Phases of polymer systems in solution studied via molecular dynamics.

机译：通过分子动力学研究溶液中聚合物体系的相。

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Polymers are versatile molecules that can self-assemble into a variety of phases in solution. The phases that form can be controlled by varying the concentration, temperature, or pH of the solution. Inorganic particles added to a solution of functionalized polymers also self-assemble into novel polymer nanocomposite materials. The determination of phase diagrams of these systems, as well as detailed calculations of their properties, is accomplished using Molecular Dynamics (MD) simulations. Additionally, algorithms are developed that implement MD on recent Graphics Processing Unit (GPU) hardware capable of astounding levels of performance. A single inexpensive GPU runs a MD simulation at the same performance as 63 CPU cores in a distributed memory cluster.

机译：聚合物是多用途的分子，可以在溶液中自组装成各种相。形成的相可以通过改变溶液的浓度，温度或pH值来控制。添加到功能化聚合物溶液中的无机颗粒也会自组装成新型聚合物纳米复合材料。使用分子动力学（MD）模拟可以确定这些系统的相图，并对其性能进行详细的计算。此外，还开发了在最新的图形处理单元（GPU）硬件上实现MD的算法，这些硬件具有惊人的性能水平。单个廉价的GPU运行MD仿真的性能与分布式内存集群中的63个CPU内核相同。

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作者
Anderson, Joshua Allen.;
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Iowa State University.;

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授予单位 Iowa State University.;
学科 Chemistry Polymer.;Physics Condensed Matter.
学位 Ph.D.
年度 2009
页码 167 p.
总页数 167
原文格式 PDF
正文语种 eng
中图分类高分子化学（高聚物）;
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7. Phases of polymer systems in solution studied via molecular dynamics [O] . Anderson, Joshua Allen 2009

机译：通过分子动力学研究溶液中聚合物体系的相

Phases of polymer systems in solution studied via molecular dynamics.

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