Concepedia

Development of effective empirical potentials for molecular dynamics simulations of the structures and properties of boroaluminosilicate glasses

Lu Deng, Jincheng Du

Journal of Non-Crystalline Solids · 2016 · 131 citations · 44 references

Open access

Concepts

Natural SciencesMaterials SciencePhysicsComputational Materials ScienceMaterials ChemistryPhysical ChemistryAb Initio MethodsGlass MaterialsMaterial ModelingMolecular DynamicsMolecular SimulationPhase TransitionsBorosilicate GlassesEffective Core PotentialsEffective Interaction PotentialsGlass StructureGlass Transition ModelingGlass Transition StructureNetwork Structure Of Glass

References

44

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

Computing, High-performance Computing, Physics +10

The Elastic Behaviour of a Crystalline Aggregate

R. Hill · Proceedings of the Physical Society Section A · 1952 · 11.2K citations

Natural Sciences, Materials Engineering, Materials Science +17

The General Utility Lattice Program (<scp>GULP</scp>)

Julian D. Gale, Andrew L. Rohl · Molecular Simulation · 2003 · 2.3K citations

Natural Sciences, Materials Engineering, Materials Science +16

<i>Introduction to Modern Statistical Mechanics</i>

David Chandler, J. K. Percus · Physics Today · 1988 · 2K citations

Natural Sciences, Mathematics, Physics +17

The distribution of aluminum in the tetrahedra of silicates and aluminates

W.B. Loewenstein · American Mineralogist · 1954 · 1.8K citations

Natural Sciences, Materials Engineering, Materials Science +7