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Meeting MS&T25: Materials Science & Technology
Symposium Materials Under Extreme Environment
Presentation Title Molecular dynamics simulations of shock in the Ni-Al system
Author(s) Logan Nagy, Adib Samin
On-Site Speaker (Planned) Logan Nagy
Abstract Scope This study explores the response of Al-Ni alloys and compounds under shock loading with the use of molecular dynamics (MD) simulations. First, the study examines the effects of shocking fcc nickel aluminum solid solutions with 1, 4, and 6.5 at% aluminum. The study also explores the effect of crystallographic orientation on shocking intermetallic compounds Al3Ni and AlNi3 along the [001], [011], and [111] directions. The analysis then continues onto superalloys, shocking Ni matrices with AlNi3 precipitates and shocking Al matrices with Al3Ni precipitates. Superalloy-based simulations are conducted with precipitates of varying volume and position to better observe their effect on shock propagation. The Hugioniot and equations of state are derived for each simulation and metastable melting is analyzed. Finally, the study bridges the gap between the atomistic and continuum scales by applying material outputs from the MD simulation into a continuum hydrodynamic model.

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A high-throughput test methodology for determining the Hugoniot Elastic Limit
Coupled Extremes in Nanoindentation: Temperature and Strain Rate Effects in Structural Materials
Design of Oxidation Resistant HfC-TaC Ultra-High Temperature Ceramics Based on Thermodynamic and Kinetic Modeling of the Hf-Ta-C-O System
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Development of improved titanium coatings based on thermodynamic modeling and microstructure studies
Development of Superhard High-Entropy Carbide and Carbonitrides for Extreme Environments via FAST Sintering
High Temperature Ablation of Pressureless Sintered HfC-SiC-TaC Ceramics
Impact of Microstructure on the Oxidation Resistance of Silicon Carbide Manufactured by Two Step Sintering.
Microstructural Evolution and Strength of 3D-printed Oxide-Dispersion and Precipitate Strengthened Superalloys
Molecular dynamics simulations of shock in the Ni-Al system
Novel Energy Absorbing Ceramic Materials for Rotating Detonation Engines
On the role of grain boundaries in metal oxidation
Tailoring Microstructure and Phase Constitution of Ytterbium Disilicate Environmental Barrier Coatings Manufactured by Atmospheric Plasma Spraying
The effects of dynamic shock compression of REE-doped Cryptomelane (K-OMS-2)
UHTCMC green bodies formed by electrophoretic co-deposition of ZrC and SiC on carbon fiber
Understanding the effects of microstructure through crystal plasticity models

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