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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Inferring the Dynamics of the State Evolution During Quantum Annealing

To solve an optimization problem using a commercial quantum annealer, one has to represent the problem of interest as an Ising or a quadratic unconstrained binary optimization (QUBO) problem and submit its coefficients to the annealer, which then returns a user-specified number of low-energy solutions. It would be useful to know what happens in the quantum processor during the anneal process so that one could design better algorithms or suggest improvements to the hardware. However, existing quantum annealers are not able to directly extract such information from the processor. Hence, in this work we propose to use advanced features of D-Wave 2000Q to indirectly infer information about the dynamics of the state evolution during the anneal process. Specifically, D-Wave 2000Q allows the user to customize the anneal schedule, that is, the schedule with which the anneal fraction is changed from the start to the end of the anneal. Furthermore, using this feature, we design a set of modified anneal schedules whose outputs can be used to generate information about the states of the system at user-defined time points during a standard anneal. With this process, called "slicing", we obtain approximate distributions of lowest-energy anneal solutions as the anneal time evolves. We use our technique to obtain a variety of insights into the annealer, such as the state evolution during annealing, when individual bits in an evolving solution flip during the anneal process and when they stabilize, and we introduce a technique to estimate the freeze-out point of both the system as well as of individual qubits.

42 ENGINEERING↗
DOE OSTI2024

Robustness of neutron star merger simulations to changes in neutrino transport and neutrino-matter interactions

Binary neutron star mergers play an important role in nuclear astrophysics: Their gravitational wave and electromagnetic signals carry information about the equation of state of cold matter above nuclear saturation density, and they may be one of the main sources of r-process elements in the Universe. Neutrino-matter interactions during and after merger impact the properties of these electromagnetic signals and the relative abundances of the produced r-process elements. Existing merger simulations are, however, limited in their ability to realistically model neutrino transport and neutrino-matter interactions. Here, we perform a comparison of the impact of the use of state-of-the art two-moment or Monte Carlo transport schemes on the outcome of merger simulations, for a single binary neutron star system with a short-lived neutron star remnant [(5–10) ms]. We also investigate the use of different reaction rates in the simulations. While the best transport schemes generally agree well on the qualitative impact of neutrinos on the system, differences in the behavior of the high-density regions can significantly impact the collapse time and the properties of the hot tidal arms in this metastable merger remnant. The chosen interaction rates and transport algorithm as well as recent improvements by Radice et al. to the two-moment algorithms can all contribute to changes at the (10–30)% level in the global properties of the merger remnant and outflows. Furthermore, the limitations of previous moment schemes fixed by Radice et al. also appear sufficient to explain the large difference that we observed in the production of heavy-lepton neutrinos in a previous comparison of Monte Carlo and moment schemes in the context of a low-mass binary neutron star system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Application of Recursive Estimation to Heat Tracing for Groundwater/Surface‐Water Exchange

Abstract We present and demonstrate a recursive‐estimation framework to infer groundwater/surface‐water exchange based on temperature time series collected at different vertical depths below the sediment/water interface. We formulate the heat‐transport problem as a state‐space model (SSM), in which the spatial derivatives in the convection/conduction equation are approximated using finite differences. The SSM is calibrated to estimate time‐varying specific discharge using the Extended Kalman Filter (EKF) and Extended Rauch‐Tung‐Striebel Smoother (ERTSS). Whereas the EKF is suited to real‐time (“online”) applications and uses only the past and current measurements for estimation (filtering), the ERTSS is intended for near‐real time or batch‐processing (“offline”) applications and uses a window of data for batch estimation (smoothing). The two algorithms are demonstrated with synthetic and field‐experimental data and are shown to be efficient and rapid for the estimation of time‐varying flux over seasonal periods; further, the recursive approaches are effective in the presence of rapidly changing flux and (or) nonperiodic thermal boundary conditions, both of which are problematic for existing approaches to heat tracing of time‐varying groundwater/surface‐water exchange.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

