| 1. | Body concentration , interaction energy between segments , adsorption energy of surface , and macromolecule chain length were used to affect the adsorption behavior of macromolecules
改变链节间相互作用能相当于研究不同高分子的吸附，而界面吸附能的变化，则相当于固体表面性质的改变。 |
| 2. | The influence of outer potential field on single atom and atomic interaction energy on precipitation mechanism of " ( al3li ) phase in al - li alloys were investigated by computer simulation
本文以al - li合金为对象，通过计算机模拟研究了外势场对单原子能量的影响和原子间相互作用势对( al _ 3li )相沉淀机制的影响。 |
| 3. | The parameters in simulation could characterize macromolecules adsorption in real solution . varieties of interaction energy between segments corresponded to different macromolecules . varieties of adsorption energy of interface corresponded to different solid surfaces
改变模拟参数大小对高分子链节分布的影响，与真实体系中链节、溶剂和界面等因素对高分子吸附的影响是一致的。 |
| 4. | It ' s indicated that the zeta potential and total interaction energy of the colloidal particles are both at a maximum when the nitric acid concentration is 0 . 22mol / l for the alumina sols with a mol ratio of 1 : 50 between asb and h2o ,
结果表明，胶体颗粒的双电层厚度随硝酸的浓度的增加不断减小，对异丁醇铝与水的摩尔比为1 ： 50系溶胶，硝酸浓度为0 . 22mol l时胶体颗粒的zeta电位和作用位能最大。 |
| 5. | The phase structure , the lattice constant , crystal grain diameter of the samples was obtained by the x - ray diffractions ( xrd ) spectra . their relations are showed respectively . influence of grain size on the lattice constant of several kind of phase structure was studied theoretically by interaction energy between atoms in nanocrystallites
其次，从结合能的角度出发，研究了nacl结构和cscl结构的离子晶体，面心立方( fcc ) 、体心立方( bcc )金属晶体以及简立方( scc ) 、面心立方( fcc ) 、体心立方( bcc )结构分子晶体的晶粒线度对晶格常数的影响。 |
| 6. | The general formulas for interaction energy and the force acting on the dislocation due to the presence of an elliptical inhomogeneity under longitudinal shear are given . the force acting on the dislocation is figured out , particular discussion being given to its variation with the dislocation azimuth and other parameters . it is shown that the force acting on the dislocation first reduces and then increases with the augment of dislocation azimuth
首次导出了纵向剪切下夹杂内外螺旋位错引起的耦合干涉能与耦合位错力的一般解析表达式，并讨论了位错力随位错方位角及相关参数的变化规律，发现纵向剪切下位错力幅值随位错方位角的增大先减小后增大。 |
| 7. | It is found for the first time that for alloys in instable region , with enhancement of atomic interaction energy , pregnant period of " phase is shortened , degree of ordering and composition order parameter of ordered phase is increased , process of clustering in ordered phase accelerated , i . e . process of congruent ordering is quickened and velocity of spinodal decomposition is expedited
首次发现，随着原子间相互作用势的增加，失稳区合金中有序相的孕育期缩短，有序度有所增加，有序相内成分序参数提高、原子簇聚过程提前，即加快了等成分有序化的进程和失稳分解的速度。 |
| 8. | A monte carlo model was developed for simulating the adsorption behaviors of linear macromolecule chains on the solid - liquid interface . the simulations were performed on a simple cubic lattice , which was 50 50 50 sites in size . the concentration profiles of total segments , tails and loops in dilute solutions were used to analyze the influences of simulation parameters ( body concentration , interaction energy between segments , adsorption energy of interface , and macromolecule chain length ) on various adsorption configurations
本文采用montecarlo方法构造了水溶性均聚链状高分子固液界面吸附模型，在50 50 50简单立方格子上模拟研究了高分子稀溶液中链节浓度、链尾和链环分布，并结合真实高分子链的吸附行为，讨论了模拟参数(链节间相互作用能、界面吸附能、体相浓度与链长)对各种吸附构型分布、吸附量、表面覆盖度和附着分数的影响。 |
| 9. | _ incremental form of evolution law of domain switching is developed by taking the volume fraction of domains as key intrinsic factors . the main factors that have great influence on domain switching are material parameters , domain wall motion , domain volume fraction and the interaction energy between inclusion and matrix . inclusion and its neighbors could be addressed in the description as well
? ?建立了以电畴翻转时的体积分数增量为中心的，基于铁电畴壁运动特性的剩余应变及电位移的增量形式的演化方程，在其中包含有材料参数、畴壁运动、电畴形式、电畴体积分数及基体与夹杂、夹杂与夹杂等相互间能量作用等影响因素。 |
| 10. | It is firstly found that for alloys in metastable region , with enhancement of atomic interaction energy , volume fraction and density of " phase particulate are increased , size and nucle ' ation rate of ordered phase raised , decline pace of composition in disordered matrix around the order phase is accelerated , composition order parameter and long range order parameter of ordered phase increased , i . e . process of clustering and ordering are accelerated
首次发现，随着原子间相互作用势的增加，亚稳区合金中有序相的体积分数和颗粒密度有所增加，有序相的尺寸和形核率有所提高，有序相周围的无序基体浓度的降低有所加快，有序相内的成分序参数和长程序参数有所提高，即促进了原子簇聚过程和有序化程度。 |
