temperature, can disrupt the domain structure. Thus the magnetic properties of all three of these types of materials are strongest at low temperatures. At sufficiently high temperatures, no domain structure is able to form so all of these materials become paramagnetic at high temperatures. The temperature at which paramagnetic behavior is seen called the Curie temperature for ferromagnetic and ferrimagnetic materials and called the Neel temperature for antiferromagnetic materials. This is why a temperature independent effective magnetic moment cannot be defined for these materials. The alignment of the magnetic moments of the domains may give the material a net magnetic moment even in the absence of an external field. This gives a permanent magnet, such as a bar magnet. A material with no net moment prior to being exposed to an external magnetic field may retain a net moment after being exposed to an external magnetic field. This is how cassette and video tapes and computer disks store information. The magnitude of this memory effect can be quantified by plotting magnetization vs field strength as the external field intensity is varied from one polarity to the other and back again. A strong memory effect will be indicated by a wide hysteresis loop. Over a period of time magnetic domains tend to return to a random orientation. This makes the kinetics of this relaxation process another factor in the magnetic behavior of these materials. This is also responsible for the limited life span of magnetically stored music, video and computer data. Variation with Temperature The source of variation of magnetic properties with temperature is the disruption of the alignment of molecular magnetic moments due to the thermal motion of the atoms. As such, it should come as no surprise that diamagnetic behavior shows no variation with temperature. Paramagnetism As temperature increases, the magnetic susceptibility of a paramagnetic substance decreases. In some paramagnetic compounds the magnetic susceptibility is inversely proportional to the temperature. These are called normal paramagnets and have magnetic properties arising primarily due to the presence of permanent magnetic dipoles. This is referred to as the Curie Law and is expressed in mathematical form as X = C / T where C = Na g 2 b 2 ------- 4 k where X = magnetic susceptibility C = the Curie constant T = temperature Na = Avogadro's number g = the electron g factor b = the Bohr magneton k = the Boltzman constant In most paramagnetic compounds, an inverse relationship is observed, but the extrapolation to zero temperature does not obey the Curie Law. These compounds obey the Curie-Weiss Law which is X = C --------- T - theta where theta is a constant referred to as the Weiss constant. The Weiss constant can have a large range of values from -70 K to 3000 K. Most often it is positive. Ferromagnetism ferrimagnetism Ferromagnetic and ferrimagnetic compounds also show a decrease in magnetic susceptibility with increasing temperature. However, a plot of magnetic susceptibility vs. temperature shows a different line shape for these compounds than for paramagnetic compounds. This plot would have a positive curvature for paramagnetic compounds and a negative curvature for ferromagnetic compounds. A rough sketch of the shapes of these curves is as follows When a critical temperature ( called the Curie temperature ) is reached, the curvature of the plot changes. At the Curie temperature, ferromagnetic and ferrimagnetic compounds become paramagnetic. Curie temperatures range from 16 C for Gd to 1131 C for Co. For ferromagnetic substances a universal temperature curve can be constructed, meaning that all substances with the same total spin follow the same curve. This is done by plotting M(T)/M(0) vs T/Tc where M(T) is the magnetization at a given temperature, M(0) is the magnetization at absolute zero, T is the temperature and Tc is the Curie temperature. For more information, see Morrish. Antiferromagnetism Antiferromagnetic compounds show an increase in magnetic susceptibility