LandScan Global 2023: Silver Edition

For a quarter of a century, the LandScan Global (LSG) project has annually released a global, high-resolution gridded population dataset representing the ambient or unwarned population at a 30 arcsecond resolution. LSG supports a range of applications such as emergency management, disaster response, and human health and security for understanding populations at risk. The 2023 release of LSG, the LandScan Silver Edition, represents a major methodological leap forward while also leveraging previous knowledge—the previous year was the baseline for the current annual update carrying forward valuable knowledge of the built environment for the past quarter century—to train the machine learning models. Compared with annual releases over the past 24years, multiple advancements were made to different aspects of the methodology to achieve reproducibility, transparency, and consistent global propagation of solutions to modeling or population distribution issues identified during the review process. These novel changes include incorporation of the latest available geospatial inputs across the globe, machine learning models instead of manual modifications, population feature importance analysis, open-source solutions vs. proprietary software, generation of multiple global versions, analytic validations, and human-in-the-loop revisions to produce the final version. Additionally, algorithms—such as anomaly detection—were introduced to quickly identify areas of focus to develop a new and robust systematic review. Significant changes in modeled population distributions were observed between the 2022 and 2023 releases, largely attributable to improvements in data and methods and discussed thoroughly within this report. In summation, the LandScan Silver Edition leverages the best of the past quarter century of LSG legacy knowledge and continues a tradition of applying cutting-edge enhancements to serve as a new benchmark for accurate, actionable gridded population data

Lebakula, Viswadeep↗
DOE OSTI2025

Detecting Process Equipment Failures Using Acoustic Data and Machine Learning

Nuclear power plant (NPP) process equipment such as fans, motors, valves, and pumps generate frequent or continuous noise, and deviations from the normal operational sounds made by this equipment can indicate potential issues. These deviations can be identified via automated acoustic anomaly detection, which involves using acoustic sensors (i.e., microphones) alongside detection algorithms to continuously monitor for changes in acoustic signatures. This task is made challenging by the substantial background noise that exists, such as operators opening and closing doors, manipulating valves, and conversing—in addition to typical plant noises. In collaboration with a nuclear power utility partner, this effort assessed the efficacy of acoustic anomaly detection when using a specific acoustic sensor that compresses data into a fixed set of features that are transferable over a standard Internet of Things communication protocol, thereby improving usability but potentially degrading detection performance. Two methods of performing automated acoustic anomaly detection were evaluated: one-class support vector machine (OC-SVM) and isolation forest (iForest). To enable the use of high-quality acoustic data encompassing both normal and anomalous conditions, the study utilized the publicly available Malfunctioning Industrial Machine Investigation and Inspection dataset, which includes real measured acoustic sensor data for a range of equipment types, model numbers, and signal-to-noise ratios (SNRs), along with a benchmark set of detection results. Using this dataset, the methods were tested and then compared against the benchmark results. The results indicated that although the specific acoustic sensor did not enable as rich a feature set extraction, the proposed methods with the limited feature set performed just as well. This provides solid justification for both the methods and the use of the proposed acoustic sensor.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2022

A deep learning-enhanced framework for multiphysics joint inversion

Joint inversion has drawn considerable attention due to the availability of multiple geophysical data sets, ever-increasing computational resources, the development of advanced algorithms, and its ability to reduce inversion uncertainty. A key issue of joint inversion is to develop effective strategies to link different geophysical data in a unified mathematical framework, in which the information obtained from different models can complement each other. We have developed a deep learning-enhanced joint inversion framework to simultaneously reconstruct different physical models by fusing different types of geophysical data. Traditionally, structure similarity constraints are pursued by joint inversion algorithms using manually crafted formulations (e.g., cross gradient). The constraint is constructed by a deep neural network (DNN) during the learning process. The framework is designed to combine the DNN and a traditional independent inversion workflow and improve the joint inversion result iteratively. The network can be easily extended to incorporate multiphysics without structural changes. Numerical experiments on the joint inversion of 2D DC resistivity data and seismic traveltime are used to validate our method. In addition, this learning-based framework demonstrates excellent generalization abilities when tested on data sets using different geologic structures. It also can handle different sensing configurations and nonconforming discretization.

