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Materials

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Displaying 226 - 250 of 2363

Simulation of Neutron Dark-Field Data for Grating-Based Interferometers

April 1, 2024
Author(s)
Caitlyn Wolf, Youngju Kim, Paul A. Kienzle, Pushkar Sathe, Michael Daugherty, Peter Bajcsy, Daniel Hussey, Kathleen Weigandt
Hierarchical structures and heterogeneous materials are found in many natural and engineered systems including additive manufacturing, alternative energy, biology and polymer science. Though the structure–function relationship is important for developing

ALF

March 31, 2024
Author(s)
Hayden Evans, Taner N. Yildirim, Peng Peng, Yongqiang Cheng, Zeyu Deng, Qiang Zhang, Dinesh Mullangi, Dan Zhao, Pieremanuele Canepa, Hanna Breunig, Anthony Cheetham, Craig Brown

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

Impact of the Amphoteric Nature of a Chelating Surfactant on its Interaction with an Anionic Surfactant: A Surface Tension and Neutron Reflectivity Study of Binary Mixed Solutions

March 12, 2024
Author(s)
Ida Svanedal, Hakan Edlund, Magnus Norgren, Sushil Satija, Adrian Rennie
2-Dodecyldiethylenetriaminepentaacetic acid (C12-DTPA) is a chelating, amphoteric surfactant with a bulky headgroup containing eight pH-responsive groups. The hypothesis was that the amphoteric nature of the chelating surfactant would affect the

Topology as a limiting factor in mechanical properties for disordered networks

March 5, 2024
Author(s)
Marcos Reyes-Martinez, Edward Barron III, Dohgyu Hwang, Christopher Soles, Michael Bartlett, Edwin Chan
Disordered networks are ubiquitous in both the natural and synthetic worlds. Depending on the application, some are extremely soft while others are rigid. However, how network topology and intrinsic material properties combine to control deformation and

Reduction-Induced Magnetic Behavior in LaFeO3-d Thin Films

March 4, 2024
Author(s)
Nathan Arndt, Eitan Hershkovitz, Labdhi Shah, Kristoffer Kjaernes, Chao-Yao Yang, Purnima Balakrishnan, Mohammed Shariff, Shaun Tauro, Daniel Gopman, Brian Kirby, Alexander Grutter, Thomas Tybell, Honggyu Kim, Ryan Need
The effect of oxygen reduction on the magnetic properties of LaFeO3−δ (LFO) thin films was studied to better understand the viability of LFO as a candidate for magnetoionic memory. Differences in the amount of oxygen lost by LFO and its magnetic behavior

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

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

February 26, 2024
Author(s)
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

Emergent Ferromagnetism in CaRuo3/CaMnO3 (111)-Oriented Superlattices

February 17, 2024
Author(s)
Margaret Kane, Churna Bhandari, Megan Holtz, Purnima Balakrishnan, Alexander Grutter, Michael R. Fitzsimmons, Chao-Yao Yang, Sashi Satpathy, Durga Paudyal, Yuri Suzuki
The boundary between CaRuO3 and CaMnO3 is an ideal test bed for emergent magnetic ground states stabilized through interfacial electron interactions. In this system, nominally antiferromagnetic and paramagnetic materials combine to yield interfacial

A Common Data Dictionary and Common Data Model for Additive Manufacturing

February 16, 2024
Author(s)
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
Author(s)
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

Giant Low-Field Magnetocaloric Effect in the Superlattice Antiferromagnetic ErFe2Si2 Compound

February 13, 2024
Author(s)
D. Wang, X. Zheng, J. Xu, L. He, Y. Gao, H. Huang, Hui Wu, X. Cao, D. Liu, J. Shen, G. Wang, J. Zhang, Y. Wu, F. Hu, S. Wang, B. Shen
We present herein a systematic study of a polycrystalline magnetocaloric compound ErFe2Si2. It exhibits a transition from the antiferromagnetic to the paramagnetic phase around 3.0 K according to magnetic and heat capacity measurements. Neutron powder

Interface-Induced Superconductivity in Magnetic Topological Insulators

February 9, 2024
Author(s)
Hemian Yi, Yi-Fan Zhao, Ying-Ting Chan, Jiaqi Cai, Ruobing Mei, Xianxin Wu, Zi-Jie Yan, Ling-Jie Zhou, Ruoxi Zhang, Zihao Wang, Stephen Paolini, Run Xiao, Ke Wang, Anthoney Richardella, John Singleton, Laurel Winter, Thomas Prokscha, Zaher Salman, Andreas Suter, Purnima Balakrishnan, Alexander Grutter, Moses Chan, Nitin Samarth, Xiaodong Xu, Weida Wu, Chao-Xing Liu, Cui-Zu Chang
The interface between two different materials can show unexpected quantum phenomena. In this study, we used molecular beam epitaxy to synthesize heterostructures formed by stacking together two magnetic materials, a ferromagnetic topological insulator (TI)

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
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