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Navigating energy landscapes for materials discovery:Integrating modeling,simulation,and machine learning

Materials Genome Engineering Advances 2024年第1期2卷 21-37页

作者： Sajid Mannan vaibhav bihani N.M.Anoop Krishnan John C.Mauro Department of Civil Engineering Indian Institute of Technology DelhiHauz KhasNew DelhiIndia Yardi School of Artificial Intelligence Indian Institute of Technology DelhiHauz KhasNew DelhiIndia Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPennsylvaniaUSA

The energy landscape represents a high-dimensional mapping of the configurational states of an atomic system with their respective *** isobaric conditions,enthalpy landscapes can be used to account for volumetric changes of the *** the energy or enthalpy landscape holds the key for discovering materials with targeted properties,since the landscape encapsulates the complete thermodynamic and kinetic behavior of a system,including relaxation,metastable phases,and ***,the curse of dimensionality prohibits one from enumerating and visualizing the energy landscape-the energy landscape of an N-atom system has 3N ***,we outline the emerging computational techniques that allow the exploration of complex energy landscapes of materials in three distinct categories:the classical,metaheuristic,and machine learning *** discuss the advantages and disadvantages associated with each of these methods,with a focus on the nature of problems where they can provide excellent solutions(and vice versa).Altogether,in addition to giving an overview of existing approaches,we hope the review provides an impetus to develop novel methods to explore the energy landscapes that can,in turn,provide both a fundamental understanding of the physics of materials and accelerate the discovery of novel materials.

关键词： energy landscape enthalpy landscape machine learning molecular simulation optimization

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Analysis of the Impact of Different PEV Battery Chargers during Faults

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Journal of Power and Energy Engineering 2014年第8期2卷 31-44页

作者： Andrew D. Clarke Himanshu A. bihani Elham B. Makram Keith A. Corzine Department of Electrical and Computer Engineering Clemson University Clemson USA

With a high penetration of Plug-In Electric Vehicles (PEVs) in the electric grid, utilities will have to face the challenges related to them. Considerable research is being done to study and mitigate the impact of PEVs on the electric grid and devise methodologies to utilize them for energy storage and distributed generation. In this paper, the impact of PEVs in a smart car park, placed in an unbalanced distribution system, during a Single Line to Ground fault with auto-recloser operation is studied. Level-2, bidirectional battery chargers with Current Controlled and Voltage Controlled Voltage Source Converters are modeled for the battery charging systems of the PEVs. A smart car park, with 16 vehicles connected to each of the three phases is simulated at one of the buses in the IEEE 13 Bus Test Feeder. The impacts observed during the fault are analyzed and a method to mitigate them is suggested.

关键词： Electric Vehicles Battery Chargers Voltage Source Converters Current Control Voltage Control Power Distribution Faults

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