143 citations · 628 across the 21 of their papers we have counts for
21 papers
A Framework for Ductility in Metallic Glasses
Sungwoo Sohn, Naijia Liu, Geun Hee Yoo +8
The understanding and quantification of ductility in crystalline metals, which has led to their widespread and effective usage as a structural material, is lacking in metallic glas…
Special Glass Structures for First Principles Studies of Bulk Metallic Glasses
Siya Zhu, Jan Schroers, Stefano Curtarolo +2
The atomic-level structure of bulk metallic glasses is a key determinant of their properties. An accurate representation of amorphous systems in computational studies has tradition…
Characterizing the mechanical response of metallic glasses to uniaxial tension using a spring network model
Aya Nawano, Jan Schroers, Mark D. Shattuck +1
Metallic glasses are frequently used as structural materials. Therefore, it is important to develop methods to predict their mechanical response as a function of the microstructure…
Bridging necking and shear-banding mediated tensile failure in glasses
David Richard, Ethen Lund, Jan Schroers +1
The transition between necking-mediated tensile failure of glasses, at elevated temperatures and/or low strain-rates, and shear-banding-mediated tensile failure, at low temperature…
aflow++: a C++ framework for autonomous materials design
C. Oses, M. Esters, D. Hicks +17
The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades,…
The glass-forming ability of binary Lennard-Jones systems
Yuan-Chao Hu, Weiwei Jin, Jan Schroers +2
The glass-forming ability (GFA) of alloys, colloidal dispersions, and other particulate materials, as measured by the critical cooling rate , can span more than ten orders of…
Glass formation in binary alloys with different atomic symmetries
Yuan-Chao Hu, Kai Zhang, Sebastian A. Kube +3
Prediction of the glass forming ability (GFA) of alloys remains a major challenge. We are not able to predict the composition dependence of the GFA of even binary alloys. To invest…
Intrinsic dissipation mechanisms in metallic glass resonators
Meng Fan, Aya Nawano, Jan Schroers +2
Micro- and nano-resonators have important applications including sensing, navigation, and biochemical detection. Their performance is quantified using the quality factor , which…
Tuning the glass-forming ability of metallic glasses through energetic frustration
Yuan-Chao Hu, Jan Schroers, Mark D. Shattuck +1
The design of multi-functional BMGs is limited by the lack of a quantitative understanding of the variables that control the glass-forming ability (GFA) of alloys. Both geometric f…
Spatially Heterogeneous Dynamics in a Metallic Glass Forming Liquid Imaged by Electron Correlation Microscopy
Pei Zhang, Jason J. Maldonis, Ze Liu +2
Supercooled liquids exhibit spatial heterogeneity in the dynamics of their fluctuating atomic arrangements. The length and time scales of the heterogeneous dynamics are central to…
Particle rearrangement and softening contributions to the nonlinear mechanical response of glasses
Meng Fan, Kai Zhang, Jan Schroers +2
Amorphous materials such as metallic, polymeric, and colloidal glasses, exhibit complex preparation-dependent mechanical response to applied shear. We perform numerical simulations…
Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases
Eric Perim, Dongwoo Lee, Yanhui Liu +8
Metallic glasses have attracted considerable interest in recent years due to their unique combination of superb properties and processability. Predicting bulk metallic glass former…
The effects of cooling rate on particle rearrangement statistics: Rapidly cooled glasses are more ductile and less reversible
Meng Fan, Minglei Wang, Kai Zhang +4
Amorphous solids, such as metallic, polymeric, and colloidal glasses, display complex spatiotemporal response to applied deformations. In contrast to crystalline solids, during loa…
Predicting Bulk Metallic Glass Forming Ability with the Thermodynamic Density of Competing Crystalline States
Eric Perim, Dongwoo Lee, Yanhui Liu +8
Despite two decades of studies, the formation of metallic glasses, very promising systems for industrial applications, still remains mostly unexplained. This lack of knowledge hind…
Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses
Kai Zhang, Meng Fan, Yanhui Liu +3
When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate , the crystalline state is bypassed and an amorphous glassy state f…
On the origin of multi-component bulk metallic glasses: Atomic size mismatches and de-mixing
K. Zhang, B. Dice, Y. Liu +3
The critical cooling rate , below which liquids crystallize upon cooling, characterizes the glass-forming ability (GFA) of the system. While pure metals are typicall…
Asymmetric crystallization during cooling and heating in model glass-forming systems
Minglei Wang, Kai Zhang, Zhusong Li +4
We perform molecular dynamics (MD) simulations of the crystallization process in binary Lennard-Jones systems during heating and cooling to investigate atomic-scale crystallization…
The glass-forming ability of model metal-metalloid alloys
Kai Zhang, Yanhui Liu, Jan Schroers +2
Bulk metallic glasses (BMGs) are amorphous alloys with desirable mechanical properties and processing capabilities. To date, the design of new BMGs has largely employed empirical r…
Shear accelerated crystallization in a supercooled atomic liquid
Zhen Shao, Jonathan P. Singer, Yanhui Liu +6
A bulk metallic glass forming alloy is subjected to shear flow in its supercooled state by compression of a short rod to produce a flat disc. The resulting material exhibits enhanc…
Can the packing efficiency of binary hard spheres explain the glass-forming ability of bulk metallic glasses?
Kai Zhang, W. Wendell Smith, Minglei Wang +4
We perform molecular dynamics simulations to compress binary hard spheres into jammed packings as a function of the compression rate , size ratio , and number fraction …
Computational studies of the glass-forming ability of model bulk metallic glasses
Kai Zhang, Minglei Wang, Stefanos Papanikolaou +4
Bulk metallic glasses (BMGs) are produced by rapidly thermally quenching supercooled liquid metal alloys below the glass transition temperature at rates much faster than the critic…