until their critical temperature, called the Neel temperature, is reached. Above the Neel temperature these compounds also become paramagnetic. Neel temperature range from 1.66 K for MnCl 2 *4H 2 O to 953 K for alpha-Fe 2 O 3 . As with ferromagnetic substances, a universal temperature curve can be constructed that all substances with the same number of unpaired electrons follow. This is done by plotting X(T)/X(Tn) vs T/Tn where X(T) is the magnetic susceptibility at a given temperature, X(Tn) is the magnetic susceptibility at the Neel temperature, T is the temperature and Tn is the Neel temperature. For more information, see Morrish. Further Information Magnetochemistry is most often the realm of inorganic chemists so there should be a short discussion in any basic inorganic text. An old but good book on many aspects of magnetochemistry is P. W. Selwood Magnetochemistry Interscience (1956) Another good text is A. H. Morrish The Physical Principles of Magnetism John Wiley Sons (1965) There are chapters on magnetochemistry in R. S. Drago Physical Methods For Chemists Saunders College and Harcourt Brace Jovanovich (1992) L. Solymar, D. Walsh Lectures on the Electrical Properties of Materials Oxford (1993) A mathematical treatment can be found in D. L. Goodstein States of Matter Dover (1985) Solid state properties are covered in A. R. West Solid State Chemistry and its Applications John Wiley Sons (1992) A book describing more sophisticated simulation techniques is M. H. Krieger Constitutions of Matter University of Chicago Press (1996)
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[转载]【电子器件】201301Analysis of the GaAs GaAsBi material syste
lcj2212916 2013-6-1 14:22
Analysis of the GaAs GaAsBi material system for heterojunction bipolar transistors 共6页。 摘要: This paper reports on the simulation of a double heterojunction bipolar transistor using the novel GaAs/GaAsBi material system. Published material parameters were used to simulate the device performance using an analytic drift-diffusion device model. DC and RF parameters were calculated as a function of emitter current density, base thickness and doping, and emitter stripe width and doping. Current gain is predicted to be between 102 and 103 at a current density of 105 A/cm2 and a bismuth concentration of 1.5%–3%. RF performance was calculated to range from10 to 30GHz for fT and from100 to 120 GHz for fmax at a current density of 105 A/cm2, base thickness of 100–200 nm, and emitter stripe width of 0.1–1 μm. 下载地址: http://www.pipipan.com/file/22096698
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“重复出版”研究文献分析报告 1969-2013年
热度 1 xupeiyang 2013-3-18 14:16
本文介绍了“重复出版”的定义,对重复出版相关的研究文献1727篇进行了分析。 主题词: ​ 重复出版(主题) 英文名称: ​ DuplicatePublicationasTopic 树状结构号: ​ L01.737.471 标引注释: ​ IMonlyforduplicatepublicationasapublishingorbibliothecalproblemfornoticesthatanarticlehasbeenpublishedinduplicate;donotconfusewithPublicationTypeDUPLICATEPUBLICATIONusedforanindividualitemidentifiedasaduplicatepublication;donotconfusewithPLAGIARISM 标引回溯注释: ​ Publishing(出版)(1966-1989) 历史注释: ​ 2008(1990) 主题词详解: ​ Simultaneousorsuccessivepublishingofidenticalornear-identicalmaterialintwoormoredifferentsourceswithoutacknowledgment.Itdiffersfromreprintedpublicationinthatareprintcitessources.ItdiffersfromPLAGIARISMinthatduplicatepublicationistheproductofthesameauthorshipwhileplagiarismpublishesaworkorpartsofaworkofanotherasone'sown. 主题树 信息科学 出版 重复出版(主题) 英文主题词 DuplicatePublicationasTopic 英文注释 Simultaneousorsuccessivepublishingofidenticalornear-identicalmaterialintwoormoredifferentsourceswithoutacknowledgment.Itdiffersfromreprintedpublicationinthatareprintcitessources.ItdiffersfromPLAGIARISMinthatduplicatepublicationistheproductofthesameauthorshipwhileplagiarismpublishesaworkorpartsofaworkofanotherasone'sown. 中文主题词 重复出版专题 中文注释 相同或几乎相同的资料由两个或多个不同出处在未承认情况下的同时或连续出版。与单行本出版物的不同之处在于再版引用出处。与剽窃物的不同之处在于重复出版为相同著作和原著者的作品,而剽窃物是将别人的作品或部分作品作为自己的出版。 http://www.sinomed.ac.cn/zh/subjectSearch.do?method=detaildbtype=zhid=D015713flag=110 检索词DuplicatePublication 研究论文分析结果如下: ​ 1 2 3 ... 