Bent surface free energy differences from simulation
نویسندگان
چکیده
منابع مشابه
Bent surface free energy differences from simulation
We present a calculation of the change of free energy of a solid surface upon bending of the solid. It is based on extracting the surface stress through a molecular dynamics simulation of a bent slab by using a generalized stress theorem formula, and subsequent integration of the stress with respect to strain as a function of
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For implementation
 of the free surface boundary condition, a new subroutine has been introduced to an existing steady 3-D body fitted code. This code was previously written for steady flow simulation in closed ducts. The algorithm used in this subroutine reduces the instability problem according to the free surface wave generation. For code validation, it was applied to two different open c...
متن کاملNumerical Simulation of Free Surface Flows and Comparison of Symmetry and Real Boundary Conditions at the Free Surface
For implementation of the free surface boundary condition, a new subroutine has been introduced to an existing steady 3-D body fitted code. This code was previously written for steady flow simulation in closed ducts. The algorithm used in this subroutine reduces the instability problem according to the free surface wave generation. For code validation, it was applied to two different open cha...
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Consider a finite classical system in contact with a heat reservoir. A central concept in thermodynamics is that of the work performed on such a system, when some external parameters of the system are made to change with time. (These parameters may represent, for instance, the strength of an external field, or the volume of space within which the system is confined, or, more abstractly, some pa...
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ژورنال
عنوان ژورنال: Surface Science
سال: 2001
ISSN: 0039-6028
DOI: 10.1016/s0039-6028(01)00709-9