Geochemistry & Geophysics↗
DOE OSTI2025

Combining Observations and Models: A Review of the CARDAMOM Framework for Data‐Constrained Terrestrial Ecosystem Modeling

The rapid increase in the volume and variety of terrestrial biosphere observations (i.e., remote sensing data and in situ measurements) offers a unique opportunity to derive ecological insights, refine process‐based models, and improve forecasting for decision support. However, despite their potential, ecological observations have primarily been used to benchmark process‐based models, as many past and current models lack the capability to directly integrate observations and their associated uncertainties for parameterization. In contrast, data assimilation frameworks such as the CARbon DAta MOdel fraMework (CARDAMOM) and its suite of process‐based models, known as the Data Assimilation Linked Ecosystem Carbon Model (DALEC), are specifically designed for model‐data fusion. This review, motivated by a recent CARDAMOM community workshop, examines the development and applications of CARDAMOM, with an emphasis on its role in advancing ecosystem process understanding. CARDAMOM employs a Bayesian approach, using a Markov Chain Monte Carlo algorithm to enable data‐driven calibration of DALEC parameters and initial states (i.e., carbon pool sizes) through observation operators. CARDAMOM's unique ability to retrieve localized model process parameters from diverse datasets—ranging from in situ measurements to global satellite observations—makes it a highly flexible tool for analyzing spatially variable ecosystem responses to environmental change. However, assimilating these data also presents challenges, including data quality issues that propagate into model skill, as well as trade‐offs between model complexity, parameter equifinality, and predictive performance. We discuss potential solutions to these challenges, such as reducing parameter equifinality by incorporating new observations. This review also offers community recommendations for incorporating emerging datasets, integrating machine learning techniques, strengthening collaboration with remote sensing, field, and modeling communities, and expanding CARDAMOM's relevance for localized ecosystem monitoring and decision‐making. CARDAMOM enables a deep, mechanistic understanding of terrestrial ecosystem dynamics that cannot be achieved through empirical analyses of observational datasets or weakly constrained models alone.

Bayesian inference↗
DOE OSTI2021

A Reconfigurable Neural Network ASIC for Detector Front-End Data Compression at the HL-LHC

Despite advances in the programmable logic capabilities of modern trigger systems, a significant bottleneck remains in the amount of data to be transported from the detector to off-detector logic where trigger decisions are made. We demonstrate that a neural network (NN) autoencoder model can be implemented in a radiation-tolerant application-specific integrated circuit (ASIC) to perform lossy data compression alleviating the data transmission problem while preserving critical information of the detector energy profile. For our application, we consider the high-granularity calorimeter from the Compact Muon Solenoid (CMS) experiment at the CERN Large Hadron Collider. The advantage of the machine learning approach is in the flexibility and configurability of the algorithm. By changing the NN weights, a unique data compression algorithm can be deployed for each sensor in different detector regions and changing detector or collider conditions. To meet area, performance, and power constraints, we perform quantization-aware training to create an optimized NN hardware implementation. The design is achieved through the use of high-level synthesis tools and the hls4ml framework and was processed through synthesis and physical layout flows based on a low-power (LP)-CMOS 65-nm technology node. The flow anticipates 200 Mrad of ionizing radiation to select gates and reports a total area of 3.6 mm 2 and consumes 95 mW of power. The simulated energy consumption per inference is 2.4 nJ. Furthermore, this is the first radiation-tolerant on-detector ASIC implementation of an NN that has been designed for particle physics applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Development of Control System Functional Capabilities within the IES Plug-and-Play Simulation Environment

