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粒子间键的刚度对面心立方晶格中离域非线性振动模式性质的影响。

Effect of the stiffness of interparticle bonds on properties of delocalized nonlinear vibrational modes in an fcc lattice.

作者信息

Babicheva Rita I, Semenov Alexander S, Shcherbinin Stepan A, Korznikova Elena A, Kudreyko Aleksey A, Vivegananthan Priyanka, Zhou Kun, Dmitriev Sergey V

机构信息

School of Mechanical and Aerospace Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore.

Polytechnic Institute (Branch) in Mirny, North-Eastern Federal University, Tikhonova Street 5/1, Mirny 678170, Sakha Republic (Yakutia), Russia.

出版信息

Phys Rev E. 2022 Jun;105(6-1):064204. doi: 10.1103/PhysRevE.105.064204.

Abstract

Delocalized nonlinear vibrational modes (DNVMs) supported in crystal lattices are exact solutions to the equations of motion of particles that are determined by the symmetry of the lattices. DNVMs exist for any vibration amplitudes and for any interparticle potentials. It is important to know how the properties of DNVMs depend on the parameters of interparticle potentials. In this work, we analyze the effect of the Morse potential stiffness on the properties of one-component DNVMs in a face-centered cubic (fcc) lattice. In particular, the frequencies, kinetic and potential energy, mechanical stress, and elastic constants of DNVMs in a large range of vibration amplitudes are considered. Frequency-amplitude dependency obtained for the Morse crystal is compared with that obtained earlier for copper by using the potentials of the many-body embedded atom method. The properties of DNVMs are mainly dictated by their symmetry and are less influenced by the interparticle potentials. It is revealed that at low and high stiffness of interparticle bonds, different sets of DNVMs have frequencies above the phonon band. This is important to predict the possible types of discrete breathers supported by the fcc lattice. The results obtained in the work enrich the understanding of the influence of interparticle potentials on the properties of the studied family of exact dynamic solutions.

摘要

晶体晶格中支持的离域非线性振动模式(DNVMs)是由晶格对称性决定的粒子运动方程的精确解。DNVMs对于任何振动幅度和任何粒子间势都存在。了解DNVMs的性质如何依赖于粒子间势的参数很重要。在这项工作中,我们分析了莫尔斯势刚度对面心立方(fcc)晶格中一元DNVMs性质的影响。特别地,考虑了在大范围振动幅度下DNVMs的频率、动能和势能、机械应力以及弹性常数。将通过莫尔斯晶体获得的频率 - 幅度依赖性与早期通过多体嵌入原子方法的势获得的铜的频率 - 幅度依赖性进行了比较。DNVMs的性质主要由其对称性决定,受粒子间势的影响较小。结果表明,在粒子间键的低刚度和高刚度下,不同组的DNVMs具有高于声子带的频率。这对于预测fcc晶格支持的离散呼吸子的可能类型很重要。这项工作中获得的结果丰富了对粒子间势对所研究的精确动态解族性质影响的理解。

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