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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Geometry-aware framework for deep energy method: An application to structural mechanics with hyperelastic materials

Here, in this work, we introduce a novel physics-informed framework named the Geometry-Aware Deep Energy Method (GADEM) for solving structural mechanics problems on different geometries. As the weak form of the physical system equation (or the energy-based approach) has demonstrated clear advantages compared to the strong form for solving solid mechanics problems, GADEM employs the weak form and aims to infer the solution on multiple shapes of geometries. Integrating a geometry-aware framework into an energy-based method results in an effective physics-informed deep learning model in terms of accuracy and computational cost. Different ways to represent the geometric information and to encode the geometric latent vectors are investigated in this work. We introduce a loss function of GADEM which is minimized based on the potential energy of all considered geometries. An adaptive learning method is also employed for the sampling of collocation points to enhance the performance of GADEM. We present some applications of GADEM to solve solid mechanics problems, including a loading simulation of a toy tire involving contact mechanics and large deformation hyperelasticity. The numerical results of this work demonstrate the remarkable capability of GADEM to infer the solution on various and new shapes of geometries using only one trained model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Interaction–Deletion: A Composite Energy Method for the Optimization of Molecular Systems Selectively Removing Specific Nonbonded Interactions

The complex interactions between different portions of a large molecule can be challenging to analyze through traditional electronic structure calculations. Moreover, standard methods cannot easily quantify the physical consequences of individual pairwise interactions inside a molecule. By creating a set of molecular fragments, we propose a composite energy method to explore changes in a molecule caused by removing selected nonbonded interactions between different molecular portions. Energies and forces are easily obtained with this composite approach, allowing geometry optimizations that lead to chemically meaningful structures that describe how the omitted interactions contribute to changes in the local geometrical minima. We illustrate the application of our new hybrid scheme by computing the influence of intramolecular hydrogen-bonding interactions in two small molecules: 1,6-(tG + G + TG + G + g – )-hexanediol and a cyclic analogue, cis-1,4-cyclohexanediol. The resulting structural and energetic changes are interpreted to yield key physical insights and quantify concepts such as “preparation energy” or “reorganization energy”. We demonstrate that the composite method can be extended to larger molecular systems by showing its application on a Si(100) surface model containing interactions between dissociated ammonia molecules on adjacent surface dimers. The scheme’s efficacy is also tested by applying it to systems having multiple intramolecular interactions, viz., 310-polyglycine and H+GPGG. Furthermore, the cooperative nature of intramolecular hydrogen bonds is explored by using interaction–deletion in 2-nitrobenzene-1,3-diol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

An energy-optimization method to study gel-swelling in confinement

Using our open-source programming environment Morpho, an energy-optimization method is developed to compute equilibrium shapes of an arbitrarily confined swollen hydrogel. The internal strains and contact forces are measured, probing its mechanics.

Joshi, Chaitanya↗
DOE OSTI2023

Slater transition methods for core-level electron binding energies

Methods for computing core-level ionization energies using self-consistent field (SCF) calculations are evaluated and benchmarked. These include a “full core hole” (or “ΔSCF”) approach that fully accounts for orbital relaxation upon ionization, but also methods based on Slater’s transition concept in which the binding energy is estimated from an orbital energy level that is obtained from a fractional-occupancy SCF calculation. A generalization that uses two different fractional-occupancy SCF calculations is also considered. The best of the Slater-type methods afford mean errors of 0.3–0.4 eV with respect to experiment for a dataset of K-shell ionization energies, a level of accuracy that is competitive with more expensive many-body techniques. An empirical shifting procedure with one adjustable parameter reduces the average error below 0.2 eV. Here, this shifted Slater transition method is a simple and practical way to compute core-level binding energies using only initial-state Kohn–Sham eigenvalues. It requires no more computational effort than ΔSCF and may be especially useful for simulating transient x-ray experiments where core-level spectroscopy is used to probe an excited electronic state, for which the ΔSCF approach requires a tedious state-by-state calculation of the spectrum. As an example, we use Slater-type methods to model x-ray emission spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Energy Saving Analysis Using Energy Intensity Usage and Specific Energy Consumption Methods

This study presents the energy saving analysis reached through employing the energy intensity usage and specific energy consumption method. The energy analyses conducted in this study are used for implementing a new technology. However, they are additionally used to evaluate the latest concepts, techniques, processes, and uses for technologies, which are aimed at improvement of energy savings. This study shows the correlation between energy consumption, potential energy savings, and the impact of the energy assessment in different industrial sectors. The correlation is found by using two indicators: (1) the energy intensity usage (EIU) and (2) the specific energy consumption (SEC). The data analysis in this study considers the assessments for 67 industries from 2015 to 2019 and classifies those assessments using the Standard Industrial Classification (SIC) code. The results show that energy savings and energy consumption are linearly related. Also, the energy assessment improves energy performance in a more significant way for smaller companies than for larger industries. Furthermore, these results can be extrapolated by identifying the potential benefits of the energy management system (EMS) implementation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Thermal energy storage apparatus, controllers and thermal energy storage control methods