The concept of an Integrated Energy System (IES) is meant to combine different energy technologies in synergistic ways to achieve a more secure and economical energy supply. The RAVEN-based HYBRID framework is used to find the optimal installed capacity and the optimal economical dispatch of each component of the IES. A new RAVEN (Risk Analysis Virtual ENvironment) plugin for grid and capacity optimization (HERON) has been developed for optimizing the production variables of the IES given the demand profile. Currently, only the limits that affect the production variables and their corresponding time rates of change are considered (explicit constraints). However, other variables are additionally subject to constraints, but the associated limits are not accounted for (implicit constraints). In particular, for the power dispatch problem, the optimization algorithm takes into account the limits on the electrical power output and the corresponding hourly power variations but does not consider other constraints on process variables whose response effects the service life of the IES. This report describes a scheme that allows accounting for implicit constraints without increasing the size of the optimization problem. The Reference Governor (RG) algorithm is traditionally used for enforcing state and control constraints by modifying the set-point trajectories supplied to the feedback regulators. In our application, the RG is coupled within an iterative loop with the HERON-power dispatcher to generate optimal trajectories that ensure the operational constraints are met. A data-driven procedure to derive a representation of the dynamics of the controlled system was developed. First, the variables that represented the state of the system are selected (PCA-based approach), and then state-space representation matrices are derived from the collected measurements (DMDc algorithm). A preliminary version of the developed workflow based on Linear Time Invariant matrices was assessed by adopting a two-unit test case. More sophisticated versions of this workflow foreseeing the on-line derivation of system matrices will be deployed in FY 2021. Finally, a “plug-and-play” library of controllers and state observers was developed in Dymola. Some aspects of the current configuration of the IES unit components, e.g., the encapsulation of the control schemes into dedicated blocks, are consistent with the “plug-and-play” philosophy. Other features, e.g., the system buses collecting the input and the output variables, are not. For this reason, once listed and described the limits of the current configuration, necessary modifications to the plant model interface are presented. As a test-case, the interfaces of the SES model in the RAVEN-based HYBRID framework were reworked accordingly, and two different control schemes were applied to the same plant model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Hybrid Analytics Solution to Improve Coal Power Plant Operations

This project focused on developing advanced methods for thermal performance monitoring of a coal-fueled power plant. The specific goal was to develop and demonstrate a new thermal performance monitoring approach using a hybrid model that integrates a physics-based heat balance model with a machine learning-based pattern recognition model. The hybrid model enables increased accuracy and scope of the thermal analysis and an improved ability to monitor and detect changes in plant operation. This new approach takes full advantage of the individual model capabilities and creates an important new set of capabilities not previously possible using the two types of models separately. Using the heat balance model, a rich set of derived parameters (virtual sensors) are calculated from the measured plant operating data at each time point. The combined measured and derived data values are used by machine learning algorithms to create pattern recognition models over the range of normal unit operation. To create the monitoring models, historical data from normal operation of the plant is first processed by the heat balance model to compute the derived parameter data. The result is a greatly expanded set of normal operating data that can be used as input to create the pattern recognition model. Once the models are calibrated for normal operation, the hybrid model is suitable for use in continuous online monitoring. During online monitoring, new plant operating data is processed first by the heat balance model and then by the pattern recognition model. Results from the pattern recognition model quantify the deviation of each measured or derived parameter from its expected value in normal operation. The hybrid models can detect abnormal changes in plant operating data with very high accuracy and sensitivity. When abnormal behavior is detected, alerts are generated automatically for evaluation by the plant monitoring staff. The new hybrid solution product was developed and verified in the performance of the project. The hybrid solution was tested first in a simulation environment that mimicked the plant data systems and infrastructure used by U.S. power generating plants and utilities. The hybrid solution was then deployed for real-time, online monitoring of an operating coal-fueled power plant at a field test site. Field testing demonstrated that all hybrid solution development objectives were accomplished. The project work was based on combining the capabilities of two existing software products to create the new hybrid solution product. One of these was the existing MapEx® heat balance product and the other was the existing SureSense® advanced pattern recognition product. Each of these separate products was assessed to be at a Technology Readiness Level (TRL) of 9 at the start of the effort. The hybrid solution product was assessed to be at a TRL of 2 at the start of the project based on early feasibility work by the project team. At completion of the field testing performed in the project, the hybrid solution product was assessed to be at a TRL of 7. The project team expects that the hybrid solution product will be deployed commercially and will achieve a TRL of 9 within one year after completion of the project.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Metal-embedded fiber optic sensor packaging and signal demodulation scheme towards high-frequency dynamic measurements in harsh environments

