首页 | 本学科首页   官方微博 | 高级检索  
文章检索
  按 检索   检索词:      
出版年份:   被引次数:   他引次数: 提示:输入*表示无穷大
  收费全文   2篇
  完全免费   5篇
  物理学   7篇
  2011年   1篇
  2010年   2篇
  2009年   1篇
  2006年   1篇
  2003年   1篇
  2002年   1篇
排序方式: 共有7条查询结果,搜索用时 31 毫秒
1
1.
约束条件下的硬球流体   总被引:2,自引:0,他引:2       下载免费PDF全文
利用密度泛函理论和分子动力学方法 ,对处于两平行硬墙之间的硬球流体的密度分布进行了计算 .通过比较两种方法的结果 ,发现在墙之间距离较大时 ,Rosenfeld密度泛函理论的结果与分子动力学模拟的结果符合很好 ;当两堵墙间的距离很小时 ,这两个结果之间存在明显的不一致 .另外 ,还研究了约束条件下密度分布的结构  相似文献
2.
为了将非匀一硬球流体的桥密度泛函近似扩展到非匀一非硬球流体,提出了一个理论方案.所得的LJ流体的密度泛函近似计算简单,精确.特别是密度泛函近似仅仅需要共存体相流体的二阶直接相关函数作为输入,因而可以应用于超临界与亚临界温度.所提出的理论方案可以认为是热力学理论的非匀一对应物.  相似文献
3.
One component hard-sphere fluid confined in two planar hard wllas is studied by means of density functional theroy with Rosenfeld functional and molecular dynamics simulation,the Validity of the Rosenfeld functional is examined,Chemical potential,grand potential and free energy as functions of the wall separation are obtained.  相似文献
4.
使用Weierstrass和Chebyshev定理, 并参考标度粒子理论和Percus-Yevick积分方程理论的状态方程,证明硬球流体存在一个多项式序列,致使其状态方程由该序列的极限给出. 获得了从三阶到八阶的最佳多项式,这样Carnahan-Starling方程可以逐级改进. 得到的状态方程和在稳定和亚稳定流体分支上的模拟结果符合得很好.  相似文献
5.
6.
周世琦 《理论物理通讯》2010,(12):1023-1039
From point of view of weighted density procedure, it is guessed that a Percus-Yevick (PY) compressibility excess free energy density, appearing in the Kierlik Rosinberg type fundamental measure functional (KR-FMF) and expressed in terms of scaled particle variables, can be substituted by a corresponding expression dictated by a more accurate Mansoori Carnahan-Starling Leland (MCSL) equation of state, while retaining the original weighting functions; it is numerically indicated that the resultant undesirable non-self-consistency between the PY type weighting function and MCSL type excess free energy density had no bad effect on the performance of the resultant augmented KR-ffMF which, on the one hand, preserves the exact low-density limit of the original KR-FMF and holds a high degree of pressure self-consistency, on the other hand, improves significantly, as expected, the predictions of density profile of hard sphere fluid at single hard wall contact location and its vicinity, and of the bulk hard sphere second order direct correlation function (DCF), obtained from functional differentiation. The FMF is made applicable to inhomogeneous non-hard sphere fluids by supplementing a functional perturbation expansion approximation truncated at the lowest order with summation of higher order terms beyond the lowest term calculated by the FMF for an effective hard sphere fluid; the resultant extended FMF only needs second order DCF and pressure of the fluid considered at coexistence state as inputs, consequently is applicable whether the considered temperature is above critical point or below critical point. The extended MCSL-augmented KR-FMF is found to be endowed with an excellent performance for predictions of density profile and surface tension by comparing the present predictions of these two quantities with available computer simulation data for inhomogeneous hard core attractive Yukawa fluid and Lennard-3ones fluid.  相似文献
7.
Within the framework of the density functional theory for classical fluids, the equilibrium density profiles of charged hard sphere fluid confined in micro-cavity are studied by means of the modified fundamental measure theory. The dimension of micro-cavity, the charge of hard sphere and the applied electric field are found to have significant effects on the density profiles. In particular, it is shown that Coulomb interaction, excluded volume interaction and applied electric field play the central role in controlling the aggregated structure of the system.  相似文献
1
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号