292 TopTerms Publications ‍ Humans 1,053 ‍ Patients 379 ‍ Unknowntermdefault#fulltext 346 ‍ Adult 274 ‍ MiddleAged 226 ‍ Unknowntermdefault#review 193 ‍ Aged 186 ‍ EvaluationStudiesasTopic 180 ‍ Animals 172 ‍ Child 122 ‍ Diagnosis 122 ‍ Neoplasms 112 ‍ UnitedStates 111 ‍ Surgery 107 ‍ Adolescent 103 ‍ TreatmentOutcome 85 ‍ Methods 82 ‍ Proteins 81 ‍ Aged,80andover 73 ‍ Hospitals 66 1 2 3 ... 292 ​ 1 2 TopYears Publications ‍ 2007 115 ‍ 2005 113 ‍ 2003 112 ‍ 2004 109 ‍ 2008 102 ‍ 2006 99 ‍ 1991 91 ‍ 2009 84 ‍ 2000 76 ‍ 1992 74 ‍ 2010 66 ‍ 1994 61 ‍ 2002 60 ‍ 1997 58 ‍ 1998 57 ‍ 2001 57 ‍ 1999 55 ‍ 1995 55 ‍ 1990 45 ‍ 2011 41 1 2 ​ 1 2 3 4 TopCountries Publications ‍ UnitedStates 323 ‍ UnitedKingdom 61 ‍ Italy 40 ‍ Canada 40 ‍ France 37 ‍ Japan 35 ‍ China 32 ‍ Germany 32 ‍ Spain 30 ‍ Netherlands 29 ‍ India 27 ‍ Australia 21 ‍ Switzerland 17 ‍ SouthKorea 15 ‍ Turkey 14 ‍ Iran 13 ‍ Sweden 12 ‍ Israel 10 ‍ Belgium 9 ‍ Austria 8 1 2 3 4 ​ 1 2 3 ... 15 TopCities Publications ‍ Boston 17 ‍ NewYorkCity 17 ‍ Houston 17 ‍ Madrid 17 ‍ London 14 ‍ Shanghai 13 ‍ Dallas 12 ‍ SanFrancisco 12 ‍ Tehrān 12 ‍ LosAngeles 11 ‍ Philadelphia 11 ‍ Montréal 11 ‍ Amsterdam 11 ‍ Rochester 10 ‍ Paris 10 ‍ Roma 9 ‍ Toronto 9 ‍ Bethesda 9 ‍ Seoul 9 ‍ Chicago 8 1 2 3 ... 15 ​ 1 2 3 ... 40 TopJournals Publications ‍ TransAmOphthalmolSoc 28 ‍ Bmj 24 ‍ NedTijdschrGeneeskd 23 ‍ Nature 18 ‍ Neurology 17 ‍ AmJRoentgenol 16 ‍ Lancet 15 ‍ IntJBiostat 13 ‍ Ophthalmology 12 ‍ ArchNeurobiol(madr) 12 ‍ BullSocSciMedGrandDucheLuxemb 12 ‍ Chest 11 ‍ Radiology 11 ‍ FebsLett 11 ‍ Thorax 11 ‍ AdvSpaceRes 11 ‍ DiabetesCare 11 ‍ BEnvironContamTox 10 ‍ IntensCareMed 10 ‍ CellMolBiol 10 1 2 3 ... 40 ​ 1 2 3 ... 189 TopAuthors Publications ‍ MathéG 16 ‍ ReizensteinP 10 ‍ JohnsonJ 7 ‍ KennedyD 7 ‍ WeberP 7 ‍ WeberR 7 ‍ BenningerM 7 ‍ RubenR 7 ‍ SmithR 7 ‍ SataloffR 7 ‍ ReichM 7 ‍ BenosD 7 ‍ NavarL 7 ‍ HankeC 7 ‍ ArndtK 7 ‍ DobsonR 7 ‍ TaylorJ 6 ‍ DzubowL 6 ‍ ParishL 6 ‍ WeirN 5 1 2 3 ... 189 publicationsovertime worldmap networkoftopauthors http://www.gopubmed.org/web/gopubmed/1?WEB0yriejg0brvglI0I1I00h001000j10021000300.y 参考文献: 1.用不同语言发表同样研究算重复发表吗? 尊敬的 Eddy 博士:   我想知道不同语种如国内中文期刊发表过的,能不能在国外英文期刊发表?即国内认为的不同语种期刊发表同一篇或相近论文,不算一稿两投,在国际上怎么看? http://blog.sciencenet.cn/blog-769813-667455.html 2.同一篇论文可以用不同的语种文字发表 http://blog.sciencenet.cn/blog-280034-667606.html 相关博文和文献: 旗帜鲜明地反对“一稿多语多投”兼一些博友的问题解答 http://blog.sciencenet.cn/blog-502444-506926.html 水迎波《 一次论文的双语审查以及“双语规则” 》 许培扬《 同一篇论文可以在不同语种期刊上发表 》 李子丰、李润启《 首发论文文种选择与翻译再发表 》科技信息2010.02 赵斌《 鼓励论文同时在中、英文杂志上发表,成吗 ?》 任胜利《 一稿多投与二次发表 》 国际上论文重复发表的有关情况 http://blog.sciencenet.cn/blog-1557-595847.html 重复发表现象在全世界居然如此严重 http://blog.sciencenet.cn/home.php?mod=spaceuid=1557do=blogid=346809 最佳实践5:重复(多次)发表 期刊的“作者须知”应明确解释什么样的文章会或不会被视作以往曾发 表过。在学术会议上的摘要和板报,在会议上报告的结果(比如向研究 人员或参加者通报研究发现),结果数据库(未经解读的数据、讨论、以 表格形式报告的文章内容或结论,以及对不易列表描述的数据/信息所 作的文字描述),Wiley-Blackwell不将其视为以往曾发表过。 有些期刊可能会接受(即不视为“重复发表”)那些被从原著准确翻译成 不同语言的论文。期刊在翻译和发表曾在别的刊物发表过的材料时,应 确保获得了相关的许可,清楚地说明材料是经翻译和再次发表的,并清 楚地标明材料的原始来源。如果担心可能是重复发表,编辑可向作者索 要相关文章的复印件。为了服务于不同的读者群而用同种语言再次出版 原始出版物,当原始出版物是容易获取的电子版时,判断是否属于重复 发表的难度更大。但是,如果编辑认为不存在不妥之处,应采取与对待 翻译同样的处理步骤。 编辑应确保亚组分析(sub-groupanalyses)、荟萃分析(meta-analyses) 以及二级分析(secondaryanalyses)的论文明确声明其研究是对已发表 过的数据进行再次分析,应直接引用原始资料,原始报告如果有临床试 验登记号,也应包括在论文内。 Wiley-Blackwell要求作者在其任何杂志发表文章之前必须递交Wiley- Blackwell专用特许表格、网上开放表或版权转让表,并要求通讯作者 签名,以确保文章的原创性,之前未曾发表过,并且目前不被其它任何 印刷版或电子版刊物考虑发表。 关于重复发表的问题与解答: Q.“我正考虑和两个同类期刊的编辑合写一篇关于剽窃和学术争论的社 论。这篇文章将在3家期刊上同时刊登。” A.这是正当的多次发表。多次发表有助于强化(重要)信息。每篇社论 须以参考文献或直接陈述的方式引用另外两篇社论。 Q.“我们发表来自专科学会的论文摘要,通常在几个月之后收到全文。” A.这不是重复发表。摘要不代表全部的结果/分析。 Q.“原著在主期刊发表后的几个月内被我们的中文版翻译成中文。” A.这是正当的再发表。翻译文章应清楚表明(或许在题目中)该文来 自对原著的翻译,应该直接引用原文(包括摘要和正文,作为文献和 http://authorservices.wiley.com/bauthor/PublicationEthic_Simplified_Chinese_low.pdf 写作与出版规范 PublicationEthic_Simplified_Chinese_low.pdf
个人分类: 信息交流|3352 次阅读|5 个评论
[转载]thz material
antenna 2013-3-15 01:21
http://cs5421.userapi.com/u11728334/docs/e26dc7539f4d/Andr_Moliton_Basic_Electromagnetism_and_Mater.pdf http://bbs.sciencenet.cn/thread-538265-1-1.html http://aph.huji.ac.il/courses.html
个人分类: 教学心得|1 次阅读|0 个评论
Starlite material: 科学的奇迹还是科技骗局??
