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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Machine Learning Software for Cylindrical Battery Design and Performance Prediction

A software that delivers optimal design parameters and performance predictions for cylindrical cells, which can range in size from micro batteries to EV batteries, is developed. The Cylindrical battery design V1.0 is comprised of three types of cylindrical batteries, Micro battery (Primary), Micro battery (Secondary) and 18650/21700/xxxxx cylindrical battery. The software was developed in MATLAB. The software has the capability to output the cell design with the capacity ranges from several mAh to several million Ah. The software utilizes machine learning and includes a graphical user interface to enable rapid prototyping to accelerate energy storage research, development, and manufacturing.

25 ENERGY STORAGE↗

DOE OSTI2020

Gel‐Derived Amorphous Bismuth–Nickel Alloy Promotes Electrocatalytic Nitrogen Fixation via Optimizing Nitrogen Adsorption and Activation

Abstract To achieve the electrochemical nitrogen reduction reaction (NRR) for efficient and sustainable NH 3 production, catalysts should exhibit high selectivity and activity with optimal adsorption energy. Herein we developed a three‐dimensional (3D) amorphous BiNi alloy toward a significantly enhanced NRR compared with its crystalline and metal counterparts. Ni alloying enables the chemisorption of nitrogen and the lower free‐energy change for the *NNH formation, and the 3D alloy electrocatalyst exhibits high catalytic activity for NH 3 production with a yield rate of 17.5 μg h −1 mg cat −1 and Faradaic efficiency of 13.8 %. The enhanced electron transfer and increased electrochemical surface area were revealed in the interconnected porous scaffold, affording it sufficiently efficient and stable activity for potential practical applications. This work offers new insights into optimizing the adsorption energy of reactants and intermediates combined with tuning the crystallinity of NRR electrocatalysts.

Fang, Zhiwei↗

DOE OSTI2023

Mixed quantum/classical theory for rotational energy exchange in symmetric-top-rotor + linear-rotor collisions and a case study of the ND 3 + D 2 system

The extension of mixed quantum/classical theory (MQCT) to describe collisional energy transfer is developed for a symmetric-top-rotor + linear-rotor system and is applied to ND 3 + D 2 . State-to-state transition cross sections are computed in a broad energy range for all possible processes: when both ND 3 and D 2 molecules are excited or both are quenched, when one is excited while the other is quenched and vice versa, when the ND 3 state changes its parity while D 2 is excited or quenched, and when ND 3 is excited or quenched while D 2 remains in the same state, ground or excited. In all these processes the results of MQCT are found to approximately satisfy the principle of microscopic reversibility. For a set of sixteen state-to-state transitions available from the literature for a collision energy of 800 cm –1 the values of cross sections predicted by MQCT are within 8% of accurate full-quantum results. A useful time-dependent insight is obtained by monitoring the evolution of state populations along MQCT trajectories. It is shown that, if before the collision, D 2 is in its ground state, the excitation of ND 3 rotational states proceeds through a two-step mechanism in which the kinetic energy of molecule–molecule collision is first used to excite D 2 and only then is transferred to the excited rotational states of ND 3 . Finally, it is found that both potential coupling and Coriolis coupling play important roles in ND 3 + D 2 collisions.

inelastic cross-sections↗

DOE OSTI2024

Intercalation of quaternary ammonium cations as a key factor of electron storage in MoS2 thin films

Electrochemical intercalation of cations within two-dimensional transition metal dichalcogenides presents a promising route for tailoring their optoelectronic properties. We have now succeeded in modulating the optical properties of MoS2 thin films through electrochemical intercalation of quaternary ammonium cations. The spectroelectrochemical experiments conducted with varying sizes of the intercalant revealed the size-dependent stability of the intercalated MoS2 nanosheets. The observed absorption change of the exciton bands is reversible and arises from the storage of electrons in MoS2 nanosheets and the subsequent weakening of interlayer van der Waals interactions following cation intercalation. This structural change is evidenced by the emergence of A*1g out-of-plane Raman mode. Additionally, the photoelectron spectroscopy reveals the emergence of a lower binding energy component of Mo 3d and the shift in Fermi level to higher energies, confirming the presence of stored electrons in cation intercalated-MoS2. The underlying mechanism of intercalation-induced property modifications in MoS2 discussed in the present study is useful in developing strategies for energy conversion devices.

