Results 231 to 240 of about 2,903,061 (286)

Atomistic Simulations of Inorganic Nanowires

Journal of Nanoscience and Nanotechnology, 2009
Inorganic nanowires, such as those of metals, semiconductors and oxides, have attracted much research interest due to their unique material properties and present many possibilities for the development of revolutionary applications in materials science and technology.
L, Dai, V B C, Tan, C H, Sow, C T, Lim
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Atomistic/continuum simulation of interfacial fracture part I: Atomistic simulation

Acta Mechanica Sinica, 1994
The phenomenon of interfacial fracture, as manifested by atomistic cleavage, debonding and dislocation emission provides a challenge for combined atomistic-continuum analysis. As a precursor for fully coupled atomistic-continuum simulation[1] of interfacial fracture, we focus here on the atomistic behavior within a nanoscopic core surrounding the crack
Tan Honglai, Yang Wei
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Atomistic Simulation of the Transition from Atomistic to Macroscopic Cratering

Physical Review Letters, 2008
Using large-scale atomistic simulations, we show that the macroscopic cratering behavior emerges for projectile impacts on Au at projectile sizes between 1000 and 10000 Au atoms at impact velocities comparable to typical meteoroid velocities. In this size regime, we detect a compression of material in Au nanoparticle impacts similar to that observed ...
Juha, Samela, Kai, Nordlund
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Atomistic methods in fluid simulation

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2010
Atomistic methods, such as molecular dynamics and direct simulation Monte Carlo, constitute a powerful and growing set of techniques for fluid-dynamics simulation. The more fundamental nature of such methods, which exhibit nonlinear transport effects and small-scale fluctuations, extends their modelling accuracy to a significantly wider range of scales
Kadau, Kai, Barber, John L., Germann, Timothy C., Holian, Brad L., Alder, Berni J.   +4 more
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Atomistic Simulations of Thermal Unfolding

2021
This tutorial will provide a practical overview of the use of atomistic simulations to study thermal unfolding of biomolecules, in particular small proteins and RNA oligomers. The tutorial focuses on the use of atomistic, all atom simulations of biomolecules in explicit solvent, to study (reversible) thermal unfolding.
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Atomistic Simulations of Tunneling FETs

2016
© Springer International Publishing Switzerland 2016.With continuous scaling of semiconductor devices, the number of atoms in transistors becomes countable. Various effects related to the device atomic structure, such as random dopants, edge roughness, and channel-oxide interface, have great impact on device performance.
Liu, Fei, Shi, Qing, Wang, Jian, Guo, Hong   +3 more
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Visualization in atomistic and spin simulations

Computing in Science & Engineering, 2003
Certain basic demands from visualization code are common to all atomistic or spin systems; some are also relevant to more general visualization needs. Many commercial and homegrown visualization codes could meet these demands, but obviously the specific code used is less important than the fact that a visualization is made.
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Atomistic Simulations of Processes at Surfaces

2004
In this contribution, a review of the methodology for atomistic modeling of surface processes is given. The focus will be on the physical background of the methods used, their range of applicability, and their strengths and weaknesses for addressing specific problems. However, a few examples of selected applications will be presented as well. Some room
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The atomistic simulation of DNA

WIREs Computational Molecular Science, 2011
AbstractWe review the current state of the art relating to the atomistic simulation of the structure and dynamics of DNA. We begin with a brief historical overview to set the scene and introduce some of the key issues that had to be addressed to progress the field and then we divide our discussion of the current situation into two sections.
Charles A. Laughton, Sarah A. Harris
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Atomistic Simulation Methods

2010
From the time they were pioneered several decades ago, atomistic computer simulation methods such as molecular dynamics (MD) and Monte Carlo (MC) have led to great strides in the description of materials. The limitation of atomistic methods to simulating systems containing a small number of particles is a pathological problem in spite of continuous ...
Pierre Deymier, Vivek Kapila, Krishna Muralidharan   +2 more
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