quanzhsh 2013-2-14 14:28
鸡蛋备妥,莫里斯·沃德(Maurice Ward)已经检视无误。他把鸡蛋托到制作人面前,摄像机随即开拍。 “这可不是一枚普通的鸡蛋,”节目主持人彼得·迈凯恩(Peter McCann)宣布。鸡蛋表面正有一盏喷灯徒劳地烘烤着。照理说,只要在烈焰下炙烤数秒,蛋壳就该碎裂。但现在几分钟过去了,鸡蛋依然完好无损。迈凯恩将鸡蛋拿起托在掌中说,“只是稍微有点发热而已”。接着他敲开蛋壳,液态的蛋黄淌了下来,“里头还一点儿都没熟呢”。 这一幕发生在1990年3月,地点是英国电视节目《明日世界》(Tomorrow’s World)的演播室。经过这番精彩的演示,沃德的命运似乎将被改变。 那枚鸡蛋本身并没有什么特别,它之所以能抵挡喷灯的高热,全靠沃德在它表面涂抹的那一层薄薄的白色物质。沃德是一位业余发明家,来自英格兰北部的哈特尔普尔,没有受过科学训练。他将自己发明的这种东西命名为“星光”(Starlite)。 据迈凯恩介绍,星光可以方便地涂抹在飞机、电器、木门及塑料线上——凡是需要防范热气和火焰的地方都行。看来,沃德不久就要致富了。果然,很快就有各色人等瞄上了星光,登门接洽,其中有科学家,有跨国公司,甚至还有美国国家航空航天局(NASA)。有买主开出百万美元的合约。但是后来,事情却没了下文。 难道是沃德愚弄了电视制作人?难道所谓的星光是一场骗局?所有证据都表明并非如此。节目播出之后,英美两国的政府实验室都开展了测试,证明星光是真家伙。高层人士也不吝赞誉,其中包括英国国防部前任科学顾问、化学家罗纳德·梅森(Ronald Mason)。他在1993年告诉一名电视记者:“我刚听说莫里斯的时候十分怀疑,但现在我深信他绝无虚言。” 在接下来的20年里,沃德又制作了几份样品,但始终不肯透露配方。到了2011年5月,他去世了。 星光到底是怎么回事?这个问题的答案,是一个夹杂着挫折、权力和保密的故事,它给头脑发热的人浇了一盆冷水,提醒他们巧思和创意未必就能带来商业成功。除此之外还有几个诱人的问题:这种材料的原理是什么?它真算得上是重大突破吗?最重要的是,沃德有没有把它的秘密带进坟墓? 没有人知道这东西是怎么发明出来的,我们知道的是,沃德对科学完全是个外行。他最早是个理发师,据说上世纪80年代在英格兰北部经营过一小间塑料公司。除此之外,他还是一名英伦怪客,留着一把白色络腮胡,系着领结,思维发散。他对几名记者说,他在厨房的桌子上用食品加工机合成了几批星光,但当其中一人问他这种神奇材料的配方时,他的回答却玄虚得很,甚至有点恶作剧——“哦,也就是一点点面粉加发酵粉而已。“ 视频地址: http://www.tudou.com/programs/view/IIALUd0_swo/
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[转载]ENCODE DNase I Hypersensitivity,
genesquared 2012-11-27 14:19
ENCODE experiments http://genome.ucsc.edu/ENCODE/protocols/dataStandards/ChIP_DNase_FAIRE_DNAme_v2_2010.pdf Requirements for a DNase-seq and FAIRE-seq experiments Following an analysis of deeply sequenced DNase-seq and FAIRE-seq datasets, we suggest the following requirements. Controls Deeply sequenced reference samples such as input DNA exhibit uneven coverage. For example, peaks in promoters have been observed in some input samples, perhaps as the result of endogenous nuclease activity, or sonication and solubility biases (Auerbach et al., 2009, Giresi, et al., 2007). These promoter peaks likely represent real open chromatin and therefore should not be excluded from analysis. Other reasons for uneven input signals are copy number variation, and under-representation of repetitive DNA sequence in the reference genome. However, the impact of uneven coverage in input chromatin is limited. Advances in computational methods to correct for such features are being incorporated into the analysis. For example, using reads that are not in peaks, the DNase/FAIRE-seq data itself can be used to identify regions that exhibit copy number variations in samples. In addition, the true signals from FAIRE and DNase exhibit a unique structure that differs greatly from the type of signal produced by uneven input coverage. While it is always preferable to have deeply sequenced matched input for each sample, for DNase and FAIRE experiments, input sequencing from every cell type is not required. Sequencing Depth. Since DNase and FAIRE data represent a continuum of the degree to which chromatin is “open”, achieving true saturation may not be practical, or even definable. However, a decision must be made regarding adequate level of coverage. We propose that the optimal depth of sequencing be guided by our ability to identify regions that were also identified by other methods such as tiled arrays (Giresi 2009, Giresi et al., 2007, Sabo et al., 2006, Crawford et al., 2006), qPCR (Boyle et al., Cell 2008), or Southern blots (Sabo et al., 2006). For DNase and FAIRE this is typically 20-50 million reads. In general, it is best to sequence replicates to a similar depth. We have found that similar sequence depth matters most for replicates on the lower end of the recommended read depth. Number of Replicates. By definition, at least two biological replicates are necessary to ensure that the experiment is