Optical fiber-based sensors are commonly used for industrial monitoring and control processes due to their small size, resistance to electromagnetic interference, and ability to perform a wide variety of high-precision measurements. However, implementing optical fiber sensors in harsh environments is challenging because they are small and fragile. Proper packaging of fiber-optic sensors could extend their use to harsh environments, including at high temperature and under high radiation. Furthermore, conventional fiber optic-based measurement systems often use computationally expensive signal processing algorithms which hinder their use in high-frequency dynamic applications. This work reports on the design of an optical fiber-pressure sensor system based on low-coherence interferometry that uses a metal-embedded optical fiber to provide a robust sensor package. Additionally, a novel phase demodulation scheme is proposed to extract length changes from the deformation of a thin diaphragm within a Fabry–Pérot cavity to measure pressure. The sensor has been tested to ±100 kPa, has a theoretical linear response over a 270 kPa dynamic range (24 dB maximum signal-to-noise ratio), and can resolve pressure transients up to 3910 kPa/s. Sampling at 100 kHz, the present sensor can resolve 2 kPa dynamic pressures at frequencies up to 2 kHz. Faster transients on the order of tens to hundreds of kHz can theoretically be resolved at the expense of decreasing the maximum resolvable amplitude. A methodology for designing a LCI pressure sensor for a given application is outlined based on the limitations imposed by the Nyquist criterion, the diaphragm's resonant frequency, the LCI optoelectronics, and the phase demodulation scheme. The sensor is the first to implement a low-coherence light source and a Fabry–Pérot interferometer designed to provide real-time high-fidelity pressure measurements using a metal-embedded optical fiber. The demonstrated sensor provides a platform for sensing in harsh conditions such as in nuclear and energy applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Photoacoustic 3-D imaging of polycrystalline microstructure improved with transverse acoustic waves

Non-invasive fast imaging of grain microstructure of polycrystalline ceria with sub-micrometric spatial resolution is performed via time-domain Brillouin scattering. The propagation of a nanoacoustic pulse is monitored down to 8 µm deep in a 30 × 30 µm2 area. Grains boundaries are reconstructed in three-dimensions via a twostep processing method, relying on the wavelet synchro-squeezed transform and the alpha shape algorithm. Imaging contrast is improved by taking advantage of stronger sensitivity to anisotropy of transverse acoustic waves, compared with longitudinal waves. Utilization of transverse waves in the image processing reveals additional boundaries that are not discerned using longitudinal waves, confirmed by an electron backscattering diffraction pattern. A buried inclined interface between differently oriented grains is identified by monitoring changes in amplitude (phase) of the portion of the signal associated with transverse (longitudinal) waves. Estimates of the inclination angle of this interface prove the sensitivity of our laser ultrasonic method to image inclined boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Emerging Plug Load Management Technologies that Save Energy and Time

This fact sheet introduces two emerging technologies that could streamline plug load management (PLM) for increased energy savings for building owners: learning behavior algorithms (LBA) and automatic and dynamic load detection (ADLD). Plug loads are responsible for 47% of the energy consumed in commercial buildings, yet their distributed and ever-changing nature makes them challenging to manage. PLM systems exist today that use smart plugs to meter and control devices at the outlet level, but their uptake has been relatively slow in part because of the significant labor required for installation and maintenance. LBA and ADLD may address these challenges and provide additional energy efficiency and nonenergy benefits.

Plug and process loads, PPL, plug loads, plug load↗
DOE OSTI2025

Development of Automated Atom Probe Tomography capability to study the influence of applied voltage and laser power on the final apparent composition of the analyzed specimen

This study presents the development and implementation of an autonomous Bayesian optimization (BO) framework for controlling and optimizing experimental parameters in Atom Probe Tomography (APT). Using commercial silicon needle samples as a benchmark system, we demonstrate that BO can efficiently navigate the complex parameter space of voltage and laser power to achieve target charge state ratios (specifically Si + /(Si + +Si 2+ )) with minimal experimental evaluations. Our implementation integrates Gaussian Process modeling with the CAMECA atom probe control framework, enabling autonomous adjustment of experimental conditions in real-time. Results show that the algorithm successfully converges to target ratios under different scenarios: maintaining a reference ratio, increasing the ratio (favoring Si 1+ ), and decreasing the ratio (favoring Si 2+ ). The system adapts to specimen evolution during analysis, compensating for changes in apex geometry while maintaining optimization targets. This work establishes a proof of concept for AI-driven optimization in APT, addressing the traditional challenges of manual parameter tuning and paving the way for applications to more complex materials where compositional accuracy is critical.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Lookup Table Based Low Resource Usage Waveform Data Compression Block in FPGA

aA lookup table based lossless data compression scheme suitable for FPGA implementation, with very low silicon resource usage, is developed. Different algorithms can be implemented by simply changing the contents of the lookup tables in the functional block while keeping the logic circuits unchanged. It exhibits performance comparable to the zip compression software in Linux distributions. The compression block can fit into almost any existing FPGA used in the online data acquisition systems of high energy physics experiments. The decompression process can be performed in either software or in FPGA firmware, allowing users to process compressed data flexibly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories

