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- Structural properties of Cu-Ni alloy are studied using MD simulation with EAM potential function. 采用EAM作用势对Cu Ni合金的结构特性进行了MD模拟研究 .
- Combining PRISM theory, MD simulation and Variational method, a single-site semiflexible model is proposed to describe atactic polystyrene (aPS) melt. 结合PRISM理论、MD分子模拟和变分法，得到了可以描述聚苯乙烯熔体的单点半柔性链模型，提出了一个研究实际聚合物体系的有效方法。
- Based on the MD simulation to liquid pure iron at 1873 K, a MD system was mapped onto DPD system, the simulation to liquid pure iron with DPD was achieved successfully. 在对1873K液态纯铁进行MD模拟的基础上，将MD体系与DPD体系进行了对应，实现了在液态纯铁体系中进行DPD模拟。
- MD simulation using COMPASS force field at NVT ensemble is carried out to investigate the mechanics properties of polymer bonded explosives (PBXs) composed of HMX and Estane5703, HTPB, PEG. 在NPT系综下，利用COMPASS力场MD模拟，研究了HMX晶体及以HMX为基的与Estane5703、HTPB、PEG构成的PBX的力学性能。
- The MD simulation results of the absorption behavior of multi-chains of copoly(VDF/CTFE) structured with 10 chain element confirmed that the chains have high surface active performance as individuals sorption. 通过对聚合度为10的交替共聚物的多链体系在TATB表面吸附的MD模拟;表明了VDF/CTFE交替共聚物具有非凝聚吸附的高表面活性特征.
- Then, the L-J (12/6) potential with the two parameters obtained was employed to carry out MD simulation of Fe2+ hydration process for a dilute aqueous solution system at 298.15 K and 573 K, respectively. 然后在298.;15K和573K温度条件下;用这个势能模型去运行Fe2+极稀水溶液系统的分子动力学模拟。
- The pattern of the interactions between inhibitors and receptor from MD simulations gives us some important structural information for the development of new drugs. 计算得到的抑制剂和受体间的作用模式为基于结构的药物设计提供了重要的信息。
- In this thesis, we have performed the MD simulations of liquid lithium and calculated the spectrum of inelastic X-ray scattering to compare with the experimental results. 本论文的第一个目的是比较我们的模拟计算结果与此篇文献的实验结果，以了解我们模拟系统的真实性。
- The MD simulations can reproduce the experimental results from structural analysis. And van der Waals force was the major factor of influencing the stability of inclusion complexes. 分子动力学模拟得到的包合物平衡构象的结构与X-射线和NMR实验结果一致，范德华作用力是影响包合物稳定性的主要因素。
- MD Simulation on Surface Energy of High-index Surfaces in Fe 金属Fe高指数面表面能的分子动力学模拟
- Perform sophisticated analyses of your MD simulation 执行MD模拟的复杂分析
- Computer simulation of an in-flight emergency. 计算机模拟飞行途中的紧急情况
- Shock Temperatures of Porous Iron from MD Simulations 多孔铁冲击温度的分子动力学模拟
- Investigation on single carbon atom transporting through the single-walled carbon nanotube by MD simulation 低能碳原子通过单壁碳纳米管的计算机模拟研究
- The md is probably go to retire next year. 总经理很可能明年退休。
- The MD is probably going to retire next year. 总经理很可能明年退休。
- Keywords proline;peptideyl-prolyl imide bond;phosporylation;cis/trans isomerization;MD simulation; 脯氨酸;肽脯酰胺键;磷酸化;顺反异构;分子动力学模拟;
- We have a polite letter from the md. 我们收到总经理的一封彬彬有礼的来信。
- Keywords TFE-water system;MD simulation;Chemical shifts in NMR;Hydrogen-bonding network; TFE水溶液;分子动力学模拟;核磁共振化学位移;氢键网络;
- Yes. This is David Robinson of MD Computers. 是的。我是md电脑公司的戴卫?鲁宾逊。
