Explanipedia

Molecular dynamics study of grain boundaries as defect sinks under irradiation in LiAlO2 and LiAl5O8 Open

Ankit Roy, Weilin Jiang, Giridhar Nandipati, Andrew M. Casella, David J. Senor , et al. · 2025

Lithium aluminate ceramics, LiAlO 2 and LiAl 5 O 8 , show promise in nuclear environments due to their excellent radiation tolerance. Molecular dynamics simulations investigate grain boundaries (GB) and their role in defect evolution. Resu…

Thermal conductivity of irradiated tetragonal lithium aluminate Open

V. Ortiz, Weilin Jiang, Andrew M. Casella, David J. Senor, Ram Devanathan , et al. · 2025

The effect of 120 keV He⁺+D⁺-ion irradiation on the thermal conductivity of ceramic tetragonal γ-LiAlO₂ is studied with time-domain thermoreflectance (TDTR) at temperatures between 300 and 700 K. The therma…

A review of displacement cascade simulations using molecular dynamics emphasizing interatomic potentials for TPBAR components Open

Ankit Roy, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Ram Devanathan , et al. · 2025

This review explores molecular dynamics simulations for studying radiation damage in Tritium Producing Burnable Absorber Rod (TPBAR) materials, emphasizing the role of interatomic potentials in displacement cascades. Recent machine learnin…

Dynamic data-driven multiscale modeling for predicting the degradation of a 316L stainless steel nuclear cladding material Open

William E. Frazier, Yucheng Fu, Lei Li, Ram Devanathan · 2024

Probabilistic Surrogate Model for Accelerating the Design of Electric Vehicle Battery Enclosures for Crash Performance Open

Shadab Anwar Shaikh, Harish P. Cherukuri, Kranthi Balusu, Ram Devanathan, Ayoub Soulami · 2024

This paper presents a probabilistic surrogate model for the accelerated design of electric vehicle battery enclosures with a focus on crash performance. The study integrates high-throughput finite element simulations and Gaussian Process R…

Monte Carlo Simulations of 347H Stainless Steel Aging for the Synthetic Generation of Microstructures Under Creep Conditions Open

William E. Frazier, Arun V. Sathanur, M. F. N. Taufique, Ram Devanathan, Keerti Kappagantula · 2024

Correction to: A conceptual review on performance and environmental impact of current and ensuing coagulants used in treatment facilities Open

Ram Devanathan, R. Shiam Babu, K. Prasanna · 2024

Correction: Finite Element Analysis and Machine Learning Guided Design of Carbon Fiber Organosheet-Based Battery Enclosures for Crashworthiness Open

Shadab Anwar Shaikh, M. F. N. Taufique, Kranthi Balusu, Shank S. Kulkarni, Forrest Hale , et al. · 2024

Finite Element Analysis and Machine Learning Guided Design of Carbon Fiber Organosheet-Based Battery Enclosures for Crashworthiness Open

Shadab Anwar Shaikh, M. F. N. Taufique, Kranthi Balusu, Shank S. Kulkarni, Forrest Hale , et al. · 2024

Chemical composition based machine learning model to predict defect formation in additive manufacturing Open

Ankit Roy, Andrew Swope, Ram Devanathan, Isabella J. van Rooyen · 2024

Cluster dynamics simulations of tritium and helium diffusion in lithium ceramics Open

Ankit Roy, Michel Sassi, Krishna Chaitanya Pitike, Mark S. Lanza, Andrew M. Casella , et al. · 2024

2.2 Atomistic (DFT and MD) Subtask Team Open

Joel D. Kress, Ram Devanathan, Mikhail I. Mendelev, Brandon C. Wood, Dongwon Shin · 2024

Classical Molecular Dynamics Simulations of Steel Properties Open

Mikhail I. Mendelev, Joel D. Kress, Ram Devanathan · 2024

Molecular dynamics simulations of displacement cascades in LiAlO2 and LiAl5O8 ceramics Open

Ankit Roy, Andrew M. Casella, David J. Senor, Weilin Jiang, Ram Devanathan · 2024

Automated Grain Boundary (GB) Segmentation and Microstructural Analysis in 347H Stainless Steel Using Deep Learning and Multimodal Microscopy Open

Shoieb Ahmed Chowdhury, M. F. N. Taufique, Jing Wang, Marissa Masden, Madison Wenzlick , et al. · 2024

