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Search Publications

NIST Authors in Bold

Displaying 1 - 25 of 5329

JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods

May 7, 2024
Author(s)
Kamal Choudhary, Daniel Wines, Kevin Garrity, aldo romero, Jaron Krogel, Kayahan Saritas, Panchapakesan Ganesh, Paul Kent, Pascal Friederich, Vishu Gupta, Ankit Agrawal, Pratyush Tiwary, ichiro takeuchi, Robert Wexler, Arun Kumar Mannodi-Kanakkithodi, Avanish Mishra, Kangming Li, Adam Biacchi, Francesca Tavazza, Ben Blaiszik, Jason Hattrick-Simpers, Maureen E. Williams
Reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have

Microstructural effects on the rotating bending fatigue behavior of Ti-6Al-4V produced via laser powder bed fusion with novel heat treatments

April 30, 2024
Author(s)
Nicholas Derimow, Jake Benzing, David Newton, Chad Beamer, Ping Lu, Frank DelRio, Newell Moser, Orion Kafka, Ryan Fishel, Lucas Koepke, Chris Hadley, Nik Hrabe
The rotating bending fatigue (RBF) behavior (fully reversed, R = -1) of additively manufactured (AM) Ti-6Al-4V alloy produced via laser powder bed fusion (PBF-L) was investigated with respect to different microstructures achieved through novel heat

Spatial and Temporal Data Alignment from Disparate Sources for Feature Association

April 25, 2024
Author(s)
Benjamin Standfield, Eric Holterfield, Russell Waddell
Among the chief topic areas of Industry 4.0, digital thread technology offers the opportunity for increased productivity, efficiency, and traceability throughout a product's lifecycle. While the basic concept of digital thread is easy to realize by

Comparison of Mg-based liquid metal ion sources for scalable focused-ion-implantation doping of GaN

April 18, 2024
Author(s)
Aaron Katzenmeyer, Michael Titze, Sam Frisone, Tony Ohlhausen, Anthony Flores, Deanna Campbell, Bingjun Li, Yongqiang Wang, Jung Han, Edward Bielejec, Rachel Goldman
We compare the suitability of various magnesium-based liquid metal alloy ion sources (LMAIS) for scalable focused-ion-beam (FIB) implantation doping of GaN. We consider GaMg, MgSO4•7H2O, MgZn, AlMg, and AuMgSi alloys. Although issues of oxidation (GaMg)

Self-Assembly of Hierarchical High-h Fluorinated Block Copolymers with an Orthogonal Smectic-within-Lamellae 3 nm Sub-Lattice and Vertical Surface Orientation

April 16, 2024
Author(s)
Bijal Patel, Hongbo Feng, Whitney Loo, Chad R. Snyder, Christopher Eom, Julia Murphy, Daniel Sunday, Paul Nealey, Dean DeLongchamp
Hierarchical structure-within-structure assemblies offer a route toward increasingly complex and multifunctional materials while pushing the limits of block copolymer self-assembly. We present a detailed study of the self-assembly of a series of

Evaluating Models That Predict Epoxy Conversion Using Rheological Properties

April 15, 2024
Author(s)
Stian Romberg, Paul Roberts, Chad R. Snyder, Anthony Kotula
Simultaneous rheology and conversion measurements of neat and composite epoxy resins reveal that conventional models neither accurately nor fully describe the relationship between rheology and conversion. We find that models predicting thermoset conversion

Manufacturing USA 2023 Annual Report

April 15, 2024
Author(s)

Zahraha Brunner

Manufacturing USA® is a network of public-private partnerships united to secure U.S. global leadership in advanced manufacturing through large scale collaboration on technology, supply chain, and workforce development. The network includes the U.S

Investigation of melt pool dynamics and solidification microstructures of laser melted Ti-6Al-4V powder using X-ray synchrotron imaging

April 10, 2024
Author(s)
Nicholas Derimow, Madelyn Madrigal-Camacho, Orion Kafka, Jake Benzing, Edward Garboczi, Samuel J. Clark, Suveen Mathaudhu, Nik Hrabe
Titanium alloy (Ti-6Al-4V) is widely used in additive manufacturing (AM) industry. However, as laser powder-bed fusion (PBF-L) additive manufacturing (AM) advances towards reliable production of titanium parts, a thorough understanding of the process

Precision Calcination Mechanism of CaCO 3 to High-Porosity Nanoscale CaO CO 2 Sorbent Revealed by Direct In Situ Observations

April 5, 2024
Author(s)
Jenny Martinez, Jenna Wardini, Xueli Zheng, Lauren Moghimi, Jason Rakowsky, Jonathan Means, Huiming Guo, Ivan Kuzmenko, Jan Ilavsky, Fan Zhang, Pratik Dholabhai, Leora Dresselhaus-Marais, William Bowman
Deploying energy storage and carbon capture at scale is hindered by the substantial endothermic penalty of decomposing CaCO3 to CaO and CO2, and the rapid loss of CO2 absorption capacity by CaO sorbent particles due to sintering at the high requisite

Accelerating Defect Predictions in Semiconductors Using Graph Neural Networks

March 27, 2024
Author(s)
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
Author(s)
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

Working from Home and the Impacts on Residential Buildings

March 1, 2024
Author(s)
William M. Healy, Kristen Cetin, Richard Karg, Chandra Sekhar, Li Song, Jerzy Sowa, Iain Walker, Pawel Wargocki
The COVID-19 pandemic brought about a rapid and dramatic shift in the number of people working from home. For ASHRAE, the shift to more work from home has an impact on its mission. Most notably, key metrics for performance of the built environment

Correlating Near-Infrared Spectra to Bulk Properties in Polyolefins

February 28, 2024
Author(s)
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
Author(s)
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
Displaying 1 - 25 of 5329