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	Simulation of elastic wave propagation in fcc copper and fcc nickel Pelikán, Vladimír ; Hora, Petr ; Machová, Anna We present large-scale molecular dynamic simulations of wave propagation in fcc copper and fcc nickel based on an N-body potential model which gives a good description of anisotropic elasticity. We show that the basic behavior of the simulations is in agreement with the predictions of continuum models. Detailed record
	Wave propagation simulations by molecular dynamics methods Pelikán, Vladimír ; Hora, Petr ; Machová, Anna We present large-scale molecular dynamic simulations of wave propagationin alfa-iron based on an N-body potential model which gives a good descriptionof anisotropic elasticity. We show that the basic behavior of the simulations is inagreement with the predictions of continuum models. Detailed record
	Parallel programming in molecular dynamics simulations Pelikán, Vladimír ; Hora, Petr ; Machová, Anna Molecular dynamics simulation is a well-established technique for modeling complex many-particle systems in diverse areas of physics and chemistry. The computational requirements of simulations of large systems are enormous. They make the use of high-performance parallel computers indispensable and have led to the development of a broad range of advanced algorithms for these machines. We have developed a classical molecular dynamics code in MPI based on Newtonian dynamics. Detailed record
	Simulace radiačního poškozování v železe (Z 1309/01) Pelikán, Vladimír ; Machová, Anna The research report presents a new code DynRad3D for simulations of radiation damage by molecular dynamic technique and as well, some new results at 600 K. Detailed record
	Atomistic simulation of brittle-ductile behaviour of alpha iron Rosecký, Zdeněk ; Machová, Anna ; Cejp, J. The work may be used to the formulation of criterias of brittle-ductile behaviour of crystalistic materials. Detailed record
	Dislocation emission from the crack tip in bcc iron Rosecký, Zdeněk ; Machová, Anna ; Cejp, J. Atomistic simulations under plane strain conditions by molecular dynamic technique in bcc iron show that microcracks with orientation (-110)[110] can emitt complete edge dislocations in the slip systems <111>{112}. Motion of the dislocations away from Detailed record
	Influence of temperature on residual stress and damage in bcc iron containing Cu nanoparticles Machová, Anna The paper is devoted to 3D molecular dynamic simulations in bcc iron containing coherent copper nano-particles and to analysis of thermal effects on residual stress and damage in the Fe-Cu system. Detailed record
	Simulations of brittle-ductile behavior of crucks in alfha iron Rosecký, Zdeněk ; Machová, Anna Atomistic simulations in bcc iron under plane strain show that cracks with orientation (-110) [110] emitt dislocations which causes crack blunting and crack stability near the critical Griffith stress. Detailed record
	Simulations of temperature and thermal expansion in bcc iron by molecular dynamics, comparison with experiments Machová, Anna The contribution presents some results from atomistic simulations of thermal expansion in bcc iron.the atomistic results agree well with experimental values for thermal expansion in iron. Detailed record
	Transonic twinning from the crack tip /Z 1281/00/ Červ, Jan ; Landa, Michal ; Machová, Anna Molecular dynamic simulations in bcc iron show that transonic twinning from the crack tip is possible at low temperatures. The speed of twin expansion is larger than the velocity of shear stress waves along the slip systems <111>{112} in a perfect bcc iron crystal. Detailed record

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