136 research outputs found
A Fluid Dynamics Calculation of Sputtering from a Cylindrical Thermal Spike
The sputtering yield, Y, from a cylindrical thermal spike is calculated using
a two dimensional fluid dynamics model which includes the transport of energy,
momentum and mass. The results show that the high pressure built-up within the
spike causes the hot core to perform a rapid expansion both laterally and
upwards. This expansion appears to play a significant role in the sputtering
process. It is responsible for the ejection of mass from the surface and causes
fast cooling of the cascade. The competition between these effects accounts for
the nearly linear dependence of with the deposited energy per unit depth
that was observed in recent Molecular Dynamics simulations. Based on this we
describe the conditions for attaining a linear yield at high excitation
densities and give a simple model for this yield.Comment: 10 pages, 9 pages (including 9 figures), submitted to PR
Crater formation by fast ions: comparison of experiment with Molecular Dynamics simulations
An incident fast ion in the electronic stopping regime produces a track of
excitations which can lead to particle ejection and cratering. Molecular
Dynamics simulations of the evolution of the deposited energy were used to
study the resulting crater morphology as a function of the excitation density
in a cylindrical track for large angle of incidence with respect to the surface
normal. Surprisingly, the overall behavior is shown to be similar to that seen
in the experimental data for crater formation in polymers. However, the
simulations give greater insight into the cratering process. The threshold for
crater formation occurs when the excitation density approaches the cohesive
energy density, and a crater rim is formed at about six times that energy
density. The crater length scales roughly as the square root of the electronic
stopping power, and the crater width and depth seem to saturate for the largest
energy densities considered here. The number of ejected particles, the
sputtering yield, is shown to be much smaller than simple estimates based on
crater size unless the full crater morphology is considered. Therefore, crater
size can not easily be used to estimate the sputtering yield.Comment: LaTeX, 7 pages, 5 EPS figures. For related figures/movies, see:
http://dirac.ms.virginia.edu/~emb3t/craters/craters.html New version uploaded
5/16/01, with minor text changes + new figure
Coulomb Explosion and Thermal Spikes
A fast ion penetrating a solid creates a track of excitations. This can
produce displacements seen as an etched track, a process initially used to
detect energetic particles but now used to alter materials. From the seminal
papers by Fleischer et al. [Phys. Rev. 156, 353 (1967)] to the present [C.
Trautmann, S. Klaumunzer and H. Trinkaus, Phys. Rev. Lett. 85, 3648 (2000)],
`Coulomb explosion' and thermal spike models are treated as conflicting models
for describing ion track effects. Here molecular dynamics simulations of
electronic-sputtering, a surface manifestation of ion track formation, show
that `Coulomb explosion' produces a `heat' spike so that these are early and
late aspects of the same process. Therefore, differences in scaling are due to
the use of incomplete spike models.Comment: Submitted to PRL. 4 pages, 3 figures. For related movies see:
http://dirac.ms.virginia.edu/~emb3t/coulomb/coulomb.html PACS added in new
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Do grain boundaries in nanophase metals slide?
Nanophase metallic materials show a maximum in strength as grain size decreases to the nano scale, indicating a break down of the Hall-Petch relation. Grain boundary sliding, as a possible accommodation mechanisms, is often the picture that explain computer simulations results and real experiments. In a recent paper, Bringa et al. Science 309, 1838 (2005), we report on the observation of an ultra-hard behavior in nanophase Cu under shock loading, explained in terms of a reduction of grain boundary sliding under the influence of the shock pressure. In this work we perform a detailed study of the effects of hydrostatic pressure on nanophase Cu plasticity and find that it can be understood in terms of pressure dependent grain boundary sliding controlled by a Mohr-Coulomb law
A feasibility analysis towards the simulation of hysteresis with spin-lattice dynamics
We use spin-lattice dynamics simulations to study the possibility of modeling
the magnetic hysteresis behavior of a ferromagnetic material. The temporal
evolution of the magnetic and mechanical degrees of freedom is obtained through
a set of two coupled Langevin equations. Hysteresis loops are calculated for
different angles between the external field and the magnetocrystalline
anisotropy axes. The influence of several relevant parameters is studied,
including the field frequency, magnetic damping, magnetic anisotropy (magnitude
and type), magnetic exchange, and system size. The role played by a moving
lattice is also discussed. For a perfect bulk ferromagnetic system we find
that, at low temperatures, the exchange and lattice dynamics barely affect the
loops, while the field frequency and magnetic damping have a large effect on