Thermal energy storage apparatus, controllers and thermal energy storage control methods are described. According to one aspect, a thermal energy storage apparatus controller includes processing circuitry configured to access first information which is indicative of surpluses and deficiencies of electrical energy upon an electrical power system at a plurality of moments in time, access second information which is indicative of temperature of a thermal energy storage medium at a plurality of moments in time, and use the first and second information to control an amount of electrical energy which is utilized by a heating element to heat the thermal energy storage medium at a plurality of moments in time.

Hammerstrom, Donald J.↗
DOE OSTI2024

Enhancing Building Energy Efficiency through Advanced Sizing and Dispatch Methods for Energy Storage

Energy storage and electrification of buildings hold great potential for future decarbonization. However, there are several technical and economic barriers that prevent large-scale adoption and integration of energy storage in buildings. These barriers include integration with building control systems, high capital costs, and the necessity to identify and quantify value streams for different stakeholders. To overcome these obstacles, it is crucial to develop advanced sizing and dispatch methods to assist planning and operational decision-making for integrating energy storage in buildings. This work develops simple and flexible optimal sizing and dispatch framework for thermal energy storage (TES) and battery energy storage (BES) systems in large-scale office building. The optimal sizes of TES, BES, as well as other building assets are determined in a joint manner instead of sequentially to avoid sub-optimal solutions. The interaction between the sizing at the planning stage and hourly or sub-hourly dispatch at the operating stage is explicitly modeled. The solution is determined considering both capital costs in optimal sizing and operational benefits in optimal dispatch. Comprehensive assessments are performed using simulation studies to quantify potential energy, economic, and emission benefits by different utility tariffs and climate locations, to improve our understanding of the techno-economic performance of different TES and BES systems, and to identify barriers for adopting energy storage for buildings. Finally, the proposed framework will provide guidance to a broad range of stakeholders to properly design energy storage in buildings and maximizes potential benefits, thereby advancing affordable building energy storage deployment and helping us accelerating the transition towards a cleaner and more equitable energy economy.

Yu, Mingyung↗
DOE OSTI2022

Assessment of four strain energy decomposition methods for phase field fracture models using quasi-static and dynamic benchmark cases

Abstract Strain energy decomposition methods in phase field fracture models separate strain energy that contributes to fracture from that which does not. However, various decomposition methods have been proposed in the literature, and it can be difficult to determine an appropriate method for a given problem. The goal of this work is to facilitate the choice of strain decomposition method by assessing the performance of three existing methods (spectral decomposition of the stress or the strain and deviatoric decomposition of the strain) and one new method (deviatoric decomposition of the stress) with several benchmark problems. In each benchmark problem, we compare the performance of the four methods using both qualitative and quantitative metrics. In the first benchmark, we compare the predicted mechanical behavior of cracked material. We then use four quasi-static benchmark cases: a single edge notched tension test, a single edge notched shear test, a three-point bending test, and a L-shaped panel test. Finally, we use two dynamic benchmark cases: a dynamic tensile fracture test and a dynamic shear fracture test. All four methods perform well in tension, the two spectral methods perform better in compression and with mixed mode (though the stress spectral method performs the best), and all the methods show minor issues in at least one of the shear cases. In general, whether the strain or the stress is decomposed does not have a significant impact on the predicted behavior.

Zhang, Shuaifang↗
DOE OSTI2026

Validating and Comparing Energy Estimation Methods at Water Resource Recovery Facilities

Water resource recovery facilities play a crucial role in the water-energy nexus, consuming a substantial amount of energy in the United States. Growing treatment volumes and more stringent water quality standards are expected to increase the amount of energy needed to treat wastewater, but accurately estimating energy consumption and potential remains challenging due to variability in scale, treatment methods, and effluent treatment standards. In this study, we used publicly available data to evaluate the accuracy of methods for estimating energy consumption and generation, then quantified uncertainty based on key factors like flow rate, treatment level, and geographic location. To validate methods, we estimated energy consumption and generation at the facility-level, then compared estimates to self-reported data from utilities in major U.S. cities. We found that process models of treatment trains under best practice configurations were accurate relative to other methods for estimating electricity use, total energy use, and electricity generation from biogas utilization, and less complex methods based on effluent treatment level and prime movers also performed well for estimating electricity consumption and generation, respectively. Applying the evaluated methods to a national inventory of treatment facilities, we estimate that annual energy consumption ranged from 56.3 x 10^3 to 82.5 x 10^3 TJ in 2012 and 83.6 x 10^3 to 127 x 10^3 TJ in 2042. Our results indicate that not all estimation methods are suited for every use case, so we recommend that researchers and practitioners select an estimation method based on data availability and desired computational intensity.

