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Zhao, Meng

Publications and source records attributed to Zhao, Meng.

Roadmap on data-centric materials science

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

36 MATERIALS SCIENCE↗

Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100): Final Report

The Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) is a comprehensive analysis based on extensive stakeholder input of possible pathways for Puerto Rico to achieve its goal of 100% renewable energy by 2050. PR100 was an integrated effort drawing on expertise and capabilities of the contributing national laboratories that explored possible pathways for Puerto Rico to achieve its goal of 100% renewable energy in the long term (by 2050), increase reliability and resilience in the immediate term (within the next few years), and work toward energy justice. The purpose of the study is to provide decision support and inform investment decisions for implementers of Puerto Rico's energy transition. See NREL/TP-6A20-88614 for the Spanish translation of this report.

100% renewable energy target↗

El Estudio de Resiliencia de la Red Electrica de Puerto Rico y Transiciones a Energia 100% Renovable (PR100): Informe Final [Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100): Final Report]

El Estudio de Resiliencia de la Red de Puerto Rico y Transiciones a Energia 100% Renovable (PR100) es un analisis integral basado en amplios aportes de las partes interesadas sobre posibles caminos para que Puerto Rico alcance su meta de 100% de energía renovable para 2050. PR100 fue un esfuerzo integrado que se baso en experiencia y capacidades de los laboratorios nacionales contribuyentes que exploraron posibles caminos para que Puerto Rico logre su objetivo de 100% de energía renovable en el largo plazo (para 2050), aumente la confiabilidad y la resiliencia en el plazo inmediato (dentro de los proximos anos), y trabajar hacia la justicia energetica. El proposito del estudio es brindar apoyo a las decisiones e informar las decisiones de inversion para los implementadores de la transicion energetica de Puerto Rico. See NREL/TP-6A20-88384 for the English translation of this report.

100% renewable energy target↗

PR100 Final Results

This presentation includes a summary of the final results from the Puerto Rico Grid Resilience and Transition to 100% Renewable Energy Study (PR100). Led by the U.S. Department of Energy's Grid Deployment Office and the National Renewable Energy Laboratory, and funded by the Federal Emergency Management Agency, the PR100 Study was a two-year effort resulting in stakeholder-driven pathways for Puerto Rico to meet its clean energy goals. For Spanish version see https://www.nrel.gov/docs/fy24osti/88975.pdf.

100% renewable energy target↗

Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) (Summary Report)

The Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) is a comprehensive analysis based on extensive stakeholder input of possible pathways for Puerto Rico to achieve its goal of 100% renewable energy by 2050. In this summary report of the PR100 Final Report, we describe the background and motivation behind the study, provide an overview, summarize results, highlight key findings, and outline implementation actions for stakeholders to take in the immediate-, near-, mid-, and long-term to achieve Puerto Rico’s energy system goals.

100% renewable energy target↗

Estudio de Resiliencia de la Red Electrica de Puerto Rico y Transiciones a Energia 100% Renovable (PR100): Informe resumido [Spanish Translation of Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) (Summary Report)]

The Puerto Rico Grid Resilience and Transitions to 100% Renewable Energy Study (PR100) is a comprehensive analysis based on extensive stakeholder input of possible pathways for Puerto Rico to achieve its goal of 100% renewable energy by 2050. In this summary report of the PR100 Final Report, we describe the background and motivation behind the study, provide an overview, summarize results, highlight key findings, and outline implementation actions for stakeholders to take in the immediate-, near-, mid-, and long-term to achieve Puerto Rico’s energy system goals. For the English version of this report, see NREL/TP-6A20-88615 (https://www.nrel.gov/docs/fy24osti/88615.pdf).

100% renewable energy target↗

Presentacion del Webinar Publico sobre Resultados Finales del Estudio PR100

Esta presentacion incluye un resumen de los resultados finales del Estudio de Resiliencia de la Red Electrica de Puerto Rico y Transiciones a Energia 100% Renovable (PR100). Dirigido por el Departamento de Energia y el Laboratorio Nacional de Energias Renovables, y financiado por la Agencia Federal para el Manejo de Emergencias, el estudio PR100 fue un esfuerzo de dos anos que ha resultado en caminos impulsados por las partes interesadas para que Puerto Rico alcance sus metas de energia limpia. For the English version of this presentation, see NREL/PR-6A20-88773 (https://www.nrel.gov/docs/fy24osti/88773.pdf).

