http://semiaccurate.com/2010/02/25/tsmc-start-22nm-trial-runs-2012/ TSMC to start 22nm trial runs in 201228nm is slightly delayed Feb 25, 2010 by Lars-Gran Nilsson Share on digg Share on reddit Share on hackernews Share on email More Sharing Services THE MAKING OF computer chips is a complicated business, not only for the chip designers but also for the foundries. TSMC’s senior VP of RD, Shang-Yi Chiang has announced that the company is getting ready for 22nm trial runs towards the end of 2012. According to Digitimes , he also revealed information about TSMC’s 28nm progress. The company is getting ready to begin trial production on one of its nodes at the end of June. This means that we might start seeing real 28nm products sometime towards the end of the year, but this would be limited to TSMC’s low power silicon oxynitride process. However, TSMC is planning to kick off its 28nm high performance application node using its high-k metal gate process for trial production in September, and this will then be followed by the low power version trial production in December. This means that TSMC is at least one quarter late, as the company issued a press release in August of last year stating that it was planning to start its first 28nm “risk production” of its low power silicon oxynitride process in the first quarter of 2010, while the high-k metal gate process was scheduled for the second quarter. Altera, Fujitsu Microelectronics, Qualcomm and Xilinx are said to be TSMC’s first 28nm customers. We would expect many others to follow, although TSMC isn’t the only company getting ready to start 28nm production this year and it might be seeing some competition from GlobalFoundries, as it is also getting ready with its own 28nm process and should kick that off about the same time as TSMC moves to its high-k metal gate process. As for the 22nm process, not much else was said, although the initial runs will be on the high performance process node moving to the low power version by early 2013. Considering the trouble TSMC has had with its 40nm process and the slight delay in kicking off the 28nm production, we won’t place any bets on its 22nm process coming in on time. On a side note, TSMC claims that it’s currently able to churn out 80,000 12-inch 40nm wafers per quarter, although it expects to double this by the end of this year. This is all done in Fab 12, but the company is planning to add a second 40nm production facility called Fab 14 in order to be able to meet increased demand. S|A
http://www.businesswire.com/news/home/20120315005089/en/3M-Invests-Silicon-Anode-Lithium-Ion-Batteries 3M Invests in Novel Silicon Anode for Lithium Ion Batteries 3M Research to Pioneer the Future; Company Expands Manufacturing ST. PAUL, Minn.--( BUSINESS WIRE )--3M, the leading United States (US) battery materials supplier, is investing in research and manufacturing of novel Silicon (Si) based 3M anode materials. The technology enables advanced batteries for reliable power that is required to keep up with the global increase of mobile societies and electric vehicles. “Our investment into research and development, coupled with our experience and portfolio of more than 40 core technologies – including nanotechnology, adhesives, precision coating, fluoromaterials – give us the tools and confidence in our ability to develop next-generation materials for better cells.” 3M was recently granted another U.S. patent, 8,071,238 for its Silicon anode compositions that can increase cell capacity by over 40 percent when matched with high-energy battery cathodes. The company has invested resources and expertise toward commercialization of battery technology for the past 15 years. 3M’s investments into the high-energy metal based anode for lithium ion batteries include matching a recent U.S. Department of Energy (DOE) grant for $4.6 million as part of efforts to build more energy-efficient vehicles. The research will help to develop and integrate new cell materials that will make a transformative change in energy density and in cost in lithium ion batteries used in electric vehicles. Especially critical to the project success is 3M’s Si based anode material. The 3M investment in research and development includes putting in 3M’s best battery materials technology for cathode, anode and battery electrolyte additives into the project. “3M has a proven track record of being an innovator in battery materials, and we are committed to supporting the growing U.S. and global lithium ion battery industry,” said Chris Milker, business development manager for 3M Electronic Markets Materials Division. “Our investment into research and development, coupled with our experience and portfolio of more than 40 core technologies – including nanotechnology, adhesives, precision coating, fluoromaterials – give us the tools and confidence in our ability to develop next-generation materials for better cells.” The new research efforts deepen 3M’s rich history of sustainability and in making a global impact through innovation. The research expands upon the company’s long-standing initiatives in the battery market to commercialize battery technology for electric vehicles and consumer electronics. In addition to its investment in robust research and development, 3M recently completed the first phase of Silicon anode manufacturing capacity expansion in early 2012 in its Cottage Grove, Minn., facility. The expansion included the installation of large-scale manufacturing equipment specialized to 3M and its proprietary anode chemistry. The U.S.