Hodson, Abigayle↗
DOE OSTI2022

System and method thermopile energy harvesting for subsurface well bore sensors

A system and method for powering a borehole sensor with thermal energy is disclosed. The system includes a tubular pipe inserted into a subsurface borehole. A borehole casing is coaxially disposed with the tubular pipe. An annular space between the casing and the tubular pipe has a power source placed in the borehole to power a sensor in response to a temperature gradient between a surface of the casing and a surface of the tubular pipe. The method includes attaching thermopiles on the borehole casing or tubing; placing the thermopile in the annulus between the casing and the tubing; inducing a thermal gradient across the thermopile; generating an electrical energy in response to the temperature gradient; powering the sensor from the generated energy; and monitoring vertical expansion of a CO2 plume.

Bryan, Charles R.↗
DOE OSTI2020

Chapter 17: Residential Behavior Evaluation Protocol. The Uniform Methods Project: Methods for Determining Energy Efficiency Savings for Specific Measures, September 2011 - August 2020

This document has been updated in August 2020. This document was developed for the U.S. Department of Energy Uniform Methods Project (UMP). The UMP provides model protocols for determining energy and demand savings that result from specific energy-efficiency measures implemented through state and utility programs. In most cases, the measure protocols are based on a particular option identified by the International Performance Verification and Measurement Protocol; however, this work provides a more detailed approach to implementing that option. Each chapter is written by technical experts in collaboration with their peers, reviewed by industry experts, and subject to public review and comment. The protocols are updated on an as-needed basis. The UMP protocols can be used by utilities, program administrators, public utility commissions,evaluators, and other stakeholders for both program planning and evaluation. To learn more about the UMP, visit the website, https://energy.gov/eere/about-us/ump-home, or download the UMP introduction document at http://www.nrel.gov/docs/fy17osti/68557.pdf.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

A Novel Method for Setting Meaningful Thresholds for RMS-Energy Oscillation Detectors

Oscillation detection and mitigation is a crucial aspect of reliable power system operation. Several transmission system operators and reliability coordinators use the RMS-energy method of oscillation detection, but the process of setting thresholds is time and labor intensive. The current industry practice in the United States is to set thresholds based on the RMS-energy's value during ambient conditions, which can often lead to nuisance alarms that require thresholds to be manually retuned. In this paper, we propose a method for setting RMS-energy thresholds that directly accounts for oscillation amplitudes specified by the user. A theoretical analysis of the statistical properties of the RMS-energy incorporates these user-specified amplitudes, resulting in thresholds that reliably detect oscillations of interest while avoiding nuisance alarms. Theoretical results are validated with simulated measurements and the real-world practicality of the method is established with publicly available field-measured data from the Grid Event Signature Library.

Follum, James D.↗
DOE OSTI2020

Zinc-iodine secondary energy storage methods, devices, and electrolytes

Disclosed are cathodes having electron-conductive high-surface-area materials, aqueous non-halide-containing electrolytes, secondary zinc-iodine energy storage devices using the same, and methods for assembling the same. The disclosed high-surface-area materials and the aqueous non-halide-containing electrolyte solutions can contribute together to the confinement of the active iodine species in the cathode and to the minimization of shuttle effects and self-discharging. The non-halide-containing electrolyte salts can facilitate preferential adsorption of the iodine species to the cathode material rather than dissolution in the aqueous electrolyte solution, thereby contributing to the confinement of the active iodine species.

25 ENERGY STORAGE↗
DOE OSTI2024

Systems and methods for geothermal energy storage

A method and system may be used for storing energy in a geothermal system and recovering both the stored energy as well as thermal energy on demand. The geothermal system may include injection and production wells that are hydraulically coupled in a geothermal energy reservoir that behaves as a confined reservoir system with thermal energy transferring to fluid injected into the injection well and removed via the production well. Injection flow rate, injection pressure, production flow rate, production backpressure, or fluid residence time may be managed to control energy consumption or energy generation profiles of the geothermal system. During an energy storage mode, the injection flow rate exceeds the production flow rate thereby storing energy in the geothermal reservoir. During an energy recovery mode, production backpressure is reduced thereby releasing the stored energy and electricity is generated by removing the thermal energy from the fluid in a heat engine.

