摘要翻译:
碱卤化物(100)晶体表面在三相点处被它们自己的熔体润湿得很差。我们在测试良好的BMHFT模型势中对NaCl(100)进行了模拟。对固体NaCl(100)的固-汽、固-液和液-汽自由能的计算表明,固体NaCl(100)是一个不熔融的表面,并对其润湿性差作了详细的解释。NaCl(100)的极端稳定性是研究高温下纳米摩擦的理想条件,接近甚至高于体熔温度(T_M)。我们的模拟揭示了在这种情况下,耕作摩擦和放牧摩擦两种截然不同而相反的现象。我们发现,在深翻和磨损时,摩擦力下降接近T_M,而在放牧和无磨损滑动时,摩擦力上升。对于这两种现象,我们获得了新的微观理解,将前者与通过局部液体云的“滑行”联系起来,将后者与自由底物表面的软化联系起来。这两种现象在实验上都应该比NaCl表面的具体情况更普遍。大多数金属,特别是具有一个或多个紧密堆积的非熔化表面的金属,如Pb、Al或Au(111),应该表现得非常相似。
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英文标题:
《Alkali Halide Surfaces Near Melting: Wetting and Nanofriction Properties》
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作者:
D. Ceresoli, T. Zykova-Timan, U. Tartaglino and E. Tosatti
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最新提交年份:
2007
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分类信息:
一级分类:Physics        物理学
二级分类:Materials Science        材料科学
分类描述:Techniques, synthesis, characterization, structure.  Structural phase transitions, mechanical properties, phonons. Defects, adsorbates, interfaces
技术,合成,表征,结构。结构相变,力学性质,声子。缺陷,吸附质,界面
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一级分类:Physics        物理学
二级分类:Soft Condensed Matter        软凝聚态物质
分类描述:Membranes, polymers, liquid crystals, glasses, colloids, granular matter
膜,聚合物,液晶,玻璃,胶体,颗粒物质
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一级分类:Physics        物理学
二级分类:Statistical Mechanics        统计力学
分类描述:Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变,热力学,场论,非平衡现象,重整化群和标度,可积模型,湍流
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英文摘要:
  Alkali halide (100) crystal surfaces are poorly wetted by their own melt at the triple point. We carried out simulations for NaCl(100) within the well tested BMHFT model potential. Calculations of the solid-vapor, solid-liquid and liquid-vapor free energies showed that solid NaCl(100) is a non-melting surface, and explain its bad wetting in detail.   The extreme stability of NaCl(100) is ideal for a study of the nanofriction in the high temperature regime, close to and even above the bulk melting temperature (T_M). Our simulations reveal in this regime two distinct and opposite phenomena for plowing and for grazing friction. We found a frictional drop close to T_M for deep ploughing and wear, but on the contrary a frictional rise for grazing, wearless sliding. For both phenomena we obtain a fresh microscopic understanding, relating the former to ``skating'' through a local liquid cloud, the latter to softening of the free substrate surface. It is argued that both phenomena, to be pursued experimentally, should be much more general than the specific NaCl surface case. Most metals in particular possessing one or more close packed non-melting surface, such as Pb, Al or Au(111), should behave quite similarly. 
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PDF链接:
https://arxiv.org/pdf/706.4027