reproducible. Experiments completed to date indicate that there will not be a significant gain in information beyond two biological replicates, when they are in reasonable agreement. For DNase, we recommend that at least 80% of the top 50,000 peaks in one replicate are detected in the top 100,000 peaks in the second replicate, and vice-versa. For FAIRE, we recommend that at least 50% of the top 50,000 peaks in one replicate are detected in the top 200,000 peaks in the second replicate, and vice-versa. Scoring. ChIP, DNase, FAIRE, DNAme standards July 2011 1 Similar to ChIP-seq, a variety of peak calling methods can be used to score peak intensity, including Fseq (Boyle et al., Bioinformatics 2008), Hotspot, and others. The following suggestions can be used to identify a statistical significant cutoff by one of the following methods. 1) Fitting the data to a gamma distribution to calculate p-values, and contiguous regions where p-values were below a 0.05 threshold can be considered significant. 2) Irreproducible discovery rate (IDR) analysis described in section IIb above. ================= ENCODE - Wikipedia, the free encyclopedia en.wikipedia.org/wiki/ENCODE The primary assays used in ENCODE are ChIP-seq, DNase I Hypersensitivity, RNA-seq, and assays of DNA methylation. ======================== Cell, tissue or DNA sample: Cell line or tissue used as the source of experimental material. cell Tier Description Lineage Tissue Karyotype Sex Documents Vendor ID Term ID Label HEEpiC 3 esophageal epithelial cells endoderm epithelium U Stam ScienCell 2700 HEEpiC http://main.genome-browser.bx.psu.edu/cgi-bin/hgEncodeVocab?ra=encode%2Fcv.raterm=%22HEEpiC%22
个人分类: ENCODE|2181 次阅读|0 个评论
Chitin as a composite material
acmuser 2012-10-19 09:51
Materials science of chitin: Arthropods have adapted to every habitat on earth, adaptive material Building block: Organic matric, Inorganic nano-particles, Cuticle Homogenization, porous media, topological distribution X-ray wide angle diffraction, lobster Hierarchical modeling of stiffness starting from ab initio
个人分类: Materials|2756 次阅读|0 个评论
[转载]Von Mises stress
thomaschoo2011 2012-8-4 21:50
Maximum Principle Stress Theory - According to this theory failure will occur when the maximum principal stress in a system reaches the value of the maximum stress at elastic limit in simple tension. This theory is approximately correct for cast iron and brittle materials generally. Source: http://www.roymech.co.uk/Useful_Tabl...cs/stress.html Von Mises Stress (Distortion Energy Theory) - This theory proposes that the total strain energy can be separated into two components: the volumetric (hydrostatic) strain energy and the shape (distortion or shear) strain energy. It is proposed that yield occurs when the distortion component exceeds that at the yield point for a simple tensile test. Source: http://en.wikipedia.org/wiki/Yield_(engineering ) More information on Von Mises Stress can be found here . General information on solid mechanics can be found here . The beauty of Von Mises stress is that in the real world "everything" fails by shear. That's why it has emerged as the favorite failure theory. Having said that, the world of material failure is highly stochastic - subject to statistical variation. So as good as the theory is, you still need significant factors of safety if you don't want your project to come crashing down. You find Von Mises stress from the principle stresses by using a big ol gnarly equation or three. It is always a smaller value than maximum principle stress (by definition) BUT it is aligned in the direction that has to support the maximum shear load. This can be very helpful in design.
