Interface energy and its influence on interface fracture between metal and ceramic thin films in nanoscale

A theoretical model about the size-dependent interface energy between two thin films with different materials is developed by considering the chemical bonding contribution based on the thermodynamic expressions and the structure strain contribution based on the mechanical characteristics. The interface energy decreases with reducing thickness of thin films, and is determined by such available thermodynamic and mechanical parameters as the melting entropy, the melting enthalpy, the shear modulus of two materials, etc. The predicted interface energies of some metal/MgO and metal/Al2O3 interfaces based on the model are consistent with the results based on the molecular mechanics calculation. Furthermore, the interface fracture properties of Ag/MgO and Ni/Al2O3 based on the atomistic simulation are further compared with each other. The fracture strength and the toughness of the interface with the smaller structure interface energy are both found to be lower. The intrinsic relations among the interface energy, the interface strength, and the fracture toughness are discussed by introducing the related interface potential and the interface stress. The microscopic interface fracture toughness is found to equal the structure interface energy in nanoscale, and the microscopic fracture strength is proportional to the fracture toughness. (C) 2010 American Institute of Physics. [doi:10.1063/1.3501090]

Thermodynamic theory of the Tolman's length

There still exists controversy on the sign and magnitude of the Tolman's length and the Tolman's gap. Further experimental, computational and theoretical investigations on them are needed to solve this problem. In 2006, Blokhuis and Kuipers obtained a rigorous relationship between the Tolman's length and other thermodynamic quantities for the single-component liquid-vapour system. In the present paper, we derive two general relationships between the Tolman's length and other thermodynamic quantities for the single-component liquid vapour system. The relationship derived by Blokhuis and Kuipers and an earlier result turn out to be two special cases of our results.

Calculation of Hugoniot properties for shocked nitromethane based on the improved Tsien's EOS

We have calculated the Hugoniot properties of shocked nitromethane based on the improved Tsien's equation of state (EOS) that optimized by "exact" numerical molecular dynamic data at high temperatures and pressures. Comparison of the calculated results of the improved Tsien's EOS with the existed experimental data and the direct simulations show that the behavior of the improved Tsien's EOS is very good in many aspects. Because of its simple analytical form, the improved Tsien's EOS can be prospectively used to study the condensed explosive detonation coupling with chemical reaction.

CFD analysis of thermodynamic cycles in a pulse tube refrigerator

The objectives of this paper are to study the thermodynamic cycles in an inertance tube pulse tube refrigerator (ITPTR) by means of CFD method The simulation results show that gas parcels working in different parts of ITPTR undergo different thermodynamic cycles The net effects of those thermodynamic cycles are pumping heat from the low temperature part to the high temperature part of the system The simulation results also show that under different frequencies of piston movement the gas parcels working in the same part of the system will undergo the same type of thermodynamic cycles The simulated thermal cycles are compared with those thermodynamic analysis results from a reference Comparisons show that both CFD simulations and theoretical analysis predict the same type of thermal cycles at the same location However only CFD simulation can give the quantitative results while the thermodynamic analysis is still remaining in quality (C) 2010 Elsevier Ltd All rights reserved