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Search Publications

NIST Authors in Bold

Displaying 1 - 25 of 2366

Dynamic Embedding Representation for Graph Neural Networks to Enhance Materials Property Prediction with Limited Datasets

March 24, 2026
Author(s)
Vishu Gupta, Kamal Choudhary, Youjia Li, Muhammed Nur Talha Kili, Daniel Wines, Wei-keng Liao, Alok Choudhary, Ankit Agrawal
Graph neural networks (GNNs) have proven effective in understanding and predicting diverse material properties, even when working with limited datasets. An important step in training GNN is to use an appropriate and informative graph embedding that can

Studies Of Water Films and Carbonation Via Neutron Scattering and Infrared Adsorption: In Situ Studies of Mg(OH)2 and Ca(OH)2

March 24, 2026
Author(s)
Hubert King, Ryan Murphy, Avery Baumann, Robert Dalgliesh, Dirk Honecker, Gregory Smith
Small-angle neutron scattering was used to investigate structural evolution during the carbonation of Ca(OH)₂ and Mg(OH)₂ under humidified CO₂, using both H₂O and D₂O vapor. For Ca(OH)₂, carbonation led to a progressive increase in both nano- and meso

Spin excitation continuum from degenerate states in the mixed ferro-antiferromagnetic exchange system CeMgAl11O19

March 6, 2026
Author(s)
Bin Gao, Tong Chen, Chunxaio Liu, Mason Klemm, Shu Zhang, Zhen Ma, Xianghan Xu, CHOONGJAE WON, Gregory McCandless, Karthik Rao, Naoki Murai, Seiko Ohira-Kawamura, Stephen Moxim, Jason Ryan, Xiaozhou Huang, Xiaoping Wang, Manh Duc Le, Emilia Morosan, Julia Chan, Sang-Wook Cheong, Oleg Tchernyshyov, Leon Balents, Pengcheng Dai
In magnetically ordered insulators, elementary quasiparticles manifest as spin waves - collective motions of localized magnetic moments that propagate through the lattice - observed via inelastic neutron scattering. In effective spin- 1/2 systems where

Surface-State-Driven Anomalous Hall Effect in Altermagnetic MnTe Films

February 10, 2026
Author(s)
Ling-Jie Zhou, Zhi J. Yan, Hongtao Rong, Yufei Zhao, Pu Xiao, Lok K. Lai, Zhiyuan Xi, Ke Wang, Tibendra Adhikari, Ganesh P. Tiwari, Zhong Lin, Pascal Manuel, Fabio Orlandi, Dmitry Khalyavin, Alexander Grutter, Chao-Xing Liu, Binghai Yan, Cui-Zu Chang
Altermagnets have recently emerged as a new class of magnetic materials that combine compensated magnetic order with spin-split electronic band structures. In this work, we employ molecular beam epitaxy (MBE) to grow MnTe thin films with controlled

Scanned Squid Microscope with High-speed Electrical Connectivity

January 26, 2026
Author(s)
Ian Haygood, Bochao Xu, John Biesecker, Michael Schneider
We report on a cryogen-free scanned SQUID microscope operating at 4 K, with the capability of up to 40 RF (40 GHz) connections to a device under test. The system utilizes planar gradiometric SQUID loops which are fully shield except for a pair of pickup

Evaluating Large Language Models for Inverse Semiconductor Design

January 16, 2026
Author(s)
MUHAMMED NUR TALHA KILIC, Daniel Wines, Kamal Choudhary, Vishu Gupta, Youjia Li, Sayak Chakrabarty, WEI-KENG LIAO, Alok Choudhary, Ankit Agrawal
Large Language Models (LLMs) with generative capabilities have garnered significant attention in various domains, including materials science. However, systematically evaluating their performance for structure generation tasks remains a major challenge. In

Topological Nodal Line and Weyl Magnons in the Non-Coplanar Antiferromagnet MnTe2