100% renewable energy target↗

Monte Carlo-based Transmission and Subtransmission Recovery Simulation of Hurricanes

High-impact low-probability (HILP) events can wreak havoc on electric power systems without appropriate preparedness. In this paper, the recent development of a tool, named Recovery Simulator and Analysis (RSA), is described and demonstrated. While there are many issues to consider when recovering electric power systems, the focus of RSA is on the coordination of transmission and subtransmission recovery with generation dispatch to minimize unserved energy. RSA focuses on recovery simulation to evaluate resilience as part of a planning process. RSA is demonstrated on an approximately 1400-bus Puerto Rican power system for 100 simulated instances of Hurricane Maria. Analysis of the recovery determines how many lines are critical to the recovery and which loads may experience delayed recovery. The results demonstrate the potential uses of RSA for identifying recovery decisions with low unserved energy and for identifying assets critical to recovery which can then be hardened prior to a HILP event.

Maloney, Patrick R.↗

Power System Recovery Coordinated with (Non-)Black-Start Generators

Power restoration is an urgent task after a black-out, and recovery efficiency is critical when quantifying system resilience. Multiple elements should be considered to restore the power system quickly and safely. This paper proposes a recovery model to solve a direct-current optimal power flow (DCOPF) based on mixed-integer linear programming (MILP). Since most of the generators cannot start independently, the interaction between black-start (BS) and non-black-start (NBS) generators must be modeled appropriately. The energization status of the NBS is coordinated with the recovery status of transmission lines, and both of them are modeled as binary variables. Also, only after an NBS unit receives the cranking power through connected transmission lines, will it be allowed to participate in the following system dispatch. The amount of cranking power is estimated as a fixed proportion to the maximum generation capacity. The proposed model is validated on several test systems, as well as a 1393-bus representation system of the Puerto Rican electric power grid. Test results demonstrate how the recovery of NBS units and damaged transmission lines can be optimized, resulting in an efficient and well-coordinated recovery procedure.

Zhao, Meng↗

Understanding the Capabilities and Limitations of the Controls and Operations of High Voltage Direct Current (HVdc) Converters in Interconnected Electric Power Systems

This project will seek to build a fundamental understanding, and capability, to model and simulate the controls and operations of high voltage direct current (HVdc) converter stations in an electromagnetic simulation environment. While HVdc stations have been operated in the United States for over 50 years, these are typically simple two terminal point-to-point systems. Recently multi-terminal systems have begun to be deployed. The challenge with these new multi-terminal systems is that they often use different control schemes on the different terminals. The interactions of existing and new controls, and the fact that HVdc systems are rates in the 1,000’s of MWs means that small control instabilities can have dramatic impacts to bulk power systems. Despite these challenges, the operational capabilities of HVdc make them an attractive option for the transfer of the large amounts of renewable electricity that will be necessary for decarbonization of the nation’s electrical infrastructure and other sectors.

42 ENGINEERING↗

Isolating the Electrocatalytic Activity of a Confined NiFe Motif within Zirconium Phosphate

Unique classes of active-site motifs are needed for improved electrocatalysis. Herein, the activity of a new catalyst motif is engineered and isolated for the oxygen evolution reaction (OER) created by nickel–iron transition metal electrocatalysts confined within a layered zirconium phosphate matrix. It is found that with optimal intercalation, confined NiFe catalysts have an order of magnitude improved mass activity compared to more conventional surface-adsorbed systems in 0.1 m KOH. Interestingly, the confined environments within the layered structure also stabilize Fe-rich compositions (90%) with exceptional mass activity compared to known Fe-rich OER catalysts. Through controls and by grafting inert molecules to the outer surface, it is evidenced that the intercalated Ni/Fe species stay within the interlayer during catalysis and serve as the active site. After determining a possible structure (wycherproofite), density functional theory is shown to correlate with the observed experimental compositional trends. It is further demonstrated that the improved activity of this motif is correlated to the Fe and water content/composition within the confined space. This work highlights the catalytic enhancement possibilities available through zirconium phosphate and isolates the activity from the intercalated species versus surface/edge ones, thus opening new avenues to develop and understand catalysts within unique nanoscale chemical environments.

36 MATERIALS SCIENCE↗

Machine Learning for Computational Heterogeneous Catalysis

Abstract Big data and artificial intelligence has revolutionized science in almost every field – from economics to physics. In the area of materials science and computational heterogeneous catalysis, this revolution has led to the development of scientific data repositories, as well as data mining and machine learning tools to investigate the vast materials space. The goal of using these tools is to establish a deeper understanding of the relations between materials properties and activity, selectivity and stability – the important figures of merit in catalysis. Based on these insights, catalyst design principles can be established, which hopefully lead us to discover highly efficient catalysts to solve pressing issues for a sustainable future and the synthesis of highly functional materials, chemicals and pharmaceuticals. The inherent complexity of catalytic reactions quests for machine learning methods to efficiently navigate through the high‐dimensional hyper‐surfaces in structure optimization problems to determine relevant chemical structures and transition states. In this review, we show how cutting edge data infrastructures and machine learning methods are being used to address problems in computational heterogeneous catalysis.

Schlexer Lamoureux, Philomena↗