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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|10625 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|9132 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|7320 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|3365 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

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