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来源:http://www.worldcommunitygrid.or ... ep1/viewCep1Main.do
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项目状态和成果：
Information on the Clean Energy Project can be found on these pages and on the Clean Energy @ Harvard website. The latest status updates can also be found at this site. To discuss or ask questions about this project, please visit The Clean Energy Project Forum.
关于清洁能源项目的信息可以在这些页面和Clean Energy @ Harvard website上找到.最新的项目状态可以在这个站点找到.项目讨论和提问请访问The Clean Energy Project Forum.
任务
The mission of the Clean Energy Project is to find new materials for the next generation of solar cells and later, energy storage devices. By harnessing the immense power of World Community Grid, researchers can calculate the electronic properties of tens of thousands of organic materials – many more than could ever be tested in a lab – and determine which candidates are most promising for developing affordable solar energy technology.
清洁能源项目的任务是为了找到新一代太阳能电池材料和能量储存设备.通过WCG,研究人员可以计算上万有机材料的电性能-远远超过实验室中可以被测试的数量-并且确定哪些材料是有能力开发成太阳能技术.
意义
We are living in the Age of Energy. The fossil fuel based economy of the present must give way to the renewable energy based economy of the future, but getting there is the greatest challenge humanity faces. Chemistry can help meet this challenge by discovering new materials that efficiently harvest solar radiation, store energy for later use, and reconvert the stored energy when needed.
[strike]我们生活在能源世纪中(这个.有更好的词汇么?本人词穷).目前化石能源必须为未来的可持续能源让步(这句有疑问),但达到这个目前对于人类还说是一个很大的挑战.化学可以通过发现新的可有效捕获太阳辐射,为日后使用和转化储存能源的新材料来帮助我们面对这个挑战(这句也有问题).[/strike]
我们正生活在一个能源的世纪。当前使用的化石能源未来必定会让位给可再生的能源，但要达到这个目标，对于人类来说还是一个很大的挑战。借助化学的力量，我们将能找到一些新的材料，可以用来更有效地收集太阳辐射、并将这些能量储存起来以备后用、然后在需要的时候再将这些能量重新释放出来。
The Clean Energy project uses computational chemistry and the willingness of people to help look for the best molecules possible for: organic photovoltaics to provide inexpensive solar cells, polymers for the membranes used in fuel cells for electricity generation, and how best to assemble the molecules to make those devices. By helping us search combinatorially among thousands of potential systems, World Community Grid volunteers are contributing to this effort.
清洁能源项目使用计算化学和志愿者来帮助寻找最佳的分子:提供低廉太阳能电池的有机光伏(photovoltaics?),用于发电的燃料电池薄膜的聚合体[/sstrike]||用于形成燃料电池产生电能时所需的膜的聚合物,和如何最好地聚合这些分子以生产这些设备.[strike]通过帮助我们在上千种可能的系统中寻找,WCG的志愿者们有助于这方面的努力.[/strike]WCG志愿者通过帮助我们在成千上万的潜在系统组合中搜寻，来为这一目标做出贡献。
方法
Researchers are employing molecular mechanics and electronic structure calculations to predict the optical and transport properties of molecules that could become the next generation of solar cell materials.
[strike]研究人员正在运用分子力学和电子结构计算来预测可能成为下一代太阳能电池材料的光学和运输性质的分子.[/strike]
研究人员正在运用分子力学计算和电子结构计算来预测可能成为下一代太阳能电池材料的分子的光学性质和输运性质。
a) Molecular mechanics calculations: Some of the computers contributing to the Clean Energy Project are carrying out molecular mechanics calculations of molecular crystals, thin films and molecular and polymer blends to study the packing arrangements and for predicting charge and excitation energy transport properties of the candidate materials. These calculations will be carried out using the CHARMM molecular mechanics package developed by the Karplus group at Harvard University.
[strike]a) 分子力学计算:一些电脑有助于清洁能源项目正在开展的分子力学计算分子晶体,薄膜和分子和聚合物共混物,研究了保障的安排和预测费用和能量运输性质的候选材料.这些计算将使用哈弗大学的Karplus小组开发的CHARMM分子力学套件.[/strike]
a) 分子力学计算:贡献给清洁能源项目的电脑中的一部分被用于进行对于分子晶体,薄膜和分子和聚合物共混物的分子力学计算，来研究候选材料的组成结构及预测其电荷和激发能的输运性质。这些计算将使用哈弗大学的Karplus小组开发的CHARMM分子力学套件。
b) Electronic structure calculations: To obtain the relevant optical and electronic transport properties, some of the computers connected to the Clean Energy Project will be computing calculations using wave function methods (such as Hartree-Fock or second-order perturbation theory) and density functional theory. These calculations will help researchers build a database of molecular properties that together with the results of the molecular mechanics calculations will help us identify potential candidate materials. The electronic structure calculations will be performed with the Q-Chem quantum chemistry code, developed by Q-Chem, Inc.
[strike]b) 电子结构计算:获得有关光学和电子运输性质,一些连接到清洁能源项目的计算机将使用计算波函数的计算方法(如哈特里-福克或二阶微扰理论)和密度泛函理论.这些计算将帮助研究人员建立一个分子特性与结果的分子力学计算数据库,它将帮助我们找出潜在的候选材料.电子结构计算将采用Q-Chem公司的Q-Chem化学量子代码.[/strike]
b) 电子结构计算:获得有关光学和电子运输性质,一些连接到清洁能源项目的计算机将使用计算波函数的计算方法(如哈特里-福克或二阶微扰理论)和密度泛函理论.这些计算将帮助研究人员建立一个分子特性的数据库，并与分子力学计算的结果一起帮助我们找出潜在的候选材料。电子结构计算将采用Q-Chem公司的Q- Chem化学量子代码。
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大教主帮忙修改吧.等你修改好了我就放wiki上去.
翻译到后半部分很难,最后直接喂狗,发现效果不错,而且速度快.
欢迎指出错误.(估计挺多的吧.一些句子看着奇怪)
[ 本帖最后由 Tynox 于 2009-6-10 20:35 编辑 ] |
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发表于 2009-6-10 09:01:30
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