Advanced Engineering Materials, EarlyView.A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
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A Review on Dehydration of C(-A)-S-H and Rehydration of Dehydrated C(-A)-S-H for Recycled Cement. [PDF]
Materials (Basel)Wang R, Wang J.
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<i>pyDiSCaMB</i>: enabling the use of multipolar scattering factors in <i>Phenix</i>. [PDF]
J Appl CrystallogrFemoen VJ +12 more
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Dislocation analysis and structural characteristics of feal alloys under different heating rates using molecular dynamics simulation. [PDF]
Sci RepRidwan R, Sudarno S, Nuriana W.
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Detection of gas bubbles and local voids in molecular simulations using burbuja. [PDF]
Protein SciMuñiz-Chicharro A +2 more
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Molecular Dynamics Simulation of the Mechanical Properties of Nanolayered Zr-Nb Alloys: Effects of Orientation and Layer Thickness. [PDF]
Materials (Basel)Deng F, Liu G, Yan J, Zhou Y, Ouyang Y.
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Effect of Bi<sup>3+</sup> on the physical, mechanical, and dielectric properties of cadmium silicate glasses for energy storage devices. [PDF]
RSC AdvDarwish AG +3 more
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Atomic polarizability, volume and ionization energy
The Journal of Chemical Physics, 2002Our primary focus in this work has been upon the relationship between atomic polarizability and volume, although we also looked at the role of ionization energy. For approximating volumes in this context, we tried ten different measures of atomic radii, based upon both empirical and theoretical criteria.
Peter Politzer, Ping Jin, Jane S. Murray
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