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An atomistically-meaningful pseudocontinuum representation for the finite monatomic chain with harmonic nearest-neighbor interactions

机译:具有谐和近邻相互作用的有限单原子链的原子意义上的伪连续谱表示

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摘要

An atomistically-meaningful pseudocontinuum representation for the nontrivial lattice dynamics of a fi- nite monatomic chain with linear elastic interactions between nearest neighbor atoms is analytically de- duced by mean of a dynamic mechanical analysis extending the memory-dependent pseudocontinuum viewpoint suggested in [M. Charlotte and L. Truskinovsky, Lattice dynamics from a continuum viewpoint , J. Mech. Phys. Solids, 60, pages 1508–1544 (2012)]. For a correct description of the lattice dynamics at its interstice length scale, the pseudocontinuum model integrates both the bulk and boundary inertial (heat- vibration) effects of the atomistic medium through specific modifications of the classical elastodynamic Newton’s law model: these modifications involve a generalization of the D’Alembert’s principle of inertial forces and Neumann-Robin’s boundary conditions, without increasing the number of initial and boundary conditions of the generic mechanical evolution problem, unlike all other generalized continuum models proposed in the literature up to this date. Owing to the spatially local and one-dimensional nature of the discrete and pseudocontinuum models, relationships are thus more clearly pinpointed between the elastodynamic normal stress field of that exact generalized continuum representation and the cohesive (or internal) and inertial forces operating at the lattice sites within the bulk of a finite-size monatomic chain and at its boundary.
机译:通过动态力学分析,扩展了[M.]中提出的依赖记忆的拟连续谱观点,从而对有限的单原子链的非平凡的晶格动力学具有原子学意义的拟连续谱表示法进行了分析,得出了最邻近原子之间的线性弹性相互作用。夏洛特(Charlotte)和特鲁斯基诺夫斯基(L.物理Solids,60,第1508-1544页(2012)。为了正确描述晶格动力学的空隙长度尺度,拟连续谱模型通过经典弹性力学牛顿定律模型的特定修改,将原子介质的体积和边界惯性(热振动)效应进行了整合: D'Alembert的惯性力原理和Neumann-Robin的边界条件,而没有增加迄今为止一般力学演化问题的初始条件和边界条件的数量,这与文献中提出的所有其他广义连续模型不同。由于离散和伪连续谱模型在空间上的局部性和一维性质,因此可以更精确地查明精确的广义连续谱表示形式的弹性动力法向应力场与在晶格位置处工作的内聚力(或内力)和惯性力之间的关系。在有限大小的单原子链的大部分内及其边界处。

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    Charlotte Miguel;

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