Physics↗

NASA NTRS2004

Integrated Solar-Energy-Harvesting and -Storage Device

A modular, integrated, completely solid-state system designed to harvest and store solar energy is under development. Called the power tile, the hybrid device consists of a photovoltaic cell, a battery, a thermoelectric device, and a charge-control circuit that are heterogeneously integrated to maximize specific energy capacity and efficiency. Power tiles could be used in a variety of space and terrestrial environments and would be designed to function with maximum efficiency in the presence of anticipated temperatures, temperature gradients, and cycles of sunlight and shadow. Because they are modular in nature, one could use a single power tile or could construct an array of as many tiles as needed. If multiple tiles are used in an array, the distributed and redundant nature of the charge control and distribution hardware provides an extremely fault-tolerant system. The figure presents a schematic view of the device.

whitacre, Jay↗

NASA NTRS2015

Standardized Modular Power Interfaces for Future Space Explorations Missions

Earlier studies show that future human explorations missions are composed of multi-vehicle assemblies with interconnected electric power systems. Some vehicles are often intended to serve as flexible multi-purpose or multi-mission platforms. This drives the need for power architectures that can be reconfigured to support this level of flexibility. Power system developmental costs can be reduced, program wide, by utilizing a common set of modular building blocks. Further, there are mission operational and logistics cost benefits of using a common set of modular spares. These benefits are the goals of the Advanced Exploration Systems (AES) Modular Power System (AMPS) project. A common set of modular blocks requires a substantial level of standardization in terms of the Electrical, Data System, and Mechanical interfaces. The AMPS project is developing a set of proposed interface standards that will provide useful guidance for modular hardware developers but not needlessly constrain technology options, or limit future growth in capability. In 2015 the AMPS project focused on standardizing the interfaces between the elements of spacecraft power distribution and energy storage. The development of the modular power standard starts with establishing mission assumptions and ground rules to define design application space. The standards are defined in terms of AMPS objectives including Commonality, Reliability-Availability, Flexibility-Configurability and Supportability-Reusability. The proposed standards are aimed at assembly and sub-assembly level building blocks. AMPS plans to adopt existing standards for spacecraft command and data, software, network interfaces, and electrical power interfaces where applicable. Other standards including structural encapsulation, heat transfer, and fluid transfer, are governed by launch and spacecraft environments and bound by practical limitations of weight and volume. Developing these mechanical interface standards is more difficult but an essential part of defining physical building blocks of modular power. This presentation describes the AMPS projects progress towards standardized modular power interfaces.

Spacecraft Power↗

DOE OSTI2020

Rational Designed Mixed-Conductive Sulfur Cathodes for All-Solid-State Lithium Batteries

All-solid-state lithium–sulfur batteries (ASSLSBs) hold great promise for safe and high-energy-density energy storage. However, developing high-performance sulfur cathodes has been proven difficult due to low electronic and ionic conductivities and large volume change of sulfur during charge and discharge. Here, we reported an approach to synthesize sulfur cathodes with a mixed electronic and ionic conductivity by infiltrating a solution consisting of Li 3 PS 4 (LPS) solid electrolyte and S active material into a mesoporous carbon (CMK-3). This approach leads to a uniform dispersion of amorphous Li 3 PS 7 (L 3 PS) catholyte in an electronically conductive carbon matrix, enabling high and balanced electronic/ionic conductivities in the cathode composite. The inherent porous structure of CMK-3 also helps to accommodate the strain/stress generated during the expansion and shrinkage of the active material. In sulfide-based all-solid-state batteries with Li metal as the anode, this cathode composite delivered a high capacity of 1025 mAh g –1 after 50 cycles at 60 °C at 1/8C. This work highlights the important role of high and balanced electronic and ionic conductivities in developing high-performance sulfur cathodes for ASSLSBs.

25 ENERGY STORAGE↗

NASA NTRS2003

An Array of Frequency Selective Bolometers (FSB) for the Spectral Energy Distribution (SPEED) Camera

The SPEED camera is being developed to study the spectral energy distributions of high redshift galaxies using the Heinrich Hertz Telescope (HHT) in Arizona. SPEED requires a small cryogenic detector array of 2x2 pixels with each pixel having four frequency bands in the 150-350 GHz range. Here we describe the development of the detector array of these high efficiency FSBs. The FSB design provides the multi-pixel multi-spectral band capability required for SPEED in a compact stackable array. The SPEED bolometers will use proximity effect superconducting transition edge sensors as their temperature-sensing element allowing for higher levels of multiplexing in future applications.