Norbeck, Jack↗
DOE OSTI2021

Multi-fluid renewable geo-energy systems and methods

A geo-energy production system and method extracts thermal energy from a reservoir formation, and stores either thermal waste heat or excess heat in a storage zone of the reservoir formation. A compressed fluid injection injects an unheated, compressed working fluid into the storage zone. A fluid injection well injects a working fluid laden with thermal waste heat or excess heat into the storage zone. The storage zone is located below a caprock layer and above a native brine zone of the reservoir formation and is partially circumscribed by a hot brine storage zone. The compressed working fluid assists with a withdrawal of pressurized brine residing below and/or to the sides of the storage zone. A compressed CO2, N2, or air production well helps to remove compressed working fluid from the storage zone for use in power production.

Buscheck, Thomas A.↗
DOE OSTI2022

An extrapolation method for strain ranges and hold times in developing the EPP+SMT creep-fatigue design curves for Alloy 617

Experimental and numerical studies in developing the integrated Elastic–Perfectly Plastic (EPP) plus Simplified Model Test (SMT) design methodology, referred to as the EPP+SMT method, continued in FY2022. This report focuses on the methods for extrapolating the EPP+SMT creep-fatigue (CF) design curves at long hold times and low strain ranges. In this study, the available CF failure data on Alloy 617 at 950°C were analyzed to determine a set of CF failure criteria. At very low strain ranges and long hold times, CF failure data are not accessible by experiments because of the extraordinarily long test durations and the inability of the test machines to accurately control these small strain ranges. A CF experimental approach with the concept of block-strain range CF testing protocol was developed. Tests using this protocol were conducted to generate the needed information for calibrating material parameters of the numerical material models. The Time Fraction based method and Dissipated Energy method were used to extrapolate the CF life curves to low strain ranges and long hold times. Based on the new experimental approach and CF life prediction methods, the CF life curves with various hold times were developed for Alloy 617 at 950°C. In addition, an experiment was designed and is being performed to verify the predicted CF curves at 950°C. The extrapolation procedure will be applied at lower temperatures to complete the development of the EPP+SMT CF design curves for Alloy 617 in F2023.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Holistic energy analysis method for thermal management architectures of data centers

Modern high-performance computing (HPC) data centers (DCs), particularly those supporting energy-intensive artificial intelligence (AI) workloads, face escalating thermal management challenges that degrade performance through thermal throttling and drive up cooling power consumption and operational costs. To address this challenge, many have developed a wide variety of thermal management solutions (single-phase, two-phase, direct, indirect, hybrid, and more) which attempt to cool HPC DCs effectively while attempting to minimize overall system power consumption. However, the analysis of these solutions and methods to effectively compare one with another is lacking. Overall power usage effectiveness (PUE) and total-power usage effectiveness (TUE) provide a metric to quantify power consumption but fail to identify components in the system which require further optimization. To address this, we propose a holistic analytical framework – the waterfall diagram (WFD) – which leverages a waterfall chart methodology, offering a comprehensive visualization of both the thermal management system loop and heat flow pathways from individual server components to the outdoor ambient. Use of the WFD enables graphical estimations of power efficiency and cooling performance across each component of a DC cooling system and complements Sankey-style energy flow visualizations by additionally resolving stage-wise temperature changes and incremental TUE contributions. The framework is used in conjunction with simulation-based approaches, to conduct a detailed pressure drop and flow distribution analysis aimed at identifying the optimal coolant distribution architecture for a single-phase direct-to-chip water-cooled DC, which serves as the baseline for subsequent WFD analysis. Among the evaluated architectures, the 3 U modular coolant distribution architecture is found to demonstrate the best performance, considering minimal pressure drop and uniform flow distribution. In addition, TUE is calculated for each cooling loop component based on its associated pressure drop and corresponding pumping power, which are integrated into the WFD. This correlation between TUE and local temperature offers immediate insight into the power efficiency and thermal performance contributions of individual components, facilitating further development and optimization. Examples of WFD applications are presented under varying thermal loads and ambient conditions, demonstrating reasonable cooling strategies. Notably, the 3 U modular architecture maintains a consistent chip case temperature of 85°C, achieving a TUE of 1.016 at ambient temperature of 47°C, and a TUE of 1.026 at ambient temperature of 52°C. The WFD methodology provides an efficient, holistic, and streamlined framework for DC thermal management architecture assessment and enables design optimization which is important for addressing the thermal-fluidic energy challenges of current and next-generation DCs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