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19942026
most citedNew Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides

1.8k citations

Showing 2024Show all

35 papers · 1 filter

cond-mat.mtrl-sci2024★ 5 cited

Theory of Transient Heat Conduction

David E. Crawford, Yi Zeng, Judith Vidal +1

Ultrafast and nanoscale heat conduction demands a unified theoretical framework that rigorously bridges macroscopic transport equations with microscopic material properties derived…

cond-mat.mtrl-sci2024★ 2 cited

Ion exchange synthesizes layered polymorphs of MgZrN and MgHfN, two metastable semiconductors

Christopher L. Rom, Matthew Jankousky, Maxwell Q. Phan +5

The synthesis of ternary nitrides is uniquely difficult, in large part because elemental N is relatively inert. However, lithium reacts readily with other metals and N, mak…

cs.CY2024★ 4 cited

Integrating Energy-Efficient Computing Research to Accelerate Energy Technology

Michael James Martin, Aaron Andersen, Charles Tripp +2

NREL's computational sciences center hosts the largest high-performance computing (HPC) capabilities dedicated to energy research while functioning as a living laboratory for energ…

physics.ao-ph2024★ 4 cited

ERF: Energy Research and Forecasting Model

Aaron Lattanzi, Ann Almgren, Eliot Quon +8

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remai…

cond-mat.mes-hall2024★ 21 cited

Optical activity of chiral excitons

Peter C. Sercel, Matthew P. Hautzinger, Ruyi Song +2

Recent activity in the area of chiroptical phenomena has been focused on the connection between structural asymmetry, electron spin configuration and light matter interactions in c…

cond-mat.mtrl-sci2024★ 1 cited

Revealing the Evolution of Order in Materials Microstructures Using Multi-Modal Computer Vision

Arman Ter-Petrosyan, Michael Holden, Jenna A. Bilbrey +11

The development of high-performance materials for microelectronics, energy storage, and extreme environments depends on our ability to describe and direct property-defining microst…

physics.ao-ph2024★ 6 cited

Tackling extreme urban heat: a machine learning approach to assess the impacts of climate change and the efficacy of climate adaptation strategies in urban microclimates

Grant Buster, Jordan Cox, Brandon N. Benton +1

As urbanization and climate change progress, urban heat becomes a priority for climate adaptation efforts. High temperatures concentrated in urban heat can drive increased risk of…

cond-mat.soft2024★ 8 cited

Chiral, Topological, and Knotted Colloids in Liquid Crystals

Ye Yuan, Ivan I. Smalyukh

The geometric shape, symmetry, and topology of colloidal particles often allow for controlling colloidal phase behavior and physical properties of these soft matter systems. In liq…

math.NA2024

Application of a Temporal Multiscale Method for Efficient Simulation of Degradation in PEM Water Electrolysis under Dynamic Operation

Dayron Chang Dominguez, An Phuc Dam, Thomas Richter +2

Hydrogen is vital for sectors like chemicals and others, driven by the need to reduce carbon emissions. Proton Electrolyte Membrane Water Electrolysis (PEMWE) is a key technology f…

physics.plasm-ph2024★ 1 cited

Triboplasma assisted chemical conversion in granular systems: a semi-analytic model

Hariswaran Sitaraman, Sankaran Sundaresan

We present a semi-analytic model for a novel plasma-assisted chemical conversion pathway using triboplasmas generated in granular flows. Triboelectric charge relaxation is a well k…

eess.SY2024★ 3 cited

Market Implications of Alternative Operating Reserve Modeling in Wholesale Electricity Markets

Hamid Davoudi, Fengyu Wang, Yonghong Chen +3

Pricing and settlement mechanisms are crucial for efficient re-source allocation, investment incentives, market competition, and regulatory oversight. In the United States, Regiona…

cond-mat.mtrl-sci2024★ 36 cited

Magnon-mediated exciton-exciton interaction in a van der Waals antiferromagnet

Biswajit Datta, Pratap Chandra Adak, Sichao Yu +17

Excitons are fundamental excitations that govern the optical properties of semiconductors. Interacting excitons can lead to various emergent phases of matter and large nonlinear op…

eess.SY2024★ 1 cited

A Fast Dynamic Internal Predictive Power Scheduling Approach for Power Management in Microgrids

