88 citations · 305 across the 22 of their papers we have counts for
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Circumventing cracking in grading 316L stainless steel to Monel400 through compositional modifications
Zhening Yang, Alexander Richter, Hui Sun +2
In joining Fe-alloys and Cu-containing alloys to access the high strength of steels and corrosion resistance of Cu-alloy, cracking is widely observed due to the significant Cu micr…
Investigation of ideal shear strength of dilute binary and ternary Ni-based alloys using first-principles calculations, CALPHAD modeling and correlation analysis
Shuang Lin, Shun-Li Shang, John D. Shimanek +3
In the present work, the ideal shear strength (τ_is) of dilute Ni34XZ ternary alloys (X or Z = Al, Co, Cr, Fe, Mn, Mo, Nb, Si, Ti) are predicted by first-principles calculations ba…
MaterialsMap: A CALPHAD-Based Tool to Design Composition Pathways through feasibility map for Desired Dissimilar Materials, demonstrated with RSW Joining of Ag-Al-Cu
Hui Sun, Bo Pan, Zhening Yang +6
Assembly of dissimilar metals can be achieved by different methods, for example, casting, welding, and additive manufacturing (AM). However, undesired phases formed in liquid-phase…
nimCSO: A Nim package for Compositional Space Optimization
Adam M. Krajewski, Arindam Debnath, Wesley F. Reinhart +2
nimCSO is a high-performance tool implementing several methods for selecting components (data dimensions) in compositional datasets, which optimize the data availability and densit…
Temperature-dependent thermodynamic properties of CrNbO4 and CrTaO4 by first-principles calculations
Shuang Lin, Shun-Li Shang, Allison M. Beese +1
In the present work, the density functional theory (DFT) in the generalized-gradient approximation developed by Perdew, Burke, and Ernzerhof (PBE) +U method, i.e., PBE+U, was emplo…
Effects of Misorientation on Single Crystal Plasticity by Finite Element Methods
John D. Shimanek, Zi-Kui Liu, Allison M. Beese
The crystal plasticity finite element method (CPFEM) is a widely used technique for resolving macroscopic stress and strain onto the physically relevant length scales of grains and…
An image-based transfer learning approach for using in situ processing data to predict laser powder bed fusion additively manufactured Ti-6Al-4V mechanical properties
Qixiang Luo, John D. Shimanek, Timothy W. Simpson +1
The mitigation of material defects from additive manufacturing (AM) processes is critical to reliability in their fabricated parts and is enabled by modeling the complex relations…
Efficient Generation of Grids and Traversal Graphs in Compositional Spaces towards Exploration and Path Planning
Adam M. Krajewski, Allison M. Beese, Wesley F. Reinhart +1
Many disciplines of science and engineering deal with problems related to compositions, ranging from chemical compositions in materials science to portfolio compositions in economi…
Additively manufactured Ni-20Cr to V functionally graded material: computational predictions and experimental verification of phase formations
Beril Tonyali, Hui Sun, Brandon Bocklund +5
A database for the Cr-Ni-V system was constructed by modeling the binary Cr-V and ternary Cr-Ni-V systems using the CALPHAD approach aided by density functional theory (DFT)-based…