December 20, 2025
Author(s)
Angela Hight Walker, Thuc Mai, Kevin Garrity
Using a combination of band representation analysis, inelastic neutron scattering (INS), magneto-Raman spectroscopy measurements, and linear spin wave theory, we determine that the non-coplanar antiferromagnet MnTe2 hosts symmetry-protected topological

Predicting Lattice Parameters from Atomic-Scale Images of Two Dimensional Materials Using Deep Learning

December 15, 2025
Author(s)
Sayak Chakrabarty, Kamal Choudhary, Youjia Li, Daniel Wines, Vishu Gupta, Muhammed Nur Talha Kilic, Alok Choudhary, Ankit Agrawal
Determining lattice parameters in two-dimensional (2D) materials is essential for materials characterization and discovery. In this work, we propose a deep-learning-driven pipeline that addresses the regression task of estimating the lattice constants (a)

Selecting the complexity of the Moore-Penrose pseudoinverse for emission ghost imaging

December 2, 2025
Author(s)
Kevin Coakley, Huaiyu Chen-Mayer, Bruce Ravel, Daniel Josell, Nikolai Klimov, Daniel Hussey
We reconstruct X-ray fluorescence signals produced by synchrotron X-rays. In our method, we select the complexity of a Moore-Penrose pseudoinverse by a data-driven method, and study how systematic errors affect results for simulated data.

Efficient measurement of length distribution of 1D nanoparticles in solution via optical polarimetry

December 1, 2025
Author(s)
Jeffrey Fagan, Richard Castellano, Da-Chi Yang, Sei Jin Park, Pavel Shapturenka, Robert Praino, Francesco Fornasiero, Jerry Shan
The efficient measurement of the length distribution of nanotubes, nanowires, and other 1D nanoparticles in solution is important to enable their incorporation into materials and devices, and to optimize their processing for properties of interest, such as

Twin-related grain boundary engineering of additively manufactured 316L stainless steel

December 1, 2025
Author(s)
Chenglu Tang, Jingfan Yang, Fan Zhang, Joseph Aroh, Ernest Porterfield, Barton Prorok, Xiaoyuan Lou
Twin-related grain boundary engineering (GBE) enhances the boundary-related degradation of materials, such as intergranular corrosion by incorporating a high density of twin boundaries. Conventional GBE typically requires one or multiple thermomechanical

Wind-Driven Fire Spread to a Structure from Composite Fences

November 26, 2025
Author(s)
Kathryn Butler, Erik Johnsson, Marco Fernandez, Shonali Nazare, Alexander Maranghides
Field observations show that combustible landscaping features are a common pathway leading fire spread directly to homes during wildland-urban interface (WUI) fires. NIST is studying how these features near a home burn to better understand their levels of

Multigas adsorption with single-site cooperativity in a metal-organic framework

November 20, 2025
Author(s)
Kurtis M. Carsch, Henry Z. Jiang, Ryan Klein, Andrew S. Rosen, Peyton Summerhill, Jesse L. Peltier, Adrian J. Huang, Ryan A. Murphy, Matthew N. Dods, Hope A. Silva, Zikri Hasanbasri, Hyunchul Kwon, Sarah H. Karstens, Yuto Yabuuchi, Jonas Boergel, Jordan W. Taylor, Katie R. Meihaus, Karen C. Bustillo, Andrew M. Minor, Kristen A. Persson, Craig Brown, R. D. Britt, Nicholas P. Stadie, Jeffrey Long
Cooperative gas adsorption in metal–organic frameworks (MOFs) is a rare phenomenon that generally involves long-range communication between multiple binding sites. We demonstrate a MOF containing cobalt(II)–methyl sites that selectively and reversibly

Charge-state dependent ion condensation near conjugated polymer backbones

November 15, 2025
Author(s)
Dilara Meli, Quentin Thomas, Guillaume Freychet, Lucas Flagg, Iain McCulloch, David Beljonne, Lee Richter, Jonathan Rivnay
Despite the technological appeal of organic mixed ionic/electronic conductors (OMIECs) for a range of applications, a deep understanding of the fundamentals of mixed charge transport in these materials, especially regarding the ionic component, is lacking
Displaying 1 - 25 of 2366
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