Anharmonicit3t but absence of surface melting on Al(001)
Anharmonicit3t but absence of surface melting on Al(001)
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发表时间：
2011
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通讯作者：
A. M. Molenbroek;-J.;W. M. Frenken
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作者：
A. M. Molenbroek;-J.;W. M. Frenken
用中能离子散射测量和蒙特卡罗模拟研究了Al(001)表面随温度的变化。表面不会发生熔化，表面在体熔融点T=933之前保持良好的有序性。用来模拟Al原子相互作用的有效介质势和模拟Al(001)表面上的离子散射计算相结合，重现了非常WE11的离子散射强度。蒙特卡罗模拟表明，表面弛豫和振动幅度都表现出强烈的非谐和行为，这种行为延伸到晶体中的几层，并随着温度的升高而增加。
Medium-energy ion-scattering measurements and Monte Carlo simulations have been used to study the Al(001) surface as a function of temperature. Surface melting does not occur and the surface stays well ordered up to the bulk melting point T =933. 52 K. The combination of the effective-medium potential, used to simulate the interacting Al atoms, and ion-scattering calculations on the simulated Al(001) surface, reproduces the ion-scattering intensities very we11. The Monte Carlo simulations show that the surface relaxations and the vibration amplitudes both display strongly anharmonie behavior which extends several layers into the crystal and increases with increasing temperature.