Spring 2021

 

2021 Crosscutting Research and Advanced Energy Systems Project Review Meeting

NATIONAL ENERGY TECHNOLOGY LABORATORY

• R. Sakidja, C. Zhou and W-Y Ching, Multi-modal Approach to Modeling Creep Deformation in Ni-Base Superalloys (FE0031554), Computational Materials Design Session, June 8th 2021.

• Alin Niraula, Bikash Timalsina, Gregory Hilmas, William Fahrenholtz, Ridwan Sakidja"Transport properties of binary and entropy-stabilized diborides" , UHTCs: Simulation and Theory, Wed., Feb. 10th, 2021

• Bikash Timalsina, Alin Niraula, Andrew Duff, Gregory Hilmas, William Fahrenholtz, Ridwan Sakidja, EAM and RF-MEAM potentials for thermal properties of zirconium diboride, UHTCs: Simulation and Theory, Wed., Feb. 10th, 2021

 

• K Asante Boehen, N. Baishnab and R. Sakidja, "Modeling the Argon bombardment and densification of Low-Temperature Organic Precursors using Reactive Molecular Dynamics Simulations and Machine Learning", March 19th, 2021.

• D Magness, E Justus, B Timalsina, J Wu, R Sakidja, "Applications of Kinetic Monte Carlo Simulations and Machine Learning to model Atomic Layer Deposition (ALD) of Metal Oxides", March 19th, 2021.

• A Niraula, B Timalsina, G Hilmas, W Fahrenholtz, R Sakidja, "Theoretical calculations on transport properties of high-temperature binary and entropy-stabilized diborides",  March 18th, 2021.

• Tyler McGilvry-James, Andrew Duff, Bikash Timalsina, Alin Niraula, Muztoba Rabbani, Nirmal Baishnab, Puja Adhikari, Saro San, Wai-Yim Ching, Ridwan Sakidja, "Development of Reference-free (RF) MEAM Interatomic Potentials for Transition Metal-rich Carbides" March 18th, 2021.

• Devon Romine, Ridwan Sakidja, Judy Wu, Yuxuan Lu, "Modeling Atomic Layer Deposition of Alumina as an Ultra-thin Tunnel Barrier using Reactive Molecular Dynamics", March 17th, 2021.

• Bikash Timalsina, Alin Niraula, Andrew Duff, Gregory Hilmas, William Fahrenholtz, Ridwan Sakidja, "Development of RF-MEAM interatomic potentials for high temperature diborides", March 16th, 2021.

 

• Tyler J. McGilvry-James,, Bikash Timalsina, Nirmal Baishnab, Puja Adhikari, Saro San, Andrew Duff, Wai-Yim Ching, Ridwan Sakidja, "Reference-free Potential Development for Metal-rich Carbides", Virtual poster session, March 17th, 2021.

• Bikash Timalsina, Alin Niraula, William Fahrenholtz, Gregory Hilmas, Andrew Duff, Ridwan Sakidja, "EAM and RF-MEAM Potentials for Thermal Properties of Zirconium Diboride", High Entropy Alloys IX: Structures and Modeling Symposium, March 15th, 2021.

• Ridwan Sakidja,Andrew Duff, Wai-Yim Ching, Caizhi Zhou, "Development of Interatomic Potentials to Model the Deformation Behaviors in Highly Concentrated/Entropy-stabilized Ni-base Superalloys", High Entropy Alloys IX: Structures and Modeling Symposium, March 15th, 2021.

• Alin Niraula,Bikash Timalsina, Gregory Hilmas, William Fahrenholtz, Ridwan Sakidja, "Transport Properties of Binary and Entropy-stabilized Diborides", High Entropy Alloys IX: Structures and Modeling Symposium, March 17th, 2021.

• Kwabena Asante-Boehen, Nirmal Baishnab, Paul Rulis, Michelle Paquette, Ridwan Sakidja "Use of atomistic based informatics to model ionic bombardment to synthesize boron carbides", Nirmal Baishnab, Paul Rulis, Michelle Paquette, Ridwan Sakidja "Symposium: AI/Data Informatics: Applications and Uncertainty Quantification at Atomistics and Mesoscales, March 17th, 2021.