it. The influence of the anisotropy magnitude and symmetry are found to follow
the expected behavior. We show that a careful choice of simulation parameters
allows for an excellent agreement between the spin-lattice dynamics
measurements and the paradigmatic Stoner-Wohlfarth model. Furthermore, we
extend this analysis to intermediate and high temperatures for the perfect bulk
system and for spherical nanoparticles, with and without defects, reaching
values close to the Curie temperature. In this temperature range, we find that
lattice dynamics has a greater role on the magnetic behavior, especially in the
evolution of the defective samples. The present study opens the possibility for
more accurate inclusion of lattice defects and thermal effects in hysteresis
simulation
Surface effects on the radiation response of nanoporous Au foams
We report on an experimental and simulation campaign aimed at exploring the radiation response of nanoporous Au(np-Au) foams. We find different defect accumulation behavior by varying radiation dose-rate in ion-irradiated np-Au foams. Stacking fault tetrahedra are formed when np-Au foams are irradiated at high dose-rate, but they do not seem to be formed in np-Au at low dose-rate irradiation. A model is proposed to explain the dose-rate dependent defect accumulation based on these results.Fil: Fu, E. G.. Los Alamos National High Magnetic Field Laboratory; Estados UnidosFil: Caro, M.. Los Alamos National High Magnetic Field Laboratory; Estados UnidosFil: Zepeda Ruiz, L. A.. Lawrence Livermore National Laboratory. Physical and Life Sciences Directorate; Estados UnidosFil: Wang, Y. Q.. Los Alamos National High Magnetic Field Laboratory; Estados UnidosFil: Baldwin, K.. Los Alamos National High Magnetic Field Laboratory; Estados UnidosFil: Bringa, Eduardo Marcial. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; ArgentinaFil: Nastasi, M.. University of Nebraska-Lincoln. Nebraska Center for Energy Sciences Research; Estados UnidosFil: Caro, A.. Los Alamos National High Magnetic Field Laboratory; Estados Unido
Polycrystalline Ni nanotubes under compression: a molecular dynamics study
Mechanical properties of nanomaterials, such as nanowires and nanotubes, are an important feature for the design of novel electromechanical nano-architectures. Since grain boundary structures and surface modifications can be used as a route to modify nanostructured materials, it is of interest to understand how they affect material strength and plasticity. We report large-scale atomistic simulations to determine the mechanical response of nickel nanowires and nanotubes subject to uniaxial compression. Our results suggest that the incorporation of nanocrystalline structure allows completely flexible deformation, in sharp contrast with single crystals. While crystalline structures at high compression are dominated by dislocation pinning and the multiplication of highly localized shear regions, in nanocrystalline systems the dislocation distribution is significantly more homogeneous. Therefore, for large compressions (large strains) coiling instead of bulging is the dominant deformation mode. Additionally, it is observed that nanotubes with only 70% of the nanowire mass but of the same diameter, exhibit similar mechanical behavior up to 0.3 strain. Our results are useful for the design of new flexible and light-weight metamaterials, when highly deformable struts are required.Fil: Rojas Nunez, J.. Universidad de Santiago de Chile; ChileFil: Baltazar, S. E.. Universidad de Santiago de Chile; ChileFil: Gonzalez, R. I.. Universidad Mayor; ChileFil: Bringa, Eduardo Marcial. Universidad Mayor; Chile. Universidad de Mendoza. Facultad de Ingeniería; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Allende, S.. Universidad de Santiago de Chile; ChileFil: Kiwi, M.. Universidad de Santiago de Chile; ChileFil: Valencia, F. J.. Universidad de Santiago de Chile; Chile. Universidad Mayor; Chil
Why nanoprojectiles work differently than macroimpactors: The role of plastic flow
Atomistic simulation data on crater formation due to the hypervelocity impact of nanoprojectiles of up to 55 nm diameter and with targets containing up to 10^10 atoms are compared to available experimental data on micron-, mm-, and cm-sized projectiles. We show that previous scaling laws do not hold in the nanoregime and outline the reasons: within our simulations we observe that the cratering mechanism changes, going from the smallest to the largest simulated scales, from an evaporative regime to a regime where melt and plastic flow dominate, as is expected in larger microscale experiments. The importance of the strain-rate dependence of strength and of dislocation production and motion are discussed.Fil: Anders, Christian. Universitat Kaiserslautern; AlemaniaFil: Bringa, Eduardo Marcial. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; ArgentinaFil: Ziegenhain, Gerolf. Universitat Kaiserslautern; AlemaniaFil: Graham, Giles A.. Natural History Museum; Reino UnidoFil: Hansen, J. Freddy. Lawrence Livermore National Laboratory; Estados UnidosFil: Park, Nigel. No especifíca;Fil: Teslich, Nick E.. Lawrence Livermore National Laboratory; Estados UnidosFil: Urbassek, Herbert M.. Universitat Kaiserslautern; Alemani
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