本文介绍了计算机模拟材料计算与设计的特点和意义、主要研究方法。
The article demonstrates the characteristics and the meaning of the computation and design of computer analogue materials, major research methods, its present state and future prospect as well.
与计算机技术相结合的材料计算和设计是现代材料科学研究的重要方法。
Combined with computer techniques, material computation and design play an important role in modem material science.
本论文首先介绍了计算机分子模拟，以及计算机分子模拟下的材料计算的现状及发展趋势。
In this paper, we first introduced computer molecular simulation status and development trend of materials computation with computer molecular simulation.
侨芝郁，许志宏，刘洪霖。冶金和材料计算物理化学。北京：冶金工业出版社1999：142。
Qiao Z Y, Xu Z H, Liu H L, Computerized Physical Chemistry of Materials and Metallurgy. Beijing: MetallurgyIndustry Press, 1999: 142
拆解的下一步工作就是辨认零部件以及计算这些零部件在材料和装配方面的成本。
The next steps in a teardown are identifying the parts and calculating the costs of materials and assembly.
不过，把收集与加工原始生产材料所产生的污染成本计算到总成本中，才是最有效的措施。
But the most effective policy would be to incorporate the costs of the pollution caused by gathering and processing virgin materials into their prices.
这些材料也将用计算机模型开发原子结构，接着模拟电子在其中的行为模式。
They too are using computer models to explore atomic structures and then to simulate how electrons will behave in them.
然而电子计算机工程副教授丹尼斯·普拉瑟说，这种芯片还是存在一些问题的，例如使用有机材料会产生自然颠簸和不规则运动。
Problems still remain, including the natural bumps and irregularities that come from using an organic base, said Dr.Dennis Prather, an associate professor of electrical and computer engineering.
短时间内不可能完全依赖计算机来发现新的材料，但用于借助计算机探索、设计和完善材料的工具正快速改进着。
New materials will not be discovered wholly by computers anytime soon, but the tools used to explore, design and optimize materials computationally are quickly improving.
按照工程量清单计算的标价及钢材、木材、水泥等主要材料用量。
The bidding price as calculated per the volume of the construction project and the quantity of consumption of the major materials, including steel, wood and cement.
这有助于让计算机材料科学领域证明自己在新材料的试验设计方面能有所建树。
This is helping the computational materials science field prove it has something to offer in terms of the experimental design of new materials.
从理论上说，该项成果可以进行量子计算并读出结果，并最终运用传统芯片的制作材料，实现工业化生产。
The result is something that could, in principle, do calculations and spit out the answers-and which could be made industrially using the sort of equipment that turns out conventional chips.
当然，贝拉德要求助于电脑，不过你也可以用最简单的办法在自家客厅计算圆周率，所用材料只是几根针和一张横格纸。
He used a computer, but you can also calculate pi at home with some needles and a sheet of lined paper.
像我这样的计算机材料科学家的任务就是缩小实验者们为完善给定的材料所需要探索的试验尝试的空间。
The mission of computational materials scientists, like myself, is to narrow down the experimental search space that experimentalists need to explore in order to optimize a given material.
他们的研究将全世界的评论都聚集在了材料科学、计算机应用、凝聚态物理学上。
Their research has opened up a world of insights into materials science, computer applications and condensed matter physics.
假如你的工作是运送250磅，价值25,000美元的计算机服务器，你无疑只会使用最安全的材料作为包装盒进行包装。
If your job was to ship 250 pounds and $25, 000 dollars worth of computer servers, you'd no doubt pack them in a box using only the safest materials.
大部分的太阳能电池是用硅制造的，它是一种用于生产计算机核心部件的半导体材料。
Most solar cells are made from silicon-the same semiconductor material that is at the heart of computers.
通过这些信息他们可以计算出加入石墨烯后高分子复合材料的刚度改进。
From this information they calculated the improvement in stiffness the graphene gave to the polymer composite.
它导电导热，强度大而且透明，因此有人提议把它应用于从航空轻型材料到计算机触摸屏等多个领域。
It is electrically and thermally conductive, is strong and is transparent.It is thus proposed for applications that range from lightweight materials for aircraft to touch-screens for computers.
它导电导热，强度大而且透明，因此有人提议把它应用于从航空轻型材料到计算机触摸屏等多个领域。
It is electrically and thermally conductive, is strong and is transparent. It is thus proposed for applications that range from lightweight materials for aircraft to touch-screens for computers.
这其中当然包括了书写材料，计算机或者打字机，参考书或参考资料。
That certainly would include writing materials, computer or typewriter, reference books or materials.
例如，计算机要能够检测出久置的核材料是否具有潜在的危险。
One thing the computer will be able to test, for example, is whether aging materials hold potential hazards.
对于天然丝，他们的研究方法采用计算机模型，来帮助确定使天然丝材料具有卓越力学特性的分子与原子机制。
With silk, that means using computer models that help determine the molecular and atomic mechanisms responsible for the material's remarkable mechanical properties.
按相对价值计算，进口额下降最多的是矿物质燃料类(下降了55%)及原材料(下降了50%)。
In relative terms, the largest collapse in import spending was seen in the categories of mineral fuels (down by 55%) and raw materials (down by nearly 50%).
这种超低温晶体所具有的存储和再现光量子的材料特性，很像计算机中字节的保存和调用。
The material properties in these cooled crystals are such that the photons can be stored and retrieved, much as bytes on a computer are squirreled away for later recall.
那么这里的悖论就是，你是如何用传输如此缓慢的材料，制造出反应如此迅速的计算机的？
The paradox then is how do you create such a fast computer with such slow stuff?
通过数值计算，分析了材料参数和球体的半径比对孔穴生成和增长的影响，并与相应的静态结果进行了比较。
The influence of the material parameters on the void formation and growth is considered by numerical computation and the results are compared with those for static analysis.
通过检测或基于从包装材料重金属检测计算出的结果显示出对指令的符合性。
Compliance may shown by testing the packaging or based on calculations from heavy metal testing of the packaging materials.
盖伊的公司应用材料（AppliedMaterials)的业务范围从纯平显示屏扩展到计算机芯片，再到太阳能电池（solar cell)。
Applied Materials, where Mr Gay works, has branched out from flat screens and computer chips into solar cells.
以数量计算的下列建筑材料。
Calculate order quantities for the following building materials.
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