80 research outputs found
Elastic interaction energy between a silicon interstitial and a carbon substitutional in a silicon crystal
An Efficient Molecular Dynamics Scheme for the Calculation of Dopant Profiles due to Ion Implantation
We present a highly efficient molecular dynamics scheme for calculating the
concentration depth profile of dopants in ion irradiated materials. The scheme
incorporates several methods for reducing the computational overhead, plus a
rare event algorithm that allows statistically reliable results to be obtained
over a range of several orders of magnitude in the dopant concentration.
We give examples of using this scheme for calculating concentration profiles
of dopants in crystalline silicon. Here we can predict the experimental profile
over five orders of magnitude for both channeling and non-channeling implants
at energies up to 100s of keV.
The scheme has advantages over binary collision approximation (BCA)
simulations, in that it does not rely on a large set of empirically fitted
parameters. Although our scheme has a greater computational overhead than the
BCA, it is far superior in the low ion energy regime, where the BCA scheme
becomes invalid.Comment: 17 pages, 21 figures, 2 tables. See: http://bifrost.lanl.gov/~reed
On the missing single collision peak in low energy heavy ion scattering
We present experimental and simulation data on the oblique angle scattering of heavy Sn ions at 14 keV energy from a Mo surface. The simulations are performed with the binary collision approximation codes TRIM, TRIDYN, TRI3DYN, SDTrimSP, and IMSIL. Additional simulations were performed in the molecular dynamics framework with LAMMPS. Our key finding is the absence of an expected peak in the experimental energy spectrum of backscattered Sn ions associated with the pure single collision regime. In sharp contrast to this, however, all simulation codes we applied do show a prominent single collision signature both in the energy spectrum and in the angular scatter pattern. We discuss the possible origin of this important discrepancy and show in the process, that widely used binary collision approximation codes may contain hidden parameters important to know and to understand.</p
Early-Age-Related Changes in Proteostasis Augment Immunopathogenesis of Sepsis and Acute Lung Injury
adult) mechanisms that augment immunopathogenesis of sepsis and acute lung injury. model to standardize the efficacy of salubrinal (inhibitor of eIF2α de-phosphorylation) in controlling the accumulation of ubiquitinated proteins and the NFκB levels. Finally, we evaluated the therapeutic efficacy of salubrinal to correct proteostasis-imbalance in the adult mice based on its ability to control CLP induced IL-6 secretion or recruitment of pro-inflammatory cells.Our data demonstrate the critical role of early-age-related proteostasis-imbalance as a novel mechanism that augments the NFκB mediated inflammation in sepsis and ALI. Moreover, our data suggest the therapeutic efficacy of salubrinal in restraining NFκB mediated inflammation in the adult or older subjects
Monte Carlo Simulation of Multiple-Species Ion Implantation and its Application to the Modeling of 0.1µ PMOS Devices
Measures of the acculturative response to trade on the central coast of British Columbia
VerÄnderungen des morphologischen Bluthildes bei akuter und chronischer Darminhaltsstauung
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