Silverberg, R. F.↗

DOE OSTI2020

Development of Transition-Edge Sensor X-ray Microcalorimeter Linear Array for Compton Scattering and Energy Dispersive Diffraction Imaging

In this paper we present a strip transition-edge sensor microcalorimeter linear array detector developed for energy dispersive X-ray diffraction imaging and Compton scattering applications. The prototype detector is an array of 20 transition-edge sensors with absorbers in strip geometry arranged in a linear array. We discuss the fabrication steps needed to develop this array including Mo/Cu bilayer, Au electroplating, and proofof-principle fabrication of long strips of SiNx membranes. We demonstrate minimal unwanted effect of strip geometry on X-ray pulse response and showlinear relationship of 1/pulse height and pulse decay times with absorber length. For the absorber lengths studied, our preliminary measurements show energy resolutions of 40-180eV near 17 keV. Furthermore, we show that the heat flow to the cold bath is nearly independent of the absorber area and depends on the SiNx membrane geometry.

47 OTHER INSTRUMENTATION↗

DOE OSTI2026

The Primary Interaction Compton Couple algorithm for sorting GRETINA/GRETA interaction points

The Primary Interaction Compton Couple (PICC) algorithm is presented in this work. The algorithm is used to determine the first-interaction-point position for $γ$-ray events in GRETINA. The first-interaction-point position is crucial for in-beam $γ$-ray spectroscopy experiments with fast beams due to the effect of Doppler broadening on the in-beam energy resolution. The development of the algorithm and its performance compared to a tracking algorithm and the Main Interaction assumption is presented. The PICC algorithm is demonstrated with real data to outperform the $γ$-ray energy tracking algorithm used for comparison here and the Main Interaction assumption in first-interaction-point determinations.

GRETINA↗

DOE OSTI2026

Proposed Algorithm for Placement and Sizing of Generation and Storage Stations in Urban Environments

The placement of generation and storage stations (GSSs) in distribution grids has been extensively investigated. Most traditional methods are applicable to rural or homogeneous environments and do not account for external restrictions on generation placement in urban or semi-urban environments. In this article, we propose a method for generation placement considering externality constraints. New utility-scale generation in distribution grids potentially occupies footprint and interferes in areas with existing infrastructure with architectural, historical, or touristic value. Urban environments are often regulated by municipal legislation. The placement of utility-scale generation in urban landscapes is economically and physically restricted by such externalities, and existing methods for generation placement in distribution grids based on technical optimization fail to account for this important nuance. The proposed algorithm flexibly adapts to changes in government energy policies and priorities. The selection of the type of generation suitable for the power grid is left to the preference of external high-level stakeholders, such as urban planners, industry development leaders, and energy policymakers. The proposed algorithm is a unique tool for determining the placement and sizing of generation in realistic conditions in distribution grids; it is adaptable to urban externalities and sensitive to stakeholder preferences.

generation and storage station placement↗

NASA NTRS1974

A city invests in its future

Events occurring during the past four years which led to the City of Burbank's decision to acquire an energy source adequate for the city's present and future power requirements are discussed. The community reaction to this unprecedented move is also covered. Burbank's long-range plans for the development of geothermal energy are outlined as well as the challenges which confront a public utility in implementing its projected goals. There are several advantages accurring to the city which in the opinion of the Burbank City Council and the administration justify this venture. The need for a cooperative climate which will enable all electrical utilities to better meet their obligations to the public, which is their prime responsibility before all other considerations, is analyzed.

Baker, J. N.↗

DOE OSTI2024

Multi-functional Sorbent Technology (MUST) for the Recovery/Removal of Critical/Heavy Metals from Fossil-Related Wastewater

A collection of remediation and recovery technologies like those predicated on photocatalytic-, electric-, chemical-, membrane-, and adsorptive-based processes currently exists in different stages of development or deployment between these methods of water management. Among these technologies, solid sorbent processes embody an optimal balance between cost-effectiveness, environmental friendliness, and technological maturity. The U.S. Department of Energy’s National Energy Technology Laboratory developed a suit of cross-linked, functionalized silica sorbents tailored to eliminate the most toxic metals regulated by the U.S. Environmental Protection Agency (EPA); critical metals identified by the U.S. Geological Survey (USGS); and harmful organics like the infamous perfluoroalkyl and polyfluoroalkyl substances (PFAS). An array of laboratory and field tests proved that the MUST sorbents removed ppb-level lead from drinking water, selenium from FGD wastewater below EPA limits, aqueous dyes and PFAS; and fractionated low ppm-level critical metals (CM) from AMD and simulated produced water. Proof-of-concept for commercial CM recovery was verified through obtaining milligram-quantities of purified Al solids from a sorbent multi-bed AMD field-site test. Commercial efficacy was further supported by achieving purified fractions of adsorbed Mn upon treating both the AMD and synthetic produced water with the laboratory multi-bed test unit.

