A5006672117- Solidification and crystal growth phenomena
- Aluminum Alloy Microstructure Properties
- Microstructure and mechanical properties
- nanoparticles nucleation surface interactions
- Advanced ceramic materials synthesis
- Shape Memory Alloy Transformations
- Metallurgy and Material Forming
- Aluminum Alloys Composites Properties
- MXene and MAX Phase Materials
- 2D Materials and Applications
- Metallurgical Processes and Thermodynamics
- Bone Tissue Engineering Materials
- Graphene research and applications
- Nuclear Materials and Properties
- Advanced materials and composites
- High Entropy Alloys Studies
- Numerical methods in engineering
- Welding Techniques and Residual Stresses
- Ferroelectric and Piezoelectric Materials
- High-Temperature Coating Behaviors
- Advanced Welding Techniques Analysis
- Boron and Carbon Nanomaterials Research
- High Temperature Alloys and Creep
- Fusion materials and technologies
- Fluid Dynamics and Thin Films
Colorado School of Mines
2018-2024
Missouri University of Science and Technology
2012-2020
Phelps County Regional Medical Center
2018
Mississippi State University
2010-2012
Washington State University
2008-2010
Shiraz University
2005-2006
Elastocaloric cooling, which exploits the latent heat released and absorbed as stress-induced phase transformations are reversibly cycled in shape memory alloys, has recently emerged a frontrunner non-vapor-compression cooling technologies. The intrinsically high thermodynamic efficiency of elastocaloric materials is limited only by work hysteresis. Here, we report on creating high-performance low-hysteresis via additive manufacturing Titanium-Nickel (Ti-Ni) alloys. Contrary to established...
Ni<sub>3</sub>Te<sub>2</sub> has been reported as a highly efficient OER electrocatalyst with an overpotential of 180 mV at 10 mA cm<sup>−2</sup> and also showing HER catalytic activity in alkaline medium.
The structural, elastic and electronic properties of two-dimensional (2D) titanium carbide/nitride based pristine (Tin+1Cn/Tin+1Nn) functionalized MXenes (Tin+1CnT2/Tin+1NnT2, T stands for the terminal groups: -F, -O -OH, n = 1, 2, 3) are investigated by density functional theory calculations. Carbide-based possess larger lattice constants monolayer thicknesses than nitride-based MXenes. in-plane Young's moduli Tin+1Nn those Tin+1Cn, whereas in both systems they decrease with increase...
Designing high-efficiency electrocatalysts for water oxidation has become an increasingly important concept in the catalysis community due to its implications clean energy generation and storage. In this respect transition-metal-doped mixed-metal selenides incorporating earth-abundant elements such as Ni Fe have attracted attention their unexpectedly high electrocatalytic activity toward oxygen evolution reaction (OER) with low overpotential alkaline medium. article, quaternary selenide...
Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics (MD) simulations utilizing the second nearest neighbor modified embedded atom method (MEAM) potentials. The natural spontaneous homogenous Al produced without any influence of pressure, free surface effects and impurities. Initially isothermal crystal undercooled studied at different constant temperatures, later superheated quenched with cooling rates. structure nuclei, critical nucleus size,...
Abstract Rechargeable batteries can effectively mitigate the increasing crisis associated with clean energy storage technologies. The alkali metal-ion based rechargeable require a low diffusion barrier, average open-circuit voltage (OCV), and high capacity for their superior performance. Using comprehensive first-principle calculations, we demonstrate that calcium carbide monolayer (Ca 2 C-ML) MXene meets all aforementioned criteria is anode material lithium (Li), sodium (Na), potassium (K)...
In this paper, molecular dynamics (MD) simulations based on the modified-embedded atom method (MEAM) and a phase-field crystal (PFC) model are utilized to quantitatively investigate solid-liquid properties of Fe. A set second nearest-neighbor MEAM parameters for high-temperature applications developed Fe, coexisting approach is in MD accurately calculate melting point, expansion melting, latent heat, interface free energy, surface anisotropy. The required input determine PFC parameters, such...
Two-dimensional and quasi-two-dimensional materials are important nanostructures because of their exciting electronic, optical, thermal, chemical mechanical properties. However, a single-layer nanomaterial may not possess particular property adequately, or multiple desired properties simultaneously. Recently new trend has emerged to develop nano-heterostructures by assembling monolayers different achieve various tunable For example, transition metal dichalcogenides such as MoS2 show...
First-principles density functional theory (DFT) computations were adopted to assess the potential application of a boron carbide (BC3) monolayer with point and topological defects as an anode material in alkali metal-based lithium (Li) ion rechargeable batteries. Results show that (mono bi vacancies) induce large structural deformation upon Li intercalation which restricts their use for application. However, Stone–Wales defect filled BC3 shows high stability negative binding energy −1.961...
Synthesis and processing of two- or three-dimensional covalent organic frameworks (COFs) have been limited by solvent intractability sluggish condensation kinetics. Here, we report on the electrochemical deposition poly(5,10,15,20-tetrakis(4-aminophenyl)porphyrin)-covalent (POR-COFs) via formation phenazine linkages. By adjusting synthetic parameters, demonstrate rapid bottom-up synthesis COF dendrites. Both experiment density functional theory underline prominent role pyridine, not only as...
We proposed a boron–phosphorus monolayer (BP-ML) and investigated its gas sensing properties by density functional theory including the van der Waals dispersion correction term. Electronic property analysis reveals that BP-ML is semiconductor with an indirect bandgap of 0.54 eV. The adsorption energy calculations nitrogen-containing gases (NCGs) such as N2O, NO2, NH3, NO show these are physisorbed on surface. Among studied NCGs, NO2 molecule exhibits relatively higher charge (0.43 e), which...
Combined effects of the cooling rate, alloy composition, and crystal-melt (CM) interfacial anisotropy on solidification Al-Cu alloys are studied by integrating molecular dynamics phase-field simulations. Capillary fluctuation method is used to determine CM energy properties simulations for ranging from 3 11 at% Cu. While average decreases with increasing Cu content, its does not present a clear trend composition change. Primary secondary dendrite arm spacings as well θ-phase fraction...