-based facility will provide Si anode material to 3M’s global battery customers. 3M is well ahead of its time in pioneering research for lithium ion battery materials, which began in the 1990s for early auto market applications. Lithium ion batteries are a common source of power for laptop computers and electronic handheld devices and emerged as a power source for battery powered hand tools. In addition, 3M lithium ion technology is emerging for transport applications including the hybrid vehicles market. Because of the company’s consistent investment into the industry, 3M has uniquely developed three critical battery materials used in lithium ion batteries. These include silicon anode chemistry, novel cathode technologies (nickel, manganese, cobalt) and electrolyte (salts and additives). Besides battery cathode, anode and electrolyte technologies, 3M also offers tapes and adhesives for assembly of consumer electronics and fluids to manage heat during the manufacture of electronic devices. Using its broad portfolio of battery materials, 3M has the unique capability to integrate these materials to solve customers’ battery problems. For more information about 3M battery materials visit www.3m.com/batterymaterials About 3M 3M captures the spark of new ideas and transforms them into thousands of ingenious products. Our culture of creative collaboration inspires a never-ending stream of powerful technologies that make life better. 3M is the innovation company that never stops inventing. With $30 billion in sales, 3M employs 84,000 people worldwide and has operations in more than 65 countries. For more information, visit www.3M.com or follow @3MNews on Twitter.
SÃO CARLOS, BRAZIL, FEBRUARY 04-07, 2013 Organizing committee: Alexandre Nolasco de Carvalho (ICMC/USP) Ederson Moreira dos Santos (ICMC/USP) Ma To Fu (ICMC/USP) Márcia Cristina Anderson Braz Federson (ICMC/USP) Marcio Fuzeto Gameiro (ICMC/USP) Sérgio Henrique Monari Soares (ICMC/USP) Scientific committee: Alexandre Nolasco de Carvalho (Universidade de São Paulo/Brazil) Carlos Rocha (Instituto Superior Técnico/Portugal) George R. Sell (University of Minnesota/USA) Jianhong Wu (York University/Canada) Joan Solà-Morales (Universitat Politècnica de Catalunya/Spain) John Mallet-Paret (Brown University/USA) José M. Arrieta (Universidad Complutense de Madrid/Spain) Konstantin Mischaikow (Rutgers University/USA) Marco Antonio Teixeira (Universidade Estadual de Campinas/Brazil) Orlando Francisco Lopes (Universidade de São Paulo/Brazil) Peter Kloeden (Goethe University Frankfurt/Germany) Sérgio Henrique Monari Soares (Universidade de São Paulo/Brazil) Shui-Nee Chow (Georgia Tech/USA) Tomás Caraballo (Universidade de Sevilla/Spain) Waldyr M. Oliva (Instituto Superior Técnico/Portugal and Universidade de São Paulo/Brazil) Yingfei Yi (Georgia Tech/USA)
http://www.03964.com/read/7c7f4d52e250dac51ed82edd.html A Beginner’s Guide to Materials Studio and DFT Calculations with Castep P. Hasnip (pjh503@york.ac.uk) September 18, 2007 Materials Studio collects all of its les into “Projects”. We’ll start by creating a new project. 1 Now we’ve got a blank project, and we want to dene a simulation cell to perform a Castep calculation on. First we add a “3D Atomistic document”. 2 3 We’re going to start by simulating an eight atom silicon FCC cell, so rename the le accordingly. First we’ll create the unit cell. 4 5 The default is space group P1, i.e. no symmetry. Silicon has the diamond structure (space group FD3M). By telling Materials Studio this symmetry it will automatically apply it to the atoms, thus generating atoms at the symmetry points. 6 Now to add the lattice constant – click on the “Lattice” tab near the top of the “Build Crystal” window. Since FD3M is cubic (FCC) Materials Studio knows only a has to be set, and the angles and other lattice constants are greyed-out. Enter “5.4”, and then click on “Build”. 7 Now we’ll add a single silicon atom... 8 Add a silicon atom at the origin, by changing the “element” from its default and clicking “Add”. By default the co-ordinates are in fractionals, but you can change this on the “Options” tab. 9 Since we’d already told Materials Studio what the symmetry of the crystal was, our single silicon atom is replicated at each symmetry site and we now have a shiny new eight-atom silicon unit cell. You can rotate the view by holding down the left or right mouse button and dragging, or move it by holding down the middle button. Use the mouse wheel, or both the left and right buttons simultaneously, to zoom in and out. 10 By default the atoms are shown as little crosses with lines for bonds, and silicon atoms are coloured brownish orange. You can always change this if you don’t like it. The “bonds” are just guesses made by Materials Studio based on the element’s typical bond-lengths. We’re now ready to run Castep to nd the groundstate charge density. Click on the Castep icon, which is a set of three wavy lines (to represent plane-waves), and select “Calculation”. 