共查询到20条相似文献,搜索用时 123 毫秒
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以往关于纳米材料热力学的研究,绝大多数以界面的热力学函数表征整体纳米材料的热力学性质,这种近似处理,对于尺寸超过几十纳米的较粗纳米材料,在相变热力学中对特征转变温度和临界尺寸等重要参量的预测,将导致很大误差. 应用“界面膨胀模型”和普适状态方程,研究了纳米晶界的热力学特性,进一步发展了纳米晶整体材料热力学函数的计算模型,给出了单相纳米多晶体的焓、熵和吉布斯自由能随界面过剩体积、温度,以及晶粒尺寸发生变化的明确表达式. 以Co纳米晶为例,分析了界面与整体纳米多晶体热力学函数的差异,确定了相变温度与晶粒尺寸的依赖关系,以及一定温度下可能发生相变的临界尺寸.
关键词:
纳米多晶体
热力学函数
相变热力学 相似文献
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根据准协德拜近似从理论上计算了金属纳米晶体的界面热力学特性,包括界面过剩能、过剩焓、过剩熵、过剩Gibbs自由能等,着重讨论了界面过剩热力学参量与界面过剩体积和温度的关系.一些实验测量结果表明,理论计算与实验结果基本相符.
关键词: 相似文献
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高聚物粘结炸药(PBX)的热力学性质是用于炸药结构响应、安全性评估、数值模拟分析等的重要参数.由于PBX结构的多尺度特性,完全采取实验方法精细表征这些参数存在巨大的挑战.本文运用第一性原理和分子动力学计算的方法,系统研究了三氨基三硝基苯(TATB)基高聚物粘结炸药的热力学参数和界面热传导性质.利用散射失配模型研究了TATB与聚偏二氟乙烯(PVDF)界面的热传导过程,发现热导率随温度升高而上升,并且在高温情况下接近于定值.基于分子动力学获得的TATB热导率并结合界面热导率,分析了PBX炸药的热导与颗粒尺寸的关系,当颗粒尺寸大于100 nm时,界面热阻对于PBX热导率的影响有限. 相似文献
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采用Mishin镶嵌原子势,通过分子动力学方法模拟了金属Cu 的(110)表面在不同应变下的熔 化行为,分析了表面熔化过程中系统结构组态和能量的变化以及固液界面迁移情况.金属Cu 的(110)表面在低于热力学熔点的温度下发生预熔化,准液体层的厚度随温度升高而增加.当 温度高于热力学熔点时,固液界面的移动速度与温度成正比,外推得到热力学熔点为1380K ,与实验结果1358K吻合良好.应变效应(包括拉伸和压缩)导致热力学熔点降低,并促进表 面预熔化进程.在相同温度条件下,准液体层的厚度随应变绝对值的增加而增大.应变效应导 致的固相自由能增加是金属Cu(110)表面热稳定性下降的主要因素,且表面应力和应变方向 的异同也会影响表面预熔化的进程.
