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Effect of nonhydrostatic stresses on solid-fluid equilibrium. I. Bulk thermodynamics

机译：非静水应力对固液平衡的影响。一，本体热力学

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摘要

We present a thermodynamic analysis of the effect of nonhydrostatic stresses on solid-fluid equilibrium in single-component systems. The solid is treated in the small-strain approximation and anisotropic linear elasticity. If the latent heat of the solid-fluid transformation is nonzero and pressure in the fluid is fixed, the shift of the equilibrium temperature relative to hydrostatic equilibrium is shown to be quadratic in nonhydrostatic components of the stress. If atomic volumes of the phases are different and temperature is fixed, the shift of the equilibrium liquid pressure relative to a hydrostatic state is quadratic in nonhydrostatic components of the stress in the solid. The stress effects at special points, at which either the latent heat or the volume difference turn to zero, have also been analyzed. Our theoretical predictions for the temperature and pressure shifts are quantitatively verified by atomistic computer simulations of solid-liquid equilibrium in copper using molecular dynamics with an embedded-atom potential. The simulations also demonstrate spontaneous crystallization of liquid on the surface of a stressed solid with the formation of solid-solid interfaces with the same crystallo-graphic orientation of the solid layers. The lattice mismatch between the stressed and unstressed regions is accommodated by misfit dislocations dissociated in a zigzag pattern.
机译：我们提出了对单组分系统中非静水压力对固液平衡的影响的热力学分析。用小应变近似和各向异性线性弹性处理固体。如果固体-流体转化的潜热不为零且流体中的压力是固定的，则在应力的非流体静力学分量中，平衡温度相对于流体静力学平衡的位移将显示为二次方。如果相的原子量不同并且温度固定，则在固体中应力的非静压分量中，平衡液压相对于静压的位移是二次方的。还分析了在特定点的应力影响，在该点处潜热或体积差变为零。我们对温度和压力变化的理论预测已通过使用嵌入原子势的分子动力学的铜固液平衡的原子计算机模拟进行了定量验证。该模拟还证明了在受应力的固体表面上液体的自发结晶，形成了具有与固体层相同的晶体学取向的固体-固体界面。应力区域和非应力区域之间的晶格失配通过以Z字形解离的失配位错来解决。

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  • 来源
    《Physical review》 |2010年第17期|p.174113.1-174113.14|共14页
  • 作者

    T. Frolov; Y. Mishit;

  • 作者单位

    Department of Physics and Astronomy, George Mason University, MSN 3F3, Fairfax, Virginia 22030, USA;

    Department of Physics and Astronomy, George Mason University, MSN 3F3, Fairfax, Virginia 22030, USA;

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