Thermal Conductivity of Irradiated Tetragonal Lithium Aluminate Open

V. Ortiz, Weilin Jiang, Andrew M. Casella, David J. Senor, Ram Devanathan , et al. · 2024

Unsupervised Techniques for Outlier Identification in Alloy Datasets Open

Madison Wenzlick, Osman Mamun, M. F. N. Taufique, Ram Devanathan, Keerti Kappagantula , et al. · 2023

Creation of the XMAT Database & Leveraging Data Analytics Open

Madison Wenzlick, Jeffrey A. Hawk, Osman Mamun, Ram Devanathan, Keerti Kappagantula , et al. · 2023

A sensitivity analysis of twinning crystal plasticity finite element model using single crystal and poly crystal Zircaloy Open

Shank S. Kulkarni, Aditya Venkatraman, David J. Senor, Ram Devanathan · 2023

Insights into radiation resistance of titanium alloys from displacement cascade simulations Open

Ankit Roy, David J. Senor, Danny J. Edwards, Andrew M. Casella, Ram Devanathan · 2023

Finite Element Analysis and Machine Learning Guided Design of Carbon Fiber Organosheet-based Battery Enclosures for Crashworthiness Open

Shadab Anwar Shaikh, M. F. N. Taufique, Kranthi, Balusu, Shank S. Kulkarni , et al. · 2023

Carbon fiber composite can be a potential candidate for replacing metal-based battery enclosures of current electric vehicles (E.V.s) owing to its better strength-to-weight ratio and corrosion resistance. However, the strength of carbon fi…

Molecular Dynamics Simulation of Hygroscopic Aging Effects in Epoxy Polymer Open

M. F. N. Taufique, M. Losada, Sébastien Hamel, Nir Goldman, Matthew J. DiTucci , et al. · 2023

Rapid discovery of high hardness multi-principal-element alloys using a generative adversarial network model Open

Ankit Roy, Aqmar Hussain, Prince Sharma, Ganesh Balasubramanian, M. F. N. Taufique , et al. · 2023

Molecular dynamics simulations of displacement cascades in LiAlO 2 and LiAl 5 O 8 ceramics Open

Ankit Roy, Andrew M. Casella, David J. Senor, Weilin Jiang, Ram Devanathan · 2023

Molecular dynamics was employed to investigate the radiation damage due to collision cascades in LiAlO 2 and LiAl 5 O 8 , the latter being a secondary phase formed in the former during irradiation. Atomic displacement cascades were simulat…

Molecular dynamics study of primary damage in the near-surface region in nickel Open

Michele L. Fullarton, Giridhar Nandipati, David J. Senor, Andrew M. Casella, Ram Devanathan · 2023

Advanced Material Studies for High Intensity Proton Production Targets and Windows Open

Sujit Bidhar, Shunsuke Makimura, Andrew M. Casella, David J. Senor, Dohyun Kim , et al. · 2023

The titanium alloy Ti6Al4V is widely used in accelerator facilities as beam windows, which are exposed to high cycle compressive stress waves from intense pulsed proton beams. Such materials interacting with the beam are subject to various…

Automated Grain Boundary (GB) Segmentation and Microstructural Analysis in 347H Stainless Steel Using Deep Learning and Multimodal Microscopy Open

Shoieb Ahmed Chowdhury, M. F. N. Taufique, Jing Wang, Marissa Masden, Madison Wenzlick , et al. · 2023

Austenitic 347H stainless steel offers superior mechanical properties and corrosion resistance required for extreme operating conditions such as high temperature. The change in microstructure due to composition and process variations is ex…

Machine learning predictive modeling of creep rupture time in high temperature alloys Open

Madison Wenzlick, M. F. N. Taufique, Osman Mamun, Ram Devanathan, Kelly Rose , et al. · 2023

10th International Conference on Multiscale Materials Modeling, Baltimore, MD, September 30-October 5, 2022

Data Archive and Portal (DAP) Platform for Solid Phase Processing Technologies Open

M. F. N. Taufique, Matt Macduff, Shuhao Bai, Devin McAllester, Osman Mamun , et al. · 2023

The scale and speed of data generated by modern scientific experiments have constantly challenged the research community to store, curate, manage and optimally use it to drive scientific discoveries. In this work, we have developed a data …

Molecular dynamics simulations of radiation response of LiAlO2 and LiAl5O8 Open

Ankit Roy, David J. Senor, Andrew M. Casella, Ram Devanathan · 2023

Ram Devanathan YOU? Author Swipe