关键词:
表面预熔化
热力学熔点
表面应力
分子动力学 相似文献
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摩擦与润滑过程是典型的能量耗散过程, 在机理上与非平衡热力学中的熵增、耗散结构等理论颇有相似之处. 通过热力学分析可以对一些典型的摩擦磨损过程做出合理的机理揭示与推测. 本文利用热力学理论对典型的润滑过程进行了建模分析. 采用分离压模型表征和计入了微尺度下的固液界面作用, 揭示分析了润滑热力学模型与润滑状态Stribeck曲线的联系. 从分析计算结果来看, 润滑Stribeck曲线的摩擦系数最低点与系统热力学上的熵增率最低点具有相当好的对应关系, 而润滑状态从弹流润滑向薄膜润滑的转变过程, 可以用耗散结构理论加以机理解释. 文中的热力学模型和方法能够有效地体现出润滑过程中多物理要素跨尺度非线性耦合的作用, 对实际工程与实验有着重要的指导作用. 相似文献
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重力场中竖壁上水滴界面形状热力学平衡的稳定性分析 总被引:5,自引:2,他引:3
1前言水蒸汽在冷壁面上的冷凝方式有两种:膜状冷凝和滴状冷凝。由于工业生产的需要,对现行工业用冷凝器中膜状冷凝的研究,从理论模式到实际设计计算都已经达到相当完善的程度。滴状冷凝较之膜状冷凝是一种高效的换热方式,从1930年Schmidtetal发现这种高效的换热方式以来,半个多世纪中进行过大量的研究工作。但由于滴状冷凝过程的复杂性,从理论模式的建立到工业化应用都没有取得实质性进展。本文在文献[1]的基础上继续从热力学观点,分析在重力作用下,疏水性竖壁上生成的水滴界面形状的热力学平衡稳定性,建立了相… 相似文献
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北京正负电子对撞机二期(BEPCⅡ),国产500 MHz超导腔经过紧张的安装调试于2017年10月正式投入带束流运行。首先对此国产超导腔两次降温调试的相关参数进行了监测和对比分析;其次研究了通过高功率老练的方法改善超导腔的品质因数,并实时监测超导腔老练过程中的辐射剂量;最后对超导腔的带束流运行情况进行了介绍分析。结果表明:BEPCⅡ国产500 MHz超导腔虽然放置了6年,但是状态良好,通过高功率老练能够降低超导腔的辐射剂量,改善其性能,完全满足束流运行要求。 相似文献
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The flow of water mist in a narrow duct has been studied experimentally. The profile of the velocity of drops has been measured, and the viscosity of the mist has been calculated using the Navier–Stokes equation. It has been found that at low gradients of the rate of shear the viscosity of the mist can exceed that of clean air by tens and even hundreds of times. The electric charge of the drops has been measured. It has been found that the viscosity of the mist differs from that of clean air at gradients of the rate of shear that are less than the frequency of the establishment of electric equilibrium between the drops. A comparative analysis of the viscosities of the mist and a drop cluster has been carried out, and the dependence of the viscosity of the water aerosol on the radius and the charge of the drops has been predicted. The possible role of aerosols that contain submicron drops in the known “clear air turbulence” problem has been shown. 相似文献
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N. Laskin 《The European physical journal. Special topics》2013,222(8):1929-1938
Generalized classical mechanics has been introduced and developed as a classical counterpart of the fractional quantum mechanics. The Lagrangian of generalized classical mechanics has been introduced, and equation of motion has been obtained. Lagrange, Hamilton and Hamilton-Jacobi frameworks have been implemented. Oscillator model has been launched and solved in 1D case. A new equation for the period of oscillations of generalized classical oscillator has been found. The interplay between the energy dependency of the period of classical oscillations and the non-equidistant distribution of the energy levels for fractional quantum oscillator has been discussed. We discuss as well, the relationships between new equations of generalized classical mechanics and the well-known fundamental equations of classical mechanics. 相似文献
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Evolution of optical pulses, which propagate in strained graphene, has been investigated. The effective wave equation for the vector potential of the electromagnetic field has been derived. The tensile strain of graphene layers has been described using the effective vector-potential in terms of the gauge theory. The numerical solution of the derived wave equation has been presented and the dependence of the pulse strength and shape on the magnitude of the external strain has been analyzed. 相似文献
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The system of nonlinear equations describing a surface-stabilized ferroelectric smectic C* liquid crystal in the chevron geometry has been investigated by numerical methods in the framework of the continuum model
of liquid crystals. Stable orientational and structural configurations have been studied, and the results obtained have been
compared with those derived using simplified models. The height of the potential barrier separating two stable configurations
has been determined, and the transition between them under the action of the external electric field has been examined. It
has been demonstrated that this effect has a threshold character. The dependence of the threshold field on the film thickness
has been analyzed. 相似文献