32 citations · 88 across the 15 of their papers we have counts for
16 papers
Spall failure of alumina at high-strain rates using femtosecond laser experiments and high-fidelity molecular dynamics simulations
Mewael Isiet, Musanna Galib, Yunhuan Xiao +3
Ceramic materials are widely used in high-strain-rate applications due to their exceptional strength-to-weight ratio. However, under these extreme conditions, spall failure becomes…
Dendrite Suppression in Zn Batteries Through Hetero-Epitaxial Residual Stresses Shield
Musanna Galib, Amardeep Amardeep, Jian Liu +1
Dendrite formation is a long-standing problem for the commercial application of aqueous zinc (Zn)-ion batteries (AZIB). Here, we investigate the effect of hetero-epitaxial residual…
Photo-induced spall failure of (111) twist grain boundaries in Ni bicrystals
Mewael Isiet, Mauricio Ponga
Spall failure, a complex failure mechanism driven by tensile stress wave interactions, has been extensively studied in single-crystal FCC metals, revealing a precursor stage involv…
AtomProNet: Data flow to and from machine learning interatomic potentials in materials science
Musanna Galib, Mewael Isiet, Mauricio Ponga
As the atomistic simulations of materials science move from traditional potentials to machine learning interatomic potential (MLIP), the field is entering the second phase focused…
Femtosecond two-pulse laser approach for spall failure in thin foils
Mewael Isiet, Yunhuan Xiao, Jerry I. Dadap +2
Spall failure in materials occurs when tensile waves, propagating through a material, interact leading to failure once the generated hydrostatic stress exceeds the material's stren…
GAP-DFT: A graph-based alchemical perturbation density functional theory for catalytic high-entropy alloys
Mohamed Hendy, Okan K. Orhan, Homin Shin +2
High-entropy alloys (HEAs) exhibit exceptional catalytic performance due to their complex surface structures. However, the vast number of active binding sites in HEAs, as opposed t…
Residual Stress Development in Lattice Mismatched Epitaxial Thin Films via Atomic and Molecular Layer Depositions
Musanna Galib, Okan K. Orhan, Jian Liu +1
Atomic and molecular layer deposition (ALD/MLD) coatings are promising solutions for preventing dendrite formation in aqueous and non-aqueous Li/Na/Zn metal batteries. Notably, alu…
Engineering ultra-strong Mg-Li-Al-based light-weight alloys from first principles
Okan K. Orhan, Mauricio Ponga
Light-weight alloys are essential pillars of transportation technologies. They also play a crucial role to achieve a more green and cost-effective aerospace technologies. Magnesium…
Short-ranged ordering for improved mean-field simulation of disordered media: insights from refractory-metal high-entropy alloy carbonitrides
Okan K. Orhan, Mewael Isiet, Mauricio Ponga +1
Multi-principal element materials (MPEMs) have been attracting a rapidly growing interest due to their exceptional performance under extreme conditions, from cryogenic conditions t…
A multiscale and multiphysics framework to simulate radiation damage in nano-crystalline materials
Mohamed Hendy, Mauricio Ponga
This work presents a multiscale and multiphysics framework to investigate the radiation-induced damage in nano-crystalline materials. The framework combines two methodologies, incl…
Engineering Chemo-Mechanical Properties of Zn Surfaces via Alucone Coating
Musanna Galib, Okan K. Orhan, Mauricio Ponga
Aqueous zinc (Zn)-ion batteries (AZIB) are promising candidates for the next-generation energy store systems due to their high capacity and low cost. Despite their nominal performa…
Effects of the local chemical environment on vacancy diffusion in multi-principal element alloys
Mauricio Ponga, Mohamed Hendy, Okan K. Orhan +1
Multi-principal element alloys (MPEAs) are exciting systems showing remarkable properties compared to conventional materials due to their exceedingly large compositional space and…
Electronic effects on the radiation damage in high-entropy alloys
Okan K. Orhan, Mohamed Hendy, Mauricio Ponga
High-entropy alloys (HEAs) are exceptional candidates for radiation-resistant materials due to their complex local chemical environment and slow defect migration. Despite commonly…
Surface-plasmon properties of noble metals with exotic phases
Okan K. Orhan, Mauricio Ponga
Noble-metal nanoparticles have been the industry standard for plasmonic applications due to their highly populated plasmon generations. Despite their remarkable plasmonic performan…
Origins of size effects in initially dislocation-free single-crystal metallic micro- and nanocubes
Claire Griesbach, Seog-Jin Jeon, David Funes Rojas +6
We report phenomenal yield strengths, up to one fourth of the theoretical strength of silver, recorded in microcompression testing of initially dislocation free silver micro and na…
A unified framework for heat and mass transport at the atomic scale
M. Ponga, D. Sun
We present a unified framework to simulate heat and mass transport in systems of particles. The proposed framework is based on kinematic mean field theory and uses a phenomenologic…