Neethu Maya, Bala Kameshwar Poolla, Seshadhri Srinivasan +2

This paper presents a Dynamic Internal Predictive Power Scheduling (DIPPS) approach for optimizing power management in microgrids, particularly focusingon external power exchanges…

cs.CE2024★ 10 cited

On the Effectiveness of Neural Operators at Zero-Shot Weather Downscaling

Saumya Sinha, Brandon Benton, Patrick Emami

Machine learning (ML) methods have shown great potential for weather downscaling. These data-driven approaches provide a more efficient alternative for producing high-resolution we…

cond-mat.mtrl-sci2024

High-temperature observation of intralayer, interlayer, and Rydberg excitons in bulk van der Waals alloy single crystals

Pravrati Taank, Asif Ali, Aravind Raji +4

Transition metal dichalcogenides (TMDs) exhibit remarkable optical properties due to the diverse number of strongly bound excitons, which can be fine-tuned by alloying. Despite a f…

cond-mat.mtrl-sci2024★ 11 cited

From Prediction to Experimental Realization of Ferroelectric Wurtzite AlGdN Alloys

Cheng-Wei Lee, Rebecca W. Smaha, Geoff L. Brennecka +3

AlN-based alloys find widespread application in high-power microelectronics, optoelectronics, and electromechanics. The realization of ferroelectricity in wurtzite AlN-based hetero…

physics.ao-ph2024★ 6 cited

Super Resolution for Renewable Energy Resource Data With Wind From Reanalysis Data and Application to Ukraine

Brandon N. Benton, Grant Buster, Pavlo Pinchuk +4

With a potentially increasing share of the electricity grid relying on wind to provide generating capacity and energy, there is an expanding global need for historically accurate,…

cond-mat.mtrl-sci2024★ 14 cited

From Text to Test: AI-Generated Control Software for Materials Science Instruments

Davi M Fébba, Kingsley Egbo, William A. Callahan +1

Large language models (LLMs) are transforming the landscape of chemistry and materials science. Recent examples of LLM-accelerated experimental research include virtual assistants…

physics.soc-ph2024★ 27 cited

Equity Implications of Net-Zero Emissions: A Multi-Model Analysis of Energy Expenditures Across Income Classes Under Economy-Wide Deep Decarbonization Policies

John Bistlinea, Chikara Onda, Morgan Browning +13

With companies, states, and countries targeting net-zero emissions around midcentury, there are questions about how these targets alter household welfare and finances, including di…

cond-mat.mtrl-sci2024★ 9 cited

GdWN is a Nitride Perovskite

Rebecca W. Smaha, John S. Mangum, Neha Yadav +8

Nitride perovskites N are an emerging and highly under-explored class of materials that are of interest due to their intriguing calculated ferroelectric, optoelectronic, an…

math.NA2024★ 4 cited

SUNDIALS Time Integrators for Exascale Applications with Many Independent ODE Systems

Cody J. Balos, Marc Day, Lucas Esclapez +8

Many complex systems can be accurately modeled as a set of coupled time-dependent partial differential equations (PDEs). However, solving such equations can be prohibitively expens…

physics.flu-dyn2024

Improved pressure-gradient sensor for the prediction of separation onset in RANS models

Kevin Patrick Griffin, Ganesh Vijayakumar, Ashesh Sharma +1

We improve upon two key aspects of the Menter shear stress transport (SST) turbulence model: (1) We propose a more robust adverse pressure gradient sensor based on the strength of…

math.OC2024★ 1 cited

Adaptive Computing for Scale-up Problems

Kevin Patrick Griffin, Hilary Egan, Marc T. Henry de Frahan +11

Adaptive Computing is an application-agnostic outer loop framework to strategically deploy simulations and experiments to guide decision making for scale-up analysis. Resources are…

eess.SY2024★ 6 cited

Unsupervised Learning for Equitable DER Control

Zhenyi Yuan, Guido Cavraro, Ahmed S. Zamzam +1

In the context of managing distributed energy resources (DERs) within distribution networks (DNs), this work focuses on the task of developing local controllers. We propose an unsu…