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[转载]ANSYS在荷载步之间改变材料属性例子
jnu2009 2012-6-25 01:52
! ANSYS 在荷载步之间改变材料属性例子 ! Example of modify material between load steps in ANSYS ! 材料泊松比随荷载增加而逐步增大 FINISH /CLEAR /PREP7 FORCE=1. !初始荷载 FC=30. !极限荷载 NSTEP=30 !加载步数 EMU0=0.2 !初始泊松比为0.2 EMUU=0.499 !最终泊松比为0.499 SVM=0. !VON MISES应力 !* ET,1,SOLID45 !* !* MP,EX,1,30E3 MP,NUXY,1,EMU0 !建立模型 BLC4,0,0,100,100,100 ESIZE,100,0, VMESH,ALL /SOLU !输出RESTART文件 RESCONTRL,DEFINE,ALL,-1,1 NLGEOM,1 D,2,ALL D,4,UY D,5,UY D,6,UY D,5,UX FINISH SAVE !分步加载 *DO,I,1,NSTEP FINISH /SOLU !使用重启动功能 *IF,I,GT,1,THEN ANTYPE,,REST, PARRES, CHANGE , PARAM, TXT, *ENDIF ! 如果荷载超过强度的50%,则线性提高泊松比 *IF,SVM,GE,FC*0.5,THEN MP,EX,1,30E3 MP,NUXY,1,EMU0+(EMUU-EMU0)*(SVM/FC-0.5)/0.5 *ENDIF !得到下一步荷载 FORCE=FORCE+1 !加载 SFE,ALL,4,PRES, , FORCE, , , SOLVE FINISH /POST1 !得到VON MISES应力 *GET,SVM,ELEM,1,NMISC, 4 PARSAV, ALL, PARAM, TXT, FINISH *ENDDO
3582 次阅读|0 个评论
dyna混凝土材料
xiongzhihua 2012-5-31 10:39
material 159(混凝土) cscm-concrete mplot选项用于指定损伤选项 选择*database-extent-binary中neiph的对应数字,输出指定实体单元的损伤指数 neips的对应数输出指定壳单元的损伤指数
3501 次阅读|0 个评论
[转载][转]统计学读物推荐
taojb 2012-5-2 15:07
统计学读物推荐 http://bona.ustc.edu.cn/yonglee/go.php/archiver/3/2009/1/5/ 一、统计学基础部分 1、《统计学》 David Freedman等著,魏宗舒,施锡铨等译 中国统计出版社 据说是统计思想讲得最好的一本书,读了部分章节,受益很多。整本书几乎没有公式,但是讲到了统计思想的精髓。 2、《Mind on statistics(英文版)》 机械工业出版社 只需要高中的数学水平,统计的扫盲书。有一句话影响很深: Mathematics as to statistics is something like hammer, nails, wood as to a house, it's just the material and tools but not the house itself。 3、《Mathematical Statistics and Data Analysis(英文版.第二版)》 机械工业出版社 看了就发现和国内的数理统计树有明显的不同。这本书理念很好,讲了很多新的东西,把很热门的Bootstrap方法和传统统计在一起讲了。Amazon上有书评。 4、《Business Statistics a decision making approach(影印版)》 中国统计出版社 在实务中很实用的东西,虽然往往为数理统计的老师所不屑 5、《Understanding Statistics in the behavioral science(影印版)》 中国统计出版社 和上面那本是一个系列的。老外的书都挺有意思的 6、《探索性数据分析》中国统计出版社 和第一本是一个系列的。大家好好看看陈希儒老先生做的序,可以说是对中国数理统计的一种反思。   二、回归部分 1、《应用线性回归》 中国统计出版社 还是著名的蓝皮书系列,有一定的深度,道理讲得挺透的。看看里面对于偏回归系数的说明,绝对是大开眼界啊!非常精彩的书 2、《Regression Analysis by example (3rd Ed影印版)》 这是偶第一本从头到底读完的原版统计书,太好看了。那张虚拟变量写得比小说都吸引人。没什么推导,甚至说“假定你有统计软件可以算出结果”,主要就是将分 析,怎么看图,怎么看结果。看完才觉得回归真得很好玩 3、《Logistics回归模型——方法与应用》 王济川 郭志刚 高等教育出版社 不多的国内的经典统计教材。两位都是社会学出身,不重推导重应用。每章都有详细的SAS和SPSS程序和输出的分析。两位估计洋墨水喝得比较多,中文写的书,但是明显老外写书的风格   三、多元 1、《应用多元分析(第二版)》 王学民 上海财经大学出版社 现在好像就是用的这本书,但是请注意,这本书的亮点不是推导,而是后面和SAS结合的部分,以及其中的一些想法(比如P99 n对假设检验的影响,绝对是统计的感觉,不是推推公式就能感觉到的)。这是一本国内很好的多元统计教材。 2、《Analyzing Multivariate Data(英文版)》 Lattin等著 机械工业出版社 这本书有很多直观的感觉和解释,非常有意思。对数学要求不高,证明也不够好,但的确是“统计书”,不是数学书。 3、《Applied Multivariate Statistical Analysis (5th Ed影印版)》 Johnson Wichem 著 中国统计出版社 个人认为是国内能买到的最好的多元统计书了。Amazon 上有人评论,评价很高的。不过据王学民老师说,这本书的证明还是有不太清楚,老外实务可以,证明实在不咋的,呵呵   四、时间序列 1、《商务和经济预测中的时间序列模型》 弗朗西斯著 Amazon 上五星推荐的书,讲了很多很新的东西也非常实用。我看完才知道,原来时间序列不知有AR(1) MA(1)啊,哈 2、《Forecasting and Time Series an applied approach(third edition)》 Bowerman Connell 著 本书的主讲Box-Jenkins(ARIMA)方法,附上了SAS和Minitab程序   五、抽样 1、《抽样技术》 科克伦著 张尧庭译 绝对是该领域最权威,最经典的书了。王学民老师说:这本书不是那么好懂的,数学系的人,就算看得懂每个公式,未必能懂它的意思(不是数学系的人,还是别看了吧)。 2、《Sampling: Design and Analysis(影印版)》 Lohr著 中国统计出版社 讲了很多很新的方法,无应答,非抽样误差,再抽样,都有讨论。也很不好懂,当时偶是和《Advance Microeconomic Theory》一起看的,后者被许多人认为是梦魇,但是和前者一比,好懂多了。主要还是理念上的差距。我们的统计思想和数据感觉有待加强啊   六、软件及其他 1、《SAS软件与应用统计分析》 王吉利 张尧庭 主编 好书啊!!!! 2、《SAS V8基础教程》 汪嘉冈编 中国统计出版社 主要讲编程,没怎么讲统计。如果想加强SAS编程可以考虑。 3、《SPSS11统计分析教程(基础篇)(高级篇)》 张文彤 北京希望出版社 当初第一次看这本书,发现怎么几乎都看不懂,尤其是高级篇,现在终于搞清楚了:) 4、《金融市场的统计分析》 张尧庭著 广西师范大学出版社 张老师到底是大家,薄薄的一本书,言简意赅,把主要的金融模型都讲清楚了。看完会发现,分析金融单单数学模型还是纸上谈兵,必须加上统计模型和统计方法才能真正应用。本书用的多元统计(代数知识)比较深。
2353 次阅读|0 个评论
[转载]Science Blog 2012年04月28日 20:12 (星期六)
xupeiyang 2012-4-28 21:16
