194 citations · 446 across the 14 of their papers we have counts for
13 papers · 1 filter
Ab initio Monte Carlo prediction of order-to-disorder transitions in multicomponent MXenes
Noah Oyeniran, Chongze Hu
This letter predicts unprecedented order-to-disorder transition behaviors in multicomponent MXenes using an integrated and improved first-principles Monte Carlo (MC) framework. The…
A Panoramic View of MXenes via a New Design Strategy
Noah Oyeniran, Oyshee Chowdhury, Chongze Hu +11
Two-dimensional (2D) transition metal carbides and nitrides, known as MXenes, possess unique physical and chemical properties, enabling diverse applications in fields ranging from…
Creating Continuously Graded Microstructures with Electric Fields via Locally Altering Grain Boundary Complexions
Qizhang Yan, Chongze Hu, Jian Luo
Tailoring microstructures represents a daunting goal in materials science. Here, an innovative proposition is to utilize grain boundary (GB) complexions (a.k.a. interfacial phases)…
A New Type of Compositionally Complex M5Si3 Silicides: Cation Ordering and Unexpected Phase Stability
Sashank Shivakumar, Mingde Qin, Dawei Zhang +3
A new type of compositionally complex (medium- or high-entropy) M5Si3 silicides is synthesized. Both (V1/5Cr1/5Nb1/5Ta1/5W1/5)5Si3 and (Ti1/5Zr1/5Nb1/5Mo1/5Hf1/5)5Si3 form single-p…
Computing Grain Boundary Diagrams of Thermodynamic and Mechanical Properties
Chongze Hu, Yanwen Li, Zhiyang Yu +1
Computing the grain boundary (GB) counterparts to bulk phase diagrams represents an emerging research direction. Using a classical embrittlement model system Ga-doped Al alloy, thi…
Grain Boundary Segregation Transitions and Critical Phenomena in Binary Regular Solutions: A Systematics of Complexion Diagrams with Universal Characters
Naixie Zhou, Chongze Hu, Jian Luo
A systematics of grain boundary (GB) segregation transitions and critical phenomena has been derived to expand the classical GB segregation theory. Using twist GBs as an example, t…
Single-Phase Duodenary High-Entropy Fluorite/Pyrochlore Oxides with an Order-Disorder Transition
Andrew J. Wright, Qingyang Wang, Chongze Hu +3
Improved thermomechanical properties have been reported for various high-entropy oxides containing typically five metal cations. This study further investigates a series of duodena…
Discovery of Electrochemically Induced Grain Boundary Transitions
Jiuyuan Nie, Chongze Hu, Qizhang Yan +1
Electric fields and currents, which are used in innovative materials processing and electrochemical energy conversion, can often alter microstructures in unexpected ways. However,…
Decoding Grain Boundary Thermodynamics in High-Entropy Alloys in a 5D Space: Coupled Segregation and Disordering
Chongze Hu, Jian Luo
Grain boundaries (GBs) can critically influence the microstructural evolution and various materials properties. However, a fundamental understanding of GBs in high-entropy alloys (…
High-Entropy Monoborides: Towards Superhard Materials
Mingde Qin, Qizhang Yan, Haoren Wang +2
Single-phase high-entropy monoborides (HEMBs) of the CrB prototype structure have been synthesized for the first time. Reactive spark plasma sintering of ball milled mixtures of el…
Genetic Algorithm-Guided Deep Learning of Grain Boundary Diagrams: Addressing the Challenge of Five Degrees of Freedom
Chongze Hu, Yunxing Zuo, Chi Chen +2
Grain boundaries (GBs) often control the processing and properties of polycrystalline materials. Here, a potentially transformative research is represented by constructing GB prope…
Dual-Phase High-Entropy Ultra-High Temperature Ceramics
Mingde Qin, Joshua Gild, Chongze Hu +7
A series of dual-phase high-entropy ultrahigh temperature ceramics (DPHE-UHTCs) are fabricated starting from N binary borides and (5-N) binary carbides powders. >~99% relative dens…
Quantum-Accurate Spectral Neighbor Analysis Potential Models for Ni-Mo Binary Alloys and FCC Metals
Xiang-Guo Li, Chongze Hu, Chi Chen +3
In recent years, efficient inter-atomic potentials approaching the accuracy of density functional theory (DFT) calculations have been developed using rigorous atomic descriptors sa…