Wilfong, Walter C.↗

DOE OSTI2020

The Gulf Nuclear Energy Infrastructure Institute: A Multidisciplinary Educational Approach for Integrated Nuclear Energy Safety Security and Safeguards in the Middle East

The Gulf Nuclear Energy Infrastructure Institute (GNEII) at Khalifa University of Science and Technology was created as a regional institute offering education, research and technical services to support nuclear energy safety, security and safeguards (3S) objectives. A mixed methods approach—using the (1) Course Evaluation, (2) GNEH Alumni Survey, (3) Capstone Project and, (4) GNEII-Related Literature data sets—was used to evaluate the effect of implementing this multidisciplinary `3S' educational program and the broader impact of the associated `3S' multidisciplinary institute on nuclear energy human resource development. Data sets (1), (2) and (3) illustrate how well GNEII implemented this novel 3S curriculum and resulted in successful knowledge transfer. Data sets (2), (3) and (4) illustrate how well GNEII's impact has positively influenced professional workplace behaviors and the institute's broader reputation to support responsible nuclear energy program education. Furthermore, GNEII demonstrates one option for successfully providing a multidisciplinary, 3S curriculum to support broader nuclear infrastructure and human resource development aims.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Batteries 2022 Annual Progress Report

This document summarizes the progress of VTO battery R&D projects supported during the fiscal year 2022. Its R&D focus was on the development of high-energy batteries for PEVs. The electrochemical energy storage roadmap describes ongoing and planned efforts to develop electrochemical storage technologies for EVs. To advance battery technology, which can in turn improve market penetration of PEVs, the program investigates various battery chemistries to overcome specific technical barriers, e.g., battery cost, performance, life (both the calendar life and the cycle life), its tolerance to abusive conditions, and its recyclability/sustainability.

25 ENERGY STORAGE↗

DOE OSTI2024

Batteries (2023 Annual Progress Report)

This document summarizes the progress of VTO battery R&D projects supported during the fiscal year 2023. Its R&D focus was on the development of high-energy batteries for PEVs. The electrochemical energy storage roadmap describes ongoing and planned efforts to develop electrochemical storage technologies for EVs. To advance battery technology, which can in turn improve market penetration of PEVs, the program investigates various battery chemistries to overcome specific technical barriers, e.g., battery cost, performance, life (both the calendar life and the cycle life), its tolerance to abusive conditions, and its recyclability/sustainability.

25 ENERGY STORAGE↗

DOE OSTI2020

Gel-Derived Amorphous Bismuth–Nickel Alloy Promotes Electrocatalytic Nitrogen Fixation via Optimizing Nitrogen Adsorption and Activation

To achieve the electrochemical nitrogen reduction reaction (NRR) for efficient and sustainable NH 3 production, catalysts should exhibit high selectivity and activity with optimal adsorption energy. Herein we developed a three-dimensional (3D) amorphous BiNi alloy toward a significantly enhanced NRR compared with its crystalline and metal counterparts. Ni alloying enables the chemisorption of nitrogen and the lower fre-energy change for the *NNH formation, and the 3D alloy electrocatalyst exhibits high catalytic activity for NH 3 production with a yield rate of 17.5 μg h -1 mg cat -1 and Faradaic efficiency of 13.8 %. The enhanced electron transfer and increased electrochemical surface area were revealed in the interconnected porous scaffold, affording it sufficiently efficient and stable activity for potential practical applications. Furthermore, this work offers new insights into optimizing the adsorption energy of reactants and intermediates combined with tuning the crystallinity of NRR electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Data-Driven Analysis Tool Plays Critical Role in Climate Neutral Buildings: Improving energy efficiency and reducing emissions

A new web application that advances the science of data-driven, remote building energy analysis to increase the speed and scale of retrofits worldwide could play a key role in reducing greenhouse gas (GHG) emissions and meeting the Paris Agreement's targets. Here, the multi-award-winning Building Efficiency Targeting Tool for Energy Retrofits (BETTER) is a public access web application (better.lbl.gov) sponsored by the U.S. Department of Energy (DOE) and developed by Lawrence Berkeley National Laboratory (Berkeley Lab) and Johnson Controls.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