The embedded-atom method: a review of theory and applications
The embedded-atom method is a semi-empirical method for performing calculations of
defects in metals. The EAM incorporates a picture of metallic bonding, for which there is …
defects in metals. The EAM incorporates a picture of metallic bonding, for which there is …
Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects
The structural properties of free nanoclusters are reviewed. Special attention is paid to the
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …
Increased plant growth in the northern high latitudes from 1981 to 1991
Variations in the amplitude and timing of the seasonal cycle of atmospheric CO2 have
shown an association with surface air temperature consistent with the hypothesis that …
shown an association with surface air temperature consistent with the hypothesis that …
Interatomic potentials from first-principles calculations: the force-matching method
F Ercolessi, JB Adams - Europhysics Letters, 1994 - iopscience.iop.org
We present a new scheme to extract numerically" optimal" interatomic potentials from large
amounts of data produced by first-principles calculations. The method is based on fitting the …
amounts of data produced by first-principles calculations. The method is based on fitting the …
Interatomic potentials for monoatomic metals from experimental data and ab initio calculations
We demonstrate an approach to the development of many-body interatomic potentials for
monoatomic metals with improved accuracy and reliability. The functional form of the …
monoatomic metals with improved accuracy and reliability. The functional form of the …
Theoretical chemistry of gold
P Pyykkö - Angewandte Chemie International Edition, 2004 - Wiley Online Library
Theoretical Chemistry of Gold - Pyykkö - 2004 - Angewandte Chemie International Edition - Wiley
Online Library Skip to Article Content Skip to Article Information Wiley Online Library Wiley …
Online Library Skip to Article Content Skip to Article Information Wiley Online Library Wiley …
Highly optimized embedded-atom-method potentials for fourteen fcc metals
Highly optimized embedded-atom-method (EAM) potentials have been developed for 14
face-centered-cubic (fcc) elements across the periodic table. The potentials were developed …
face-centered-cubic (fcc) elements across the periodic table. The potentials were developed …
Interatomic potentials: Achievements and challenges
Interatomic potentials approximate the potential energy of atoms as a function of their
coordinates. Their main application is the effective simulation of many-atom systems. Here …
coordinates. Their main application is the effective simulation of many-atom systems. Here …
[LIVRE][B] Handbook of nanoscience, engineering, and technology
Nanotechnology, science, and engineering spearhead the 21st century revolution that is
leading to fundamental breakthroughs in the way materials, devices, and systems are …
leading to fundamental breakthroughs in the way materials, devices, and systems are …
Texts in Computational Science and Engineering
The rapid development of parallel computing systems made it possible to recreate and
predict physical processes on computers. Nowadays, computer simulations complement …
predict physical processes on computers. Nowadays, computer simulations complement …