87 research outputs found
Comparison of quantum mechanical and classical trajectory calculations of cross sections for ion-atom impact ionization of negative - and positive -ions for heavy ion fusion applications
Stripping cross sections in nitrogen have been calculated using the classical
trajectory approximation and the Born approximation of quantum mechanics for
the outer shell electrons of 3.2GeV I and Cs ions. A large
difference in cross section, up to a factor of six, calculated in quantum
mechanics and classical mechanics, has been obtained. Because at such high
velocities the Born approximation is well validated, the classical trajectory
approach fails to correctly predict the stripping cross sections at high
energies for electron orbitals with low ionization potential.Comment: submitted to Phys. Rev.
Equivalent thermo-mechanical parameters for perfect crystals
Thermo-elastic behavior of perfect single crystal is considered. The crystal
is represented as a set of interacting particles (atoms). The approach for
determination of equivalent continuum values for the discrete system is
proposed. Averaging of equations of particles' motion and long wave
approximation are used in order to make link between the discrete system and
equivalent continuum. Basic balance equations for equivalent continuum are
derived from microscopic equations. Macroscopic values such as Piola and Cauchy
stress tensors and heat flux are represented via microscopic parameters.
Connection between the heat flux and temperature is discussed. Equation of
state in Mie-Gruneisen form connecting Cauchy stress tensor with deformation
gradient and thermal energy is obtained from microscopic considerations.Comment: To be published in proceedings of IUTAM Simposium on "Vibration
Analysis of Structures with Uncertainties", 2009; 14 pages
Effect of stress-triaxiality on void growth in dynamic fracture of metals: a molecular dynamics study
The effect of stress-triaxiality on growth of a void in a three dimensional
single-crystal face-centered-cubic (FCC) lattice has been studied. Molecular
dynamics (MD) simulations using an embedded-atom (EAM) potential for copper
have been performed at room temperature and using strain controlling with high
strain rates ranging from 10^7/sec to 10^10/sec. Strain-rates of these
magnitudes can be studied experimentally, e.g. using shock waves induced by
laser ablation. Void growth has been simulated in three different conditions,
namely uniaxial, biaxial, and triaxial expansion. The response of the system in
the three cases have been compared in terms of the void growth rate, the
detailed void shape evolution, and the stress-strain behavior including the
development of plastic strain. Also macroscopic observables as plastic work and
porosity have been computed from the atomistic level. The stress thresholds for
void growth are found to be comparable with spall strength values determined by
dynamic fracture experiments. The conventional macroscopic assumption that the
mean plastic strain results from the growth of the void is validated. The
evolution of the system in the uniaxial case is found to exhibit four different
regimes: elastic expansion; plastic yielding, when the mean stress is nearly
constant, but the stress-triaxiality increases rapidly together with
exponential growth of the void; saturation of the stress-triaxiality; and
finally the failure.Comment: 35 figures, which are small (and blurry) due to the space
limitations; submitted (with original figures) to Physical Review B. Final
versio
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