英语翻译Molecular dynamics (MD) simulations have been one of the primary approaches used to investigate tribological phenomena on the atomic scale [71–73].While this approach provides full information about the role of each atom and the ability

英语翻译Molecular dynamics (MD) simulations have been one of the primary approaches used to investigate tribological phenomena on the atomic scale [71–73].While this approach provides full information about the role of each atom and the ability
英语翻译
Molecular dynamics (MD) simulations have been one of the primary approaches used to investigate tribological phenomena on the atomic scale [71–73].While this approach provides full information about the role of each atom and the ability to perform ideally controlled “experiments”,it is limited to length scales of micrometers and smaller,and time scales of microseconds and less.New approaches are required to provide more realistic links to experiment.For example many important tribological processes,such as the formation of a wear particle or the occurrence of a chemical reaction are,in general,too “rare”to study with MD simulations.Possible insights into these phenomena will come from being able to extend theoretical methods to longer time scales and larger size systems.Other possible strategies for accessing rare events might include biasing trajectories in the simulation to sample higher energies and potential reactions,or by applying ad hoc perturbations to simulate rare events.Addressing the issue of length scales might involve linking atomic-scale analyses to continuum models through simultaneous or hierarchical hybrid approaches [74–79].Exploring chemistry and wear at the tribological interface,both of which involve bond scission,will necessitate the development of more realistic reactive potentials.Finally,little work has been done in modeling tribological processes using quantum mechanical methods.Density functional theory,for example,can now provide rather accurate energies for chemical systems [80,81],and has been applied to a wide range of phenomena,but has only begun to be applied to tribological problems [82].
At the continuum level,currently available contact mechanics models are not capable of accurately predicting contact areas for rough surfaces.This is partly due to the lack of good experimental measurements of these properties.However,any improvements in the ability to accurately measure contact properties should be matched by advances in modeling these systems.The fractal nature of many surfaces is likely to be crucial in correctly describing multi-asperity contacts and some progress has been made in this area [51–56].These analyses are,however,only for a static contact and the problem of junction growth at the asperity contacts during sliding also needs to be addressed.
Significant improvements are also needed in computer assisted engineering (CAE) models,which will allow incorporation of tribological effects in the design at the outset.This may involve more precise experimental results being available that can be used directly as input into the CAE programs,or the development of more complex algorithms for computing the desired properties (friction coefficient or wear rates) for a particular engineering application.

英语翻译Molecular dynamics (MD) simulations have been one of the primary approaches used to investigate tribological phenomena on the atomic scale [71–73].While this approach provides full information about the role of each atom and the ability
分子动力学模拟也有苦咸水淡化的主要方法是用于研究在原子尺度摩擦学现象[71 - 73).虽然这种方法提供完全的信息每一个原子的角色,你有能力去完成理想的控制”实验”,它是有限的长度尺度的微米,越来越小,和时间尺度的微秒越少.新的方法都必须提供更为现实的连接到实验.比如许多重要的摩擦学过程,如形成磨损微粒或发生化学反应,一般来说,太“罕见”学习总经理模拟.洞察这些现象可能就会得到延长的时间较长时间尺度的理论方法和尺寸大一点的系统.其他可能的策略来访问罕见的事件可能包括偏轨迹在模拟样本更高的能量和潜在的反应,或采用特设扰动来模拟罕见的事件.解决这个问题atomic-scale长度尺度可能包括连接进行分析,通过连续模型同时或层次混合方法[74-79].化学和穿在探索中的摩擦学界面,它们都涉及债券scission,不得不去发展的更现实的无功的潜力.最后小已做了大量的工作,在造型的摩擦学过程使用量子力学的方法.密度泛函理论,例如,现在已能提供比较准确地能源化工系统[80,81],已经广泛应用于的现象,但才刚刚开始被用于摩擦学问题[82].
在连续的水平,现有接触力学模型准确预测是不太可能的表面粗糙度接触区域.这部分是由于缺乏良好的实验测量上述特征.然而,任何改善能准确地测量接触性质都应该是matc