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Keywords: molecular dynamics simulation; YUKAWA system; phase transition; dispersion relation; self-diffusion

中文关键词:分子动力学模拟;YUKAWA系统;相变;色散关系;自扩散

The main results of this thesis are as follows:1. The critical properties of the spin-1 Heisenberg system with DM interactions on the simple cubic lattice are investigated.

本文应用二自旋集团平均场近似的方法研究了具有DM相互作用的量子自旋系统的相变和热力学性质。

The transverse Ising model with long-range interaction in a simple subic lattice is used to simulate a ferroelectric particle.

铁电颗粒的尺寸效应吴银忠摘要:应用具有长程相互作用的横场伊辛模型模拟了铁电颗粒,考察了尺寸和长程相互作用对铁电颗粒的极化和相变的影响。

The transverse Ising model with long range interaction in a simple subic lattice is used to simulate a ferroelectric particle.

应用具有长程相互作用的横场伊辛模型模拟了铁电颗粒,考察了尺寸和长程相互作用对铁电颗粒的极化和相变的影响。

We find that this order parameter can reflect the symmetry changes of the two crystals perfectly. There are two kinds of antiferroelectric models for the simple cubic lattice.

利用该序参量研究了典型的反铁畸变晶体-PZT晶体和钛酸锶晶体,发现它能很好地说明这两种晶体θ相变前后对称性的变化。

Main innovation and study achievements are described as follows:(1) A set of friction noise testing system was set up on the pin-on tester. In the process of friction testing in which the TRIP steel with transformation characteristics is continuously sliding in unilateralism, variety rule of the friction noise intensity was studied.

本文的主要创新和研究成果体现在以下方面:(1)在销盘摩擦磨损试验机上建立了一套摩擦噪声测试系统,研究了具有相变特征的TRIP钢在单向连续滑动的摩擦试验过程中,摩擦噪声的强度的变化规律。

It was observed in this pressure range that sodalite underwent a phase transition at about 3 GPa and that the d- 222 value showed an abnormal increase when the pressure was higher than 6.3 GPa. The experimental results are explained on the basis of the pressure effects upon the cage and tunnel structures in sodalite.

对方钠石在高压下相变以及d222增大的原因进行了分析,认为方钠石结构中存在着充填大阳离子的多面体笼和孔道,高压下这些笼和孔道容易扭曲变形,从而造成结构的改变。

In the reverse direction, from solid to solution, the phase is abrupt and well marked.

在相反的方向,即从固体到溶液,相变则是突然的、十分明显的。

Light gas gun plate impact experiments were conducted on a FeMnNi alloy and phase transition and spallation occurred.

对FeMnNi合金进行了轻气炮平板撞击实验研究,实验中材料发生了相变和层裂。

For the undoped parent compound BaFe2As2, both resistance and magnetization data display an anomaly associated with spin density wave and/or structural phase transition, with the transition temperatures at ~138 K.

未掺杂的母体化合物BaFe2As2的电阻和磁化强度数据都表明存在一个与自旋密度波及结构相变有关的反常,该反常的发生温度为138K左右。

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