Modification of short-range repulsive interactions in ReaxFF reactive force field for Fe-Ni-Al alloy

The short-range repulsive interactions of any force field must be modified to be applicable for high energy atomic collisions because of extremely far from equilibrium state when used in molecular dynamics (MD) simulations. In this work, the short-range repulsive interaction of a reactive force field (ReaxFF), describing Fe-Ni-Al alloy system, is well modified by adding a tabulated function form based on Ziegler-Biersack-Littmark (ZBL) potential. The modified interaction covers three ranges, including short range, smooth range, and primordial range. The short range is totally predominated by ZBL potential. The primordial range means the interactions in this range is the as-is ReaxFF with no changes. The smooth range links the short-range ZBL and primordial-range ReaxFF potentials with a taper function. Both energies and forces are guaranteed to be continuous, and qualified to the consistent requirement in LAMMPS. This modified force field is applicable for simulations of energetic particle bombardments and reproducing point defects' booming and recombination effectively.     

带非局部边界条件的半线性抛物系统的一致爆破模式

文章主要讨论一类带有非局部源与边界条件的半线性抛物系统,通过使用上解与下解技术,证明了系统整体解的存在与有限时间爆破的结果, 而且,还得到了解的一致爆破模式.     

时均流激声发动机声场特性实验研究

时均流激声发动机利用流体诱导声振荡效应把自然界的风和管道气体的动能转化为声场能,可驱动热声制冷机制冷或驱动发电机和换能器发电,为风能利用提供了新思路。在国内首次搭建了正十字型时均流激声发动机实验台,以一台高压风机提供的气流模拟自然风,获得了稳定的驻波声场。在此基础上,揭示了时均流速、平均压力、斯特劳哈尔数等对时均流诱导声振荡的影响。在平均压力为106.19 kPa、时均流速为50.52 m/s、谐振管长度为0.96 m的条件下,该正十字型时均流激声发动机谐振管内的压力振幅达6.20 kPa,约为平均压力的5.80%,为时均流激声发动机驱动发电装置和热声制冷研究奠定了实验基础。     

双弹簧振子在竖直方向的自由振动研究

采用数值模拟方法研究了对称双弹簧振子在竖直方向的自由振动,揭示出这类振动的性质随系统参数及振幅的变化规律,丰富了弹簧振子振动的研究.     

QUANTUM DIFFUSION IN TWO-DIMENSIONAL OCTAGONAL QUASICRYSTALS

We have studied the quantum diffusion in an octagonal quasiperiodic tiling. Paticular attention is paid to the analysis of long-time behavior of the autocorrelation function C(t) and the relationship between diffusion and fractal dimensions of energy spectrum. For the pure hopping model, numerical calculations show that C(t)～t^-1 , which corresponds to the case of periodic systems. For the combined model, in which the contribution of site potentials is considered, C(t)～t^-δ with 0＜δ≤1. The scaling factor δ is related to Hamiltonian parameters and the type of site where electron is initially located. Moreover, we find a crossover from δ=1 to 0＜δ＜1 with increasing site potentials.     

重费米子材料与物理

作为典型的强关联电子体系,重费米子材料表现出丰富的量子基态,如反铁磁序、铁磁序、非常规超导、非费米液体、自旋液体、轨道序和拓扑态等.相比其他强关联电子体系,重费米子体系的特征能量尺度低,可以通过压力、磁场或掺杂等参量对不同量子态进行连续调控,因而是研究量子相变、超导及其相互作用的理想体系.本文简要介绍重费米子研究的发展历史和国内外研究现状,概述几类典型的重费米子材料,并简单阐述重费米子超导、量子相变和强关联拓扑态等前沿科学问题.     

非线性非局部边界条件的半线性耦合抛物型方程组

该文研究具有非负初始数据和非局部边界条件u|αΩ×(0,∞)=∫_Ωψ_i(x,y,t)u_i~(l_i)(y,t)dy的半线性抛物型方程组u_(it)=△u_i+c_i(x,t)u_(i+1)~(pi),(x,t)∈Ω×(0,∞).给出了方程组解的整体存在与爆破准则.这些结果表明,权重函数c_i(x,t),ψ_i(x,y,t)和指数p_i,l_i的大小在确定方程组的解是否爆破中起着关键的作用.     

一类强退化抛物方程弱解的惟一性

研究了如下形式的强退化抛物方程(C)(u)/(t)=(2A(u,x,t))/(x2)+(B(u,x,t))/(x),基于Holm gren方法,证明了弱解的惟一性.     

一个描述原子高里德伯态的数学物理方程

本文用一个具有二个正则奇点和一个非正则奇点的二阶微分方程描述原子。假设原子中价电子的势能有如下形式 V(r)=-(e~3/r)[1+δ+α′/(r+γ′)+β′/(r+y′)~3] δ是离化度,通过解含V(r)的薛定谔方程可获的解析解,各种状态的势和波函数中的參数可用量子数亏损这个量表示。波函数的形状和节点数与Hartzee-Fock-Slater(HFS)理论一致。计算了与波函数内、外区的行为有关的典型物理量,并与实验和HFS理论进行了比较。用此模型计算的高里德伯态的振子强度和极化率比较满意。