Here, the accurate mapping of potential energy surfaces (PESs) is crucial to our understanding of the numerous physical and chemical processes mediated by atomic rearrangements, such as conformational changes and chemical reactions, and the thermodynamic and kinetic feasibility of these processes. Stochastic electronic structure theories, e.g., Quantum Monte Carlo (QMC) methods, enable highly accurate total energy calculations that in principle can be used to construct the PES. However, their stochastic nature poses a challenge to the computation and use of forces and Hessians, which are typically required in algorithms for minimum-energy pathway (MEP) and transition state (TS) identification, such as the nudged elastic band (NEB) algorithm and its climbing image formulation. Here, we present strategies that utilize the surrogate Hessian line-search method, previously developed for QMC structural optimization, to efficiently identify MEP and TS structures without requiring force calculations at the level of the stochastic electronic structure theory. By modifying the surrogate Hessian algorithm to operate in path-orthogonal subspaces and at saddle points, we show that it is possible to identify MEPs and TSs by using a force-free QMC approach. We demonstrate these strategies via two examples, the inversion of the ammonia (NH 3 ) molecule and the nucleophilic substitution (S N 2) reaction F – + CH 3 F → FCH 3 + F – . We validate our results using Density Functional Theory (DFT)- and Coupled Cluster (CCSD, CCSD(T))-based NEB calculations. We then introduce a hybrid DFT-QMC approach to compute thermodynamic and kinetic quantities, free energy differences, rate constants, and equilibrium constants that incorporates stochastically optimized structures and their energies, and show that this scheme improves upon DFT accuracy. Our methods generalize straightforwardly to other systems and other high-accuracy theories that similarly face challenges computing energy gradients, paving the way for highly accurate PES mapping, transition state determination, and thermodynamic and kinetic calculations at significantly reduced computational expense.

Iyer, Gopal R.↗
DOE OSTI2022

merlin , an improved framework for the reconstruction of high-quality genome-scale metabolic models

Abstract Genome-scale metabolic models have been recognised as useful tools for better understanding living organisms’ metabolism. merlin (https://www.merlin-sysbio.org/) is an open-source and user-friendly resource that hastens the models’ reconstruction process, conjugating manual and automatic procedures, while leveraging the user's expertise with a curation-oriented graphical interface. An updated and redesigned version of merlin is herein presented. Since 2015, several features have been implemented in merlin, along with deep changes in the software architecture, operational flow, and graphical interface. The current version (4.0) includes the implementation of novel algorithms and third-party tools for genome functional annotation, draft assembly, model refinement, and curation. Such updates increased the user base, resulting in multiple published works, including genome metabolic (re-)annotations and model reconstructions of multiple (lower and higher) eukaryotes and prokaryotes. merlin version 4.0 is the only tool able to perform template based and de novo draft reconstructions, while achieving competitive performance compared to state-of-the art tools both for well and less-studied organisms.

Capela, João (ORCID:0000000212352922)↗
DOE OSTI2024

A review on machine learning-guided design of energy materials

Abstract The development and design of energy materials are essential for improving the efficiency, sustainability, and durability of energy systems to address climate change issues. However, optimizing and developing energy materials can be challenging due to large and complex search spaces. With the advancements in computational power and algorithms over the past decade, machine learning (ML) techniques are being widely applied in various industrial and research areas for different purposes. The energy material community has increasingly leveraged ML to accelerate property predictions and design processes. This article aims to provide a comprehensive review of research in different energy material fields that employ ML techniques. It begins with foundational concepts and a broad overview of ML applications in energy material research, followed by examples of successful ML applications in energy material design. We also discuss the current challenges of ML in energy material design and our perspectives. Our viewpoint is that ML will be an integral component of energy materials research, but data scarcity, lack of tailored ML algorithms, and challenges in experimentally realizing ML-predicted candidates are major barriers that still need to be overcome.

36 MATERIALS SCIENCE↗