16 results on '"Goddard III, William A."'
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2. ReaxFF Reactive Molecular Dynamics: Coupling Mechanical Impact to Chemical Initiation in Energetic Materials
3. Reactive Molecular Dynamics of Shock- and Shear-Induced Chemistry in Energetic Materials for Future Force Insensitive Munitions
4. Direct atomistic simulation of brittle-to-ductile transition in silicon single crystals.
5. PREDICTION OF STRUCTURE OF G-PROTEIN COUPLED RECEPTORS AND OF BOUND LIGANDS, WITH APPLICATIONS FOR DRUG DESIGN.
6. Quantization of crack speeds in dynamic fracture of silicon: Multiparadigm ReaxFF modeling.
7. Multi-paradigm multi-scale modeling of dynamical crack propagation in silicon using the ReaxFF reactive force field.
8. Formation of water at a Pt(111) surface: A study using the reactive force field (ReaxFF).
9. The Computational Materials Design Facility (CMDF): A powerful framework for multi-paradigm multi-scale simulations.
10. Initial Chemical Events in the Energetic Material RDX under Shock Loading: Role of Defects.
11. Ab Initio Studies On Phase Behavior of Barium Titanate.
12. Si + SiH4 Reactions and Implications for Hot-Wire CVD of a-Si:H: Computational Studies.
13. Deformation Behavior of FCC Crystalline Metallic Nanowires Under High Strain Rates.
14. Calculation of Mechanical, Thermodynamic and Transport Properties of Metallic Glass Formers.
15. Recent Advances in Simulation of Dendritic Polymers.
16. Pressure Induced Phase Transformations in Silica.
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