http://scienceblog.com/ New graphene-based material could revolutionize electronics industry Can Nature’s Beauty Lift Citizens From Poverty? Adding wrinkles and folds boosts solar efficiency by 47% Analytic thinking can decrease religious belief: UBC study Genes shed light on spread of agriculture in Stone Age Sea change in salinity heralds shift in rainfall New form of intellectual disability discovered Poverty Undercuts Otherwise Major Gains in HIV Treatment Built-in GPS in birds in tune with Earth’s magnetic field Polluting China for the sake of economic growth Combating global disease with a cell phone, Google Maps and a lot of ingenuity Scorpion sons suffers from dad’s antibiotics Doubling the information from the double helix ‘Warming hole’ delayed climate change over eastern United States Boron Nanotubes Show Potential in Cancer Treatment
个人分类: 科学博客|1943 次阅读|0 个评论
新作品-Journal of Materials Chemistry封面
scimage 2012-4-25 15:11
新作品-Journal of Materials Chemistry封面
中科院过程工程所李建强副研究员发表Journal of Materials Chemistry封面文章(2012, 19, DOI:10.1039/C2JM30621B),论文题为“Amorphous titanate nanospheres fabricated using contactless phase change process”。 链接 http://pubs.rsc.org/en/journals/journalissues/jm#!issueid=jm022019type=currentissnprint=0959-9428 http://www.ipe.ac.cn/xwdt/ttxw/201204/t20120424_3562359.html
个人分类: 发表作品|6228 次阅读|0 个评论
[转载]王婆卖瓜--给我学生的新闻采访转发一下,以资鼓励
郑玉峰 2012-2-25 17:39
http://en.coe.pku.edu.cn/news/208.htm A Sr-based bulk metallic glass may become good candidate for biodegradable implant material
1972 次阅读|0 个评论
Nature material杂志处理学术观点争议的方式值得深思和学习
热度 2 sulihong 2011-12-14 21:43
按照我们多年纳米粉体材料的研究结果推论,去年我指出单层石墨烯在常温常压下,存在尺寸稳定性问题,曾先在其他平台提出,后来在科学网实名制博客上又再次提出.我将相关论文也同时发给了nature material杂志和个别诺奖委员会的成员.一开始 Nature material杂志编辑Dr Fabio Pulizzi先生对我的论文写了拒稿信,我也给他回了辩驳信,并指出石墨烯是一个具有开创意义的伟大科学成果,是值得诺奖称号的,但是美玉也有瑕疵这样的意思,为了引起国内外研究者对于石墨烯尺寸稳定性问题的重视,避免做一些盲目的研究工作,我根据已有的纳米粉体研究理论作了计算写了此文。Dr Fabio Pulizzi对此又回了一封信,当然他很客气,也讲了即使诺奖得主的文章他们也会拒稿的话,考虑到此问题的争议,建议先投其他场合.针对The rise of graphene 一文,我在nature网站上在早前已注册为博主,所以对此文也发表了相应英文评论,指出了对于单层石墨烯的很多宏观应用预测存在问题,是和科学网一样只谈了结论,未涉及具体计算分析过程。出乎我的意料,nature网站在确认我的注册邮箱后,这一评论很快发表在相关nature网站文献下方.评论中我指出该评论在中国科学网和去年学问网等中文网站已经公开用中文讲过。我想英国杂志编辑处理此事还是很明智和开放的,当其对于一个问题自己也吃不准时,他很谨慎,但是对于不同意见他又网开一面,这是自由民主精神的真正体现,后面Nature还在剑桥召开了会议,处理科学问题有时一时看不清的情况下,Nature的编辑起了表率作用,因为有时科学问题会因为专业的问题一时很难分辨对错,编辑也不一定有相应的专业水平,但是这时先将不同观点自由发表,然后再比较和验证就可以很快分出对错和水平高低。这也是网络时代得一个得以快速公开发表观点的好处,最新不同观点快速让大家共知。 因为石墨烯尺寸稳定性问题论文已经公开发表,应诺奖得主kroto的邀请,我根据论文内容,已经编辑了一个类似公开课的视频报告对此问题作出分析,但是因为软件平台中美无法共享的原因,原本前面提到大家早前就可以见到,可能还得等一段时间才可以在网上免费看到。
个人分类: 石墨烯|6759 次阅读|3 个评论
[转载]Science Blog 2011年11月30日 19:52 (星期三)
xupeiyang 2011-11-30 20:41
见 http://scienceblog.com/ 3-D printer makes bone-like material Abstinence education does not lead to abstinent behavior Violent video games alter brain function in young men Eating fish reduces risk of Alzheimer’s disease Presumed consent not answer to organ shortage Herbicide spurs reproductive problems in many animals Antibiotics in Swine Feed Encourage Gene Exchange Growing Knowledge in Space FLEX-ible Insight Into Flame Behavior Bumpy implants fool the immune system in a good way Honest overconfidence may lead to male domination in the C-suite Creative types more likely to cheat Virus Kills Breast Cancer Cells in Laboratory Cancer’s sweet tooth may be its weak link Soccer ‘heading’ can make you loopy Protein, not sugar beats the 3 pm slump Diet, environment leave their prints on the heart
个人分类: 科学博客|1433 次阅读|0 个评论
[C2010-2] Modeling of hard turning: effect of tool geometry
melius 2010-9-30 23:15
2010, Proceedings of the 36th International MATADOR Conference , 6 , Pages 227-230 Modeling of hard turning: effect of tool geometry on cutting force Z.Y. Shi, Z.Q. Liu, C.M. Cao Abstract. Hard machining for manufacturing dies and molds offers various advantages, but the productivity is often limited, mainly by tool life. This study investigates the influence of cutting tool geometry on the cutting forces by utilizing finite element simulations (FEM). A set of cutting conditions in numerical FEM were conducted by using four different shaped cutting tools and axial force, radial force and tangential force were found. The results of this research help to explain the conclusion that for cylindrical control, the equation of the actual geometry of the S-shaped inserts involved in cutting is a sphere; that of C-shaped, D-shaped and Tshaped inserts involved in cutting is an ellipsoid with different lengths of short-half axis. Keywords : tool geometry, material flow stress, short-half-axial, cutting force FULL TEXT