11 Materials Studio oers a high-level interface to Castep, with cut-o energy, k-point sampling, convergence tolerances etc. all set by the single setting “Quality”. We’ll look at how to specify these things later, but for now we’ll just do a very quick, rough calculation of the groundstate energy and density of our cell. Make sure the task is “Energy”, and select “Coarse” for quality, and “LDA” for the XC functional. 12 If you want to run your calculations on Lagavulin (or anywhere else you have Castep available) then you’ll want to click “Files” in the Castep window. Simply select “Save Files” to save the cell and param les. By default these are written to a folder in “My Documents” called “Materials Studio Projects” but be warned – cell les are hidden les, and you won’t be able to see them unless you tell Windows you want to view “Hidden and System Files” for that folder. 13 If you want to run Castep on the PC you’re using, you just need to click “Run” on the Castep window. You should see this window appear: Materials Studio is telling you that your system isn’t actually the primitive unit cell, and it’s oering to convert it to the primitive cell for you. For now choose “No”. Castep runs via a “Gateway”, which might be on your local computer or on a remote machine. This Gateway handles Materials Studio’s requests to run calculations and copies the les to and from the “Castep Server”. 14 Since the Gateway is actually a modied web server it is sensible to enforce some security measures. If your Gateway is password-protected (recommended), you’ll need to enter your Gateway username and password (which are not necessarily the same as your Windows ones). 15 When the Castep job is running you will see its job ID and other details appear in the “job explorer” window. You can check its status from here, although our crude silicon calculation is so quick you probably won’t have time now. 16 Castep reports back when it is nished, and Materials Studio copies the results of the calculation back. The .castep le is opened automatically so you can see what happened in the calculation. The main text output le from castep is displayed in Materials Studio. It starts with a welcome banner, then a summary of the parameters and cell that were used for the calculation. 17 After that, there is a summary of the electronic energy minimisation which shows the iterations Castep performed trying to nd the groundstate density that was consistent with the Kohn-Sham potential. This is the so-called “self-consistent eld” or “SCF” condition, and each line is tagged with “– SCF” so you can nd them easily. ------------------------------------------------------------------------ -- SCF SCF loop Energy Fermi Energy gain Timer -- SCF energy per atom (sec) -- SCF ------------------------------------------------------------------------ -- SCF Initial 2.11973065E+002 4.85767974E+001 0.61 -- SCF Warning: There are no empty bands for at least one kpoint and spin; this may slow the convergence and/or lead to an inaccurate groundstate. If this warning persists, you should consider increasing nextra_bands and/or reducing smearing_width in the param file. Recommend using nextra_bands of 7 to 15. 1 -7.22277610E+002 1.02240172E+001 1.16781334E+002 0.88 2 -8.53739673E+002 6.90687627E+000 1.64327579E+001 1.12 3 -8.62681938E+002 6.65069587E+000 1.11778315E+000 1.39 4 -8.62169156E+002 6.69758744E+000 -6.40977798E-002 1.72 5 -8.61880601E+002 6.78641872E+000 -3.60693332E-002 2.06 6 -8.61884687E+002 6.79549194E+000 5.10791707E-004 2.44 7 -8.61884645E+002 6.79874201E+000 -5.25062118E-006 2.75 8 -8.61884639E+002 6.79822409E+000 -8.40318139E-007 2.98 -----------------------------------------------------------------------Final energy, E = -861.8846385210 Final free energy (E-TS) = -861.8846385210 (energies not corrected for finite basis set) NB est. 0K energy (E-0.5TS) = -861.8846385210 eV eV ---------SCF SCF SCF SCF SCF SCF SCF SCF SCF eV 18 We’ll look at this output in more detail later. For now just note that the energy converges fairly rapidly to about 861.88eV, but that the energy is sometimes higher than this and sometimes lower. Let’s have a look at the calculated groundstate charge density. 19 The Castep Analysis window lets you look at various properties you might have calculated during the Castep job. Select “Electron density”. Notice there’s a “Save” button which lets you write the density out to a text le so you can analyse it with another program. We don’t need this now, so just click on “Import”. 