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Modeling nanoscale ice adhesion 被引量:1
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作者 Senbo Xiao Jianying He Zhiliang Zhang 《Acta Mechanica Solida Sinica》 SCIE EI CSCD 2017年第3期224-226,共3页
Anti-icing is crucial for numerous instruments and devices in low temperature circum- stance. One of the approaches in anti-icing is to reduce ice adhesion strength, seeking spontaneous de-icing processes by natural f... Anti-icing is crucial for numerous instruments and devices in low temperature circum- stance. One of the approaches in anti-icing is to reduce ice adhesion strength, seeking spontaneous de-icing processes by natural forces of gravity or by winds. In order to enable tai- lored surface icephobicity design, research requires a good theoretical understanding of the atomistic interacting mechanisms between water/ice molecules and their adhering substrates. Herein, this work focuses on using atomistic modeling and molecular dynamics simulation to build a nanosized ice-cube adhering onto silicon surface, with different contact modes of solid-solid and solid-liquid-solid patterns. This study provides atomistic models for probing nanoscale ice adhesion mechanics and theoretical platforms for explaining experimental results. 展开更多
关键词 anti-icing atomistic modeling molecular dynamics adhesion interface mechanics
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基于分子动力学两集料间沥青的拉伸黏附机理 被引量:5
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作者 潘伶 张晋铭 +1 位作者 吕志田 林旭健 《建筑材料学报》 EI CAS CSCD 北大核心 2021年第5期1054-1059,1122,共7页
基于分子动力学(MD)模拟,建立了两集料间沥青的模型,研究了拉伸速率、温度对沥青-集料界面拉伸应力-位移曲线的影响,从原子尺度分析了沥青-集料界面的拉伸破坏形式和黏附机理,同时通过拟合拉伸应力-位移曲线,提出了适用于宏观数值分析... 基于分子动力学(MD)模拟,建立了两集料间沥青的模型,研究了拉伸速率、温度对沥青-集料界面拉伸应力-位移曲线的影响,从原子尺度分析了沥青-集料界面的拉伸破坏形式和黏附机理,同时通过拟合拉伸应力-位移曲线,提出了适用于宏观数值分析的内聚力模型.结果表明:当拉伸应力超过应力峰值后,沥青-集料的破坏由以黏附破坏为主转变为以黏聚破坏为主;拉伸速率越大,应力峰值越大;温度越高,应力峰值越小;沥青在拉伸应力达到应力峰值之前保持弹性状态,此时变形可逆,当拉伸应力超过应力峰值后,受到的损伤不可逆. 展开更多
关键词 沥青-集料界面 拉伸作用 黏附机理 内聚力模型 分子动力学模拟
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