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Search Publications

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Displaying 151 - 175 of 4244

Human-in-the-loop for Bayesian autonomous materials phase mapping

February 7, 2024
Author(s)
Felix Adams, Austin McDannald, Ichrio Takeuchi, A. Gilad Kusne
Autonomous experimentation achieves user objectives more efficiently than Edisonian studies by combining machine learning and laboratory automation to iteratively select and perform experiments. Integrating knowledge from theory, simulations, literature

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

February 5, 2024
Author(s)
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
Author(s)
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

Tuning the Magnetic Anisotropy in artificially layered Mn3GaN/Mn3Ga Superlattices

January 31, 2024
Author(s)
Lu Guo, Neil Campbell, Alexander Grutter, Gahee Noh, Tianxiang Nan, P. Quarterman, Si-Young Choi, Thomas Tybell, Mark Rzchowski, Chang-Beom Eom
Artificially layered superlattices with two distinct spin structures offer new opportunities for manipulation of magnetic properties and interfacial spin configurations. We have grown epitaxial, coherent superlattices of ferrimagnetic Mn3Ga and

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

January 22, 2024
Author(s)
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
Author(s)
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
Author(s)
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
Author(s)
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

Conductive Surface States and Kondo Exhaustion in Insulating YbIr3Si7

January 7, 2024
Author(s)
Macy Stavinoha, C.-L. Huang, W. Phelan, Alannah Hallas, V. Loganathan, M. Michiardi, J. Falke, Sergey Zhdanovich, D. Takegami, C.-E. Liu, K. Tsuei, C. Chen, Long Qian, Nicholas Ng, Jeffrey Lynn, Qingzhen Huang, Franziska Weickert, Vivien Zapf, Katharine Larsen, Patricia Sparks, James Eckert, Anand Puthirath, Hsiang-Hsi Kung, Tor Pedersen, Sergey Gorovikov, A. Damascelli, L. Tjeng, C. Hooley, Andriy Nevidomskyy, E. Morosan
The interplay of Kondo screening and magnetic ordering in strongly correlated materials containing local moments is a subtle problem. Usually the number of conduction electrons per unit cell matches or exceeds the number of moments, and a Kondo-screened

SHINERS Study of Chloride Order-Disorder Phase Transition and Solvation of Cu(100)

January 3, 2024
Author(s)
Thomas P. Moffat, David Raciti, Angela R. Hight Walker, Eric J. Cockayne, John Vinson, Kathleen Schwarz
Shell-isolated Nanoparticle Enhance Raman Spectroscopy (SHINERS) and Density Functional Theory (DFT) are used to probe Cl- adsorption and the order-disorder phase transition associated with the c(2×2) Cl- adlayer on Cu(100) in acid media. A two-component 

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

December 30, 2023
Author(s)
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)

Soft Matter Roadmap

December 12, 2023
Author(s)
Jean-Louis Barrat, Emanuela Del Gado, Stefan Egelhaaf, Xiaoming Mao, Marjolein Dijkstra, David Pine, Sanat Kumar, Kyle Bishop, Oleg Gang, Allie Obermeyer, Christine Papadakis, Constantinos Tsitsilianis, Ivan Smalyukh, Aurelie Hourlier-Fargette, Sebastien Andrieux, Wiebke Drenckhan, Norman J. Wagner, Ryan Murphy, Eric Weeks, Yilong Han, Luca Cipelletti, Laurence Ramos, Wilson Poon, James Richards, Itai Cohen, Eric Furst, Alshakim Nelson, Stephen Craig, Rajesh Ganapathy, Ajay Sood, Francesco Sciortino, Muhittin Mungan, Srikanth Sastry, Colin Scheibner, Michel Fruchart, Vincenzo Vitelli, S. Ridout, M. Stern, I. Tah, G. Zhang, Andrea Liu, Chinedum Osuji, Yuan Xu, Heather Shewan, Jason Stokes, Matthias Merkel, Pierre Ronceray, Jean-Francois Rupprecht, Olga Matsarskaia, Frank Schreiber, Felix Rossen-Runge, Marie-Eve Aubin-Tam, G. Koenderink, Rosa Espinosa-Marzal, Joaquin Yus, Jiheon Kwon
Soft materials are usually defined as materials made of mesoscopic entities, often self-organised, sensitive to thermal fluctuations and to weak perturbations. Archetypal examples are colloids, polymers, amphiphiles, liquid crystals, foams. The importance

Understanding and Leveraging Short Range Order in Compositionally Complex Alloys

November 20, 2023
Author(s)
Mitra Taheri, Elaf Anber, Annie Barnett, Nick Birbilis, Brian DeCost, Daniel Foley, Emily Holcombe, Jonathan Hollenbach, Howie Joress, Yevgeny Rakita, James Rondinelli, Nathan Smith, Michael Waters, Chris Wolverton
In this article, we review the opportunities and challenges associated with complex concentrated materials that exhibit short-range order. Although the presence of such phenomena has been theorized, accurate computational representation, characterization

New NIST Acquisition System for Reading Charpy Machine Encoders

November 13, 2023
Author(s)
Enrico Lucon, John S. Quintavalle, Damian Lauria
A new acquisition system was developed at NIST for reading angle values from the digital encoders of the three Charpy reference machines in Boulder, Colorado. The associated LabView software provides the conversion from encoder angles to absorbed energies

Exploiting redundancy in large materials datasets for efficient machine learning with less data

November 10, 2023
Author(s)
Kamal Choudhary, Brian DeCost, Kangming Li, Daniel "Persaud ", Jason Hattrick-Simpers, Michael Greenwood
Extensive efforts to gather materials data have largely overlooked potential data redundancy. In this study, we present evidence of a significant degree of redundancy across multiple large datasets for various material properties, by revealing that up to

Lattice vibrations and the energy landscape of the isoelectronic semiconductor series CuBr, ZnSe, GaAs, and Ge: The special case of CuBr and its d-level chemistry

November 9, 2023
Author(s)
Joseph Woicik, Eric J. Cockayne, Eric L. Shirley, Igor Levin, Conan Weiland, Bruce D. Ravel, A. M. Milinda Abeykoon
We have examined the lattice vibrations and the energy landscape of the isoelectronic diamond and zincblende semiconductor series CuBr, ZnSe, GaAs, and Ge. Vibrations are found to be an increasing function of ionicity, with the cation sublattice always
Displaying 151 - 175 of 4244