20 WARNING: amongst the properties listed here are “Band structure” and “Density of states”. If you select one of these from an energy calculation, Materials Studio will plot the band structure/DOS, but it takes the eigenvalues and k-points from the SCF calculation, not a proper band structure or DOS calculation. 21 By default an isosurface of the charge density is overlaid on your simulation cell. 22 To change the isosurface Materials Studio is plotting, you need to change the “Display style”. Either use the right mouse button when the cursor is over the simulation cell, or use the drop-down menus: Notice that this is also the place you need to come to if you want to change the atom colouring or representation (e.g. from crosses and lines to ball-and-stick). 23 24 Try changing the value of the isosurface your plotting, to see where the charge density is greatest and least. 25 Hopefully you’ve now got the hang of the basic interface. Go back to your simulation system and open up the Castep window again. This time select the “Electronic” tab. 26 This tab has a little more detail, and actually tells you what cut-o energy and k-point grid Castep will use for the given settings. Nevertheless we usually want ner control than this, so click on “More”. 27 Now at last we have four tabs that let us set some of the convergence parameters directly. 28 Basis Allows you to set a cut-o energy, as well as control the nite basis set correction. SCF Sets the convergence tolerance for the groundstate electronic energy minimisation, as well as details of the algorithm used. k-points Controls the Brillouin zone sampling directly. You can either specify a grid, or a desired separation between k-points. Potentials Allows you to change the pseudopotentials used for the elements in your system. In fact if you double-click on your param le in the project window you can edit it directly, but we’ll restrict ourselves to using the GUI for now. 29 Before we continue, here’s a quick recap of the basic approximations we use when performing practical DFT calculations: Exchange-correlation (XC) Functional - we don’t know the exact density functional, so we have to approximate it. There are two common approximations: – LDA - the Local Density Approximation assumes the XC at any point is the same as that of a homogeneous electron gas with the same density. – PBE - this is a “Generalised Gradient Approximation” (GGA) and includes some of the eects of the gradient of the density. You might think PBE is always better than LDA, but that’s not true, both are approximations. You should try each one before deciding which is appropriate to your research project. Basis set - the wavefunction is represented by an expansion in a plane-wave basis. In theory the basis set required is innite, but since the energy converges rapidly with basis set size we can safely truncate the expansion. The size of the basis set is controlled by the cut-o energy. Brillouin zone sampling - calculating the energy terms requires us to integrate quantities over the whole of the rst Brillouin zone. In practice we approximate these integrals by sums over a discrete set of k-points. 30 Exercise 1. Using the Basis and k-points tabs, investigate how the calculated energy of the simulation cell converges with increased cut-o energy, and increased k-point sampling density. Why do they show these trends Exercise 2. Create a unit cell for bulk aluminium. Aluminium is also FCC, with spacegroup FM-3M and a lattice constant of about 4.05 . Investigate convergence of the calcuA lated aluminium energy with respect to cut-o energy and k-point sampling. Compare the total electronic energy with the total electronic free energy for both silicon and aluminium. Why do they dier for one and not the other 31 During your calculations you might see a warning like this in the castep output: Warning: There are no empty bands for at least one kpoint and spin; this may slow the convergence and/or lead to an inaccurate groundstate. If this warning persists, you should consider increasing nextra_bands and/or reducing smearing_width in the param file. Recommend using nextra_bands of 7 to 15. Recall that the electronic energy minimisation algorithms need to include the entire set of occupied states. If the highest state you’ve included in the calculation is occupied, Castep has no way of knowing whether the next state should also have been occupied, and so recommends you include more bands. Only when the highest state is unoccupied can Castep be sure that all of the occupied bands have been included. You can change the number of “empty” bands included in the Castep calculation from the SCF tab of the Castep Electronic Options window of Materials Studio, or just by editing the param le directly. 