Free-energy based pair-additive potentials for bulk Ni-Al systems: Application to study Ni-Al reactive alloying

Mechanism of densification in silica glass under pressure as revealed by a bottom-up pairwise effective interaction model

(2012) Sergei Izvekov et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. IX. A general method for construction of three body coarse-grained force fields

(2012) Avisek Das et al.   JOURNAL OF CHEMICAL PHYSICS

Ignition of an exothermal reaction by collision between Al and Ni crystals

(2011) Francesco Delogu   JOURNAL OF APPLIED PHYSICS

Effect of thermal properties on self-propagating fronts in reactive nanolaminates

(2011) Leen Alawieh et al.   JOURNAL OF APPLIED PHYSICS

Particle-based multiscale coarse graining with density-dependent potentials: Application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine)

(2011) Sergei Izvekov et al.   JOURNAL OF CHEMICAL PHYSICS

Using force-matching to reveal essential differences between density functionals in ab initio molecular dynamics simulations

(2011) Sergei Izvekov et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. VII. Free energy decomposition of coarse-grained effective potentials

(2011) Lanyuan Lu et al.   JOURNAL OF CHEMICAL PHYSICS

A molecular dynamics study of the role of relative melting temperatures in reactive Ni/Al nanolaminates

(2011) N Scott Weingarten et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Melting, thermal expansion, and the Lindemann rule for elemental substances

(2010) A. V. Granato et al.   APPLIED PHYSICS LETTERS

Common misconceptions about the dynamical theory of crystal lattices: Cauchy relations, lattice potentials and infinite crystals

(2010) Luis Elcoro et al.   EUROPEAN JOURNAL OF PHYSICS

A molecular dynamics study of the role of pressure on the response of reactive materials to thermal initiation

(2010) N. Scott Weingarten et al.   JOURNAL OF APPLIED PHYSICS

Surface Tension and Density of Al−Ni Alloys

(2010) Donatella Giuranno et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials

(2010) Sergei Izvekov et al.   JOURNAL OF CHEMICAL PHYSICS

Polarizable interatomic force field forTiO2parametrized using density functional theory

(2010) X. J. Han et al.   PHYSICAL REVIEW B

Simulation of reactive nanolaminates using reduced models: II. Normal propagation

(2009) Maher Salloum et al.   COMBUSTION AND FLAME

Effect of varying bilayer spacing distribution on reaction heat and velocity in reactive Al/Ni multilayers

(2009) Robert Knepper et al.   JOURNAL OF APPLIED PHYSICS

A Generalized-Yvon−Born−Green Theory for Determining Coarse-Grained Interaction Potentials

(2009) J. W. Mullinax et al.   Journal of Physical Chemistry C

First-principles studies of Al–Ni intermetallic compounds

(2009) Dongmin Shi et al.   JOURNAL OF SOLID STATE CHEMISTRY

Development of an interatomic potential for the Ni-Al system

(2009) G.P. Purja Pun et al.   PHILOSOPHICAL MAGAZINE

Melting curve of aluminum up to 300 GPa obtained throughab initiomolecular dynamics simulations

(2009) J. Bouchet et al.   PHYSICAL REVIEW B

Phase transformations during rapid heating of Al/Ni multilayer foils

(2008) Jonathan C. Trenkle et al.   APPLIED PHYSICS LETTERS

Discrete reaction waves: Gasless combustion of solid powder mixtures

(2007) A.S. Mukasyan et al.   PROGRESS IN ENERGY AND COMBUSTION SCIENCE