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A breathing sphere model is developed for molecular dynamics simulations of laser ablation and desorption of organic solids. An approximate representation of the internal molecular motion permits a significant expansion of the time and length scales of the model and still allows one to reproduce a realistic rate of the vibrational relaxation of excited(More)
An efficient emission of picosecond bunches of energetic protons and carbon ions from a thin layer spalled from a organic solid by a laser prepulse is demonstrated numerically. We combine the molecular dynamics technique and multi-component collisional particle-in-cell method with plasma ionization to simulate the laser spallation and ejection of a thin (∼(More)
With the ever-decreasing size of microelectronics, growing applications of superlattices, and development of nanotechnology, thermal resistances of interfaces are becoming increasingly central to thermal management. Although there has been much success in understanding thermal boundary resistance (TBR) at low temperature, the current models for room(More)
The kinetics and microscopic mechanisms of laser melting and disintegration of thin Ni and Au films irradiated by a short, from 200 fs to 150 ps, laser pulse are investigated in a coupled atomistic-continuum computational model. The model provides a detailed atomic-level description of fast nonequilibrium processes of laser melting and film disintegration(More)
The results of large-scale molecular dynamics simulations demonstrate that the mechanisms responsible for material ejection as well as most of the parameters of the ejection process have a strong dependence on the rate of the laser energy deposition. For longer laser pulses, in the regime of thermal confinement, a phase explosion of the overheated material(More)
The dependence of the strength of the electron-phonon coupling and the electron heat capacity on the electron temperature is investigated for eight representative metals, conditions of strong electron-phonon nonequilibrium. These conditions are characteristic of metal targets subjected to energetic ion bombardment or short-pulse laser irradiation.(More)
The physical mechanisms and molecular-level picture of laser-induced material ejection from frozen solutions of polymer molecules in a volatile matrix are investigated in a series of coarse-grained molecular dynamics simulations. The simulations are performed for polymer concentrations up to 6 wt % and laser fluences covering the range from the regime where(More)
A mesoscopic model is developed for static and dynamic simulations of nanomechanics of carbon nanotubes ͑CNTs͒. The model is based on a coarse-grained representation of CNTs as " breathing flexible cylinders " consisting of a variable number of segments. Internal interactions within a CNT are described by a mesoscopic force field designed and parameterized(More)
The scaling laws describing the thermal conductivity in random networks of straight conducting nanofibers are derived analytically and verified in numerical simulations. The applicability of the scaling laws to more complex structures of interconnected networks of bundles in carbon nanotube (CNT) films and mats is investigated in mesoscopic simulations. The(More)