32 Exercise 3. Repeat the energy convergence test with respect to k-point sampling for aluminium, but using a smearing of 0.5eV (see the SCF tab; the default is 0.1eV). Feel free to use either Materials Studio, or direct editing of the param and cell les. You will probably need to increase the number of empty bands to 8 or so. Compare the results with the previous aluminium calculations. Why the dierence Choose a particular k-point sampling density and look at the nal total energy, free energy, and estimated zero temperature energy for the 0.5 eV smearing and compare them to the results with the original smearing. 33 Exercise 4. Go back to your silicon calculation, and look at the SCF tab on the CASTEP Electronic Options window. We’re using the “Density Mixing” algorithm, and if you click on “More” you’ll see we’re using a Pulay mixing scheme with a charge mixing amplitude of 0.5. Investigate what happens as you vary this initial amplitude from close to 0 to close to 1. The Pulay algorithm takes over after the rst few SCF cycles, and overrides the mixing charge amplitude. This is not true of the Kerker scheme. Use the “More” button and change the mixing scheme to Kerker, and investigate the eects of the mixing charge amplitude again. Exercise 5. Have a play with the Castep interface and Castep. Why don’t you see whether you can get Castep to fail to converge Remember what causes density mixing to be unstable: metals, degeneracies (band-crossings), multiple spin states, long cells, small smearing 34 widths etc. The only restriction is computational time, so if you make a large cell try not to have too many atoms in it or Castep won’t nish in time! If you manage to make Castep fail to converge, try to x it by varying the DM parameters. If that doesn’t work, how does EDFT do Remember you can always save your cell and param les and copy them to Lagavulin if your PC isn’t fast enough. 35 You can also try Castep on your favourite system. Things you might nd useful: Materials Studio ships with lots of sample structures, just click “File” then “Import” and have a look, or create your own. To create a supercell from a unit cell, click on the “Build” menu, then select “Symmetry” and then “Supercell”. To modify atoms just left-click (or dragselect) to select them, and then you can use the “Modify” menu to change their element. Materials Studio has a useful surface builder so you can cleave crystals along bizarre planes without too much eort. 36 If you’re stuck for things to do: Try making a supercell of two aluminium FCC cells, and swapping one of the aluminium atoms for erbium. Run that, and see what happens. Can you improve it Use the task “properties” in the Castep window to calculate the DOS and band structures of silicon and aluminium. Now create a simple molecule surrounded by vacuum, and calculate its band structure and DOS. Do you get what you expect Calculate the binding energy of a simple molecule. Run Castep for the molecule, and then again for a single atom of each of the elements in turn. Subtract the energies, and see what you get. How does the result change if you change the cut-o energy for (a) one calculation; (b) all the calculations 37
China emphatically demonstrated their dominance of Badminton as all of their Doubles top seeds eased to victories on the opening day of London 2012 competition. The Asian nation boasts the top pairs in each of the three Doubles events at Wembley Arena and there were no mistakes as all featured in the evening session. Zhang Nan and Zhao Yunlei were hardly troubled as they brushed off the challenge of Germans Michael Fuchs and Birgit Michels in Group A, winning 21-6 21-7 in 28 minutes. Such was their superiority that the longest rally of the match was only 19 strokes. It was a similar story in the women's Doubles as Wang Xiaoli and Yu Yang saw off Canada's Michele Li and Alex Bruce 21-11 21-7 in Group D. In the men's event, Cai Yun and Fu Haifeng were not kept long by Australians Ross Smith and Glenn Warfe in Group A, winning 21-11 21-17. Zhao was also in action earlier in the day in the women's Doubles, in which she is seeded second with Tian Qing , and enjoyed a 21-11 21-12 win over Poon Lok Yan and Tse Ying Suet of Hong Kong. Also impressive from China was women's third seed Li Xuerui , who was a late addition to the team but looked imperious as Peru's Claudia Rivero was vanquished 21-5 21-6 in just 22 minutes. Yet the Chinese may not have it all their own way, with the All England men's Doubles champions, the second-seeded Chung Jae-sung and Lee Dong-dae, beating former world leaders Howard Bach and Tony Gunawan 21-15 21-19. With the top seeds in the men's and women's Singles not in action, former Olympic and world champion Taufik Hidayat took centre stage to make a winning start in one of the highlights. The 2004 Athens gold medallist, seeded 11th, proved too strong for the Czech Republic 's Petr Koukal , winning 21-8 21-8 in Group O. Germany's Marc Zwiebler also made swift work of the world's number 209, Mohamed Ajfan Rasheed of the Maldives. 原文见 http://www.london2012.com/news/articles/day-review-china-start-style.html
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