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Displaying 26 - 50 of 2121

Accelerating Defect Predictions in Semiconductors Using Graph Neural Networks

March 27, 2024
Md. Habibur Rahman, Prince Gollapalli, Panayotis Manganaris, Satyesh Kumar Yadav, Ghanshyam Pilania, Arun Kumar Mannodi-Kanakkithodi, Brian DeCost, Kamal Choudhary
First principles computations reliably predict the energetics of point defects in semiconductors, but are constrained by the expense of using large supercells and advanced levels of theory. Machine learning models trained on computational data, especially

Assessing Composite Structure in Metal-Organic Framework-Polymer Mixed-Matrix Membranes

March 15, 2024
Avery Baumann, Peter Beaucage, Richard Vallery, David Gidley, Ryan Nieuwendaal, Chad R. Snyder, Jan Ilavsky, Fu Chen, Christopher Stafford, Christopher Soles
Metal-organic frameworks (MOFs) are renowned for their tunable structure, porosity, and internal chemistry with demonstrated applications in molecular separations, storage, and conversion. While they are widely usable, the powdery characteristics of MOF

Correlating Near-Infrared Spectra to Bulk Properties in Polyolefins

February 28, 2024
Bradley Sutliff, Shailja Goyal, Tyler Martin, Peter Beaucage, Debra Audus, Sara Orski
The industry standard for sorting plastic wastes is near-infrared (NIR) spectroscopy, which offers rapid and nondestructive identification of various plastics. However, NIR does not provide insights into the chain composition, conformation, and topology of

The development of an augmented machine learning approach for the additive manufacturing of thermoelectric materials

February 28, 2024
Connor V. Headley, Roberto J. Herrera del Valle, Ji Ma, Prasanna Balachandran, Vijayabarathi Ponnambalam, Saniya LeBlanc, Dylan Kirsch, Joshua B. Martin
Through the integration of machine learning (ML) techniques alongside additive manufacturing (AM) experimentation, we demonstrate an iterative process to rapidly predict laser-material interactions and melt pool geometries throughout the build parameter

Temperature Dependence of Kinetic Friction: A Handle for Plastics Sorting?

February 26, 2024
Chad R. Snyder, Kalman Migler
Sortation is a crucial step in mechanical recycling of post-consumer plastics (PCR) whereby properties such as density or spectral signature are used to separate plastics. However it is difficult to sort polyolefin flakes at high throughput by these

A Common Data Dictionary and Common Data Model for Additive Manufacturing

February 16, 2024
Alexander Kuan, Kareem Aggour, Shengyen Li, Yan Lu, Luke Mohr, Alex Kitt, Hunter Macdonald
Additive manufacturing (AM) leverages emerging technologies and well-adopted processes to produce near-net-shape products. The advancement of AM technology requires data management tools to collect, store and share information through the product

Advancing Measurement Science for Microelectronics: CHIPS R&D Metrology Program

February 13, 2024
Marla L. Dowell, Hannah Brown, Gretchen Greene, Paul D. Hale, Brian Hoskins, Sarah Hughes, Bob R. Keller, R Joseph Kline, June W. Lau, Jeff Shainline
The CHIPS and Science Act of 2022 called for NIST to "carry out a microelectronics research program to enable advances and breakthroughs....that will accelerate the underlying R&D for metrology of next-generation microelectronics and ensure the

Phase Composition and Phase Transformation of Additively Manufactured Nickel Alloy 718 AM Bench Artifacts

February 5, 2024
Fan Zhang, Aaron Johnston-Peck, Lyle E. Levine, Michael Katz, Kil-Won Moon, Maureen E. Williams, Sandra W. Young, Andrew J. Allen, Olaf Borkiewicz, Jan Ilavsky
Additive Manufacturing (AM) technologies offer unprecedented design flexibility but are limited by a lack of understanding of the material microstructure formed under their extreme and transient processing conditions and its subsequent transformation

Emission Ghost Imaging: reconstruction with data augmentation

February 1, 2024
Kevin J. Coakley, Heather H. Chen-Mayer, Bruce D. Ravel, Daniel Josell, Nikolai Klimov, Sarah Robinson, Daniel S. Hussey
Ghost Imaging enables 2D reconstruction of an object even though particles transmitted or emitted by the object of interest are detected with a single pixel detector without spatial resolution. This is possible because the incident beam is spatially

Connecting Molecular Exchange Dynamics to Stress Relaxation in Phase-Separated Dynamic Covalent Networks

January 22, 2024
Neil Dolinski, Ran Tao, Nicholas Boynton, Anthony Kotula, Charlie Lindberg, Kyle Petersen, Aaron M. Forster, Stuart Rowan
A suite of phase separated dynamic covalent networks based on highly tunable dynamic benzalcyanoacetate (BCA) thia-Michael acceptors are investigated. In situ kinetic studies on small molecule model systems are used in conjunction with macroscopic

Reference Correlations for the Density and Thermal Conductivity, and Review of the Viscosity Measurements, of Liquid Titanium, Zirconium, Hafnium, Vanadium, Niobium, Tantalum, Chromium, Molybdenum, and Tungsten

January 22, 2024
Eleftheria Ntonti, Sofia Sotiriadou, Marc Assael, Marcia L. Huber, Boris Wilthan, Manabu Watanabe
The available experimental data for the density, thermal conductivity, and viscosity of liquid titanium, zirconium, hafnium, vanadium, niobium, tantalum, chromium, molybdenum, and tungsten have been critically examined with the intention of establishing

Toward a Standard Data Architecture for Additive Manufacturing

January 16, 2024
Shengyen Li, Shaw C. Feng, Alexander Kuan, Yan Lu
To advance the additive manufacturing (AM) technologies, R&D projects may evaluate new facilities and different processes that need a scalable data architecture to accommodate the progressing knowledge. This work introduces a data pedigree to enable the

Morphology of Thin-Film Nafion on Carbon as an Analogue of Fuel Cell Catalyst Layers

January 11, 2024
Corey Randall, Lianfeng Zou, Howard Wang, Jingshu Hui, Joaquin Rodriguez-Lopez, Melodie Chen-Glasser, Joseph A. Dura, Steven DeCaluwe
Species transport in thin-film Nafion heavily influences proton exchange membrane (PEMFC) performance, particularly in low-platinum-loaded cells. Literature suggests phase-segregated nano-structures in hydrated Nafion thin films can reduce species mobility

Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (s) Phase in the Co-Cr-Ni-Re System

December 30, 2023
Julio Cesar Pereira Dos Santos, Sean Griesemer, Nathalie Dupin, Ursula R. Kattner, Chuan Liu, Daniela Ivanova, Thomas Hammerschmidt, Suzana Fries, Chris Wolverton, Carelyn E. Campbell
Proper descriptions of Topologically Closed-Packed (TCP) phases in thermodynamic databases are essential to adequately design new alloys. Thus, the recently introduced Effective Bond Energy Formalism (EBEF) is used in this work to describe the sigma (σ)
Displaying 26 - 50 of 2121