个人分类: [Publications] 论文全文|3418 次阅读|0 个评论
Course material of BioC 2010
jianfengmao 2010-7-31 09:15
这是bioconductor 2010 会议的培训教程相关的文件。内容几乎涵盖了主流生物信息操作的所有内容: http://www.bioconductor.org/help/course-materials/2010/BioC2010/ -------------------------------------------- Introduction to R Introduction to R First Steps with R Getting Started with Lattice Install command: source(http://bioconductor.org/course-packages/install-HTSTrack.R) Efficient R Programming Efficient R Programming Efficient R Programming Exercises Install command: source(http://bioconductor.org/course-packages/install-EfficientR.R) Transcript centric annotations and high-throughput sequencing Using the GenomicFeatures package Genomic Features and Sequences in Bioconductor Install command: source(http://bioconductor.org/course-packages/install-HTSTrack.R) Bioconductor tools for input and quality assessment of high-throughput sequence data Four exercises using Bioconductor Sequence Infrastructure Exercises: Reading and Manipulating Short Reads Exercises: An Introduction to Rsamtools Exercises: A Simple ChIP-Seq Workflow Exercises: A Simple RNA-seq Use Case Install command: source(http://bioconductor.org/course-packages/install-HTSTrack.R) Analyzing and Visualizing ChIP-seq Data Some Basic Analysis of ChIP-Seq Data Analysis of genome-scale count data in Bioconductor Robinson_McCarthy_BioC2010.zip Gene centric annotations Using Annotations in Bioconductor Install command: source(http://bioconductor.org/course-packages/install-HTSTrack.R) Analyzing flow cytometry data in Bioconductor Brief Intro to R for Flow Packages Users Analyzing flow cytometry data in Bioconductor Flow cytometry analysis Lab Flow cytometry analysis Lab Solutions Automated Gating and Metaclustering for Flow Cytometry Data Automated Gating and Metaclustering for Flow Cytometry Data (white paper)
个人分类: R and Statistics|3122 次阅读|0 个评论
How Zhang electronegativity predicts raw material?
baijiab 2010-2-16 10:25
Zhang electronegativity(27): How predicts raw material for InN nanocrystals? Changzheng et al. presented an effective synthetic protocol to produce high quality InN nanocrystals using indium iodide (InI 3 ) . There has been a question: Is it possible for high-quality InN to be synthesized from indium halides? The positive answer will be found in the present work using InI 3 . Concerning the four kinds of indium halides, InF 3 , InCl 3 , InBr 3 , and InI 3 ,.InI 3 has a stronger covalent ability than the other three. As is known, when two atoms form a chemical bond, the greater the difference between the electronegativity values for the two atoms, the more ionic the chemical bond between them (Zhang, 1982) According to Zhang electronegativitymodel which is based on the quantum mechanical electron configurations, n*(I z /R) ½ /r c 2 , both the effective principle quantum number, n*,and the covalent radius, r c, for halogens are increasedin the order: FClBrI .The polarizability of the anion will be ralated to its softness, that is, to the deformability of its electron cloud. Both increasing n* and r c will cause this cloud to be lessunder the influence of the nuclear charge of the anion and more easily influenced by the charge on thecation. Soconcerning the four kinds of indium halides, InI 3 is more covalent than the other three. Soit ispossible for high-quality InN to be synthesized from indium halides (InI 3 ) . Wu. Changzheng, Li. Tanwei, Lei. Lanyu, Hu. Shuangquan, Liu. Yi and Xie. Yi, New J. Chem., 2005, 29, 1610. Y. Zhang,1982, Inorg Chem., 1982, 21, 3886;3889. Y. Zhang,, in Introduction to Modern Inorganic Chemistry ( Eds: K. M. Mackay, R. A. Mackay, W. Henderson , ) 6thed., Nelson Thornes, United Kingdom,2002, pp 53-54).
个人分类: 科研成果|1237 次阅读|0 个评论

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