Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “energy efficient materials”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Pb dimerization greatly accelerates charge losses in MAPbI 3 : Time-domain ab initio analysis

Metal halide perovskites constitute a new type of semiconducting materials with long charge carrier lifetimes and efficient light-harvesting. The performance of perovskite solar cells and related devices is limited by nonradiative charge and energy losses, facilitated by defects. Combining nonadiabatic molecular dynamics and time-domain density functional theory, we demonstrate that charge losses depend strongly on the defect chemical state. By considering an extra Pb atom in CH 3 NH 3 PbI 3 , which is a common defect in lead halide perovskites, we investigate its influence on charge trapping and recombination. In a chemically inert form as a Pb interstitial, the extra Pb atom has only a mild influence on charge recombination. However, if the extra Pb atom binds to a native Pb atom to form a dimer, the charge trapping and recombination are greatly accelerated because the Pb-dimer creates a localized midgap trap state that couples strongly to the perovskite valence band edge. Holes disappear from the valence band two orders of magnitude faster than in the pristine perovskite and recombine with conduction band electrons one order of magnitude faster. The simulations identify the phonon modes involved in the nonradiative charge trapping and recombination and highlight the importance of rapid decoherence within the electronic subsystem for long carrier lifetimes. The detailed atomistic analysis of the charge trapping and recombination mechanisms enriches the understanding of defect properties and provides theoretical guidance for improving perovskite performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Multiple Carrier Generation at an Exceptionally Low Energy Threshold

Multiple carrier generation (MCG), a process wherein two or more carriers are generated from a single high-energy absorbed photon, holds immense promise for quantum sensing, metrology, low-threshold lasers, and photovoltaics. Despite its potential, MCG has faced obstacles such as low efficiency and a high threshold photon energy at least twice the band gap (2?Eg) of the semiconductor, limiting its application only to a class of materials with low Eg. Here, we present a new approach that overcomes this limitation by leveraging carrier-donor scattering to excite secondary electrons from donor states strategically positioned below the conduction band. Our method relies on strong Coulomb interaction, reduced dielectric screening, slow hot carrier cooling, and strictly follows the energy conservation rules. We experimentally demonstrated this idea in a model system of monolayer (1L) MoS2 by exploiting electron-donating chalcogen vacancy states. We observed an exceptionally low MCG threshold of ~1.12?Eg for the first time in 1L MoS2. Remarkably, the quantum yield can be further increased to >3 by increasing the photon energy to 1.65?Eg, representing a substantial advancement over existing methods. Our findings extend the horizon of MCG into next-generation high-performance optoelectronic devices with an on-demand operating spectral range spanning from infrared to ultraviolet.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
DOE OSTI2023

Regulating Gas Transport in Molecularly Engineered Polymer Membranes (Final Technical Report)

Energy-efficient separation processes are essential for a wide range of applications ranging from clean fuels (e.g., hydrogen purification) and petroleum refining (e.g., natural gas processing) to water purification and carbon capture. Membrane-mediated separations have shown tremendous promise in providing high productivity and high separation efficiency at significantly lower energy consumption, e.g., up to 90% less energy cost than traditional thermally driven processes such as distillation. Polymeric membranes–the dominant separation membrane materials–have yet to reach their full potential due to their limitations in long-term durability (e.g., productivity loss over the period of their lifetime due to physical aging) or insufficient stability under harsh conditions (e.g., high temperature, chemically complex feeds). This research seeks to establish a new paradigm in polymer membrane material design by harnessing crosslinked model networks with well-defined yet finely tailorable microstructure to facilitate fast and selective gas transport and simultaneously enhance membrane stability. Unlike traditional randomly crosslinked polymers, which suffer from structural inconsistencies and consequently suboptimal gas separation performance, crosslinked model network membranes prepared via a precisely controlled end-linking process enables the creation of previously unattainable microstructure tunability, which, in turn, results in versatile crosslinked membranes with high separation performance that meet the needs of various challenging gas separations. Using model network framework as a fundamental tool by applying this concept in diverse polymer categories, this work has led to the development of various innovative crosslinked membrane structures such as unimodal, bimodal and clustered model networks. These advanced crosslinked polymer membranes not only demonstrate exceptional gas separation performance that significantly outperform existing randomly crosslinked membranes, but also possess excellent long-term durability and robust stability under complex operating conditions. From a fundamental perspective, results from this research provide critical mechanistic insights into gas separation in crosslinked polymer membranes, addressing key knowledge gaps and opening new avenues for membrane design to meet various separation needs. The new membrane materials produced from this research enable the use of polymeric membranes for high temperature gas separations, offering substantial energy and cost savings by eliminating the need for repeated cooling-heating cycles in industrial processes.

02 PETROLEUM↗
DOE OSTI2022

Triple-Junction III-V Solar Cells with 39.5% AM1.5G and 34.2% AM0 Efficiencies

III-V multijunction solar cells have the highest efficiencies of any PV technology. These devices are currently the dominant space PV technology, and are being investigated for a wide range of other applications where efficiency is a key metric. In this presentation, we describe a 3-junction cell with the highest 1-sun efficiency to date: 39.5% under the global spectrum, which is higher than previous 6-junction devices. When tuned for the space spectrum, the cell achieves 34.2% beginning-of-life efficiency, without consideration for radiation hardness. These efficiency improvements are enabled by combining advances in device architectures and extended-defect control strategies. This latest 3-junction device includes a high-performance front-junction GaInP top cell, an optically-thick strain-balanced quantum well middle cell, and a lattice-mismatched GaInAs bottom cell with record performance despite dislocations. These advances not only allow high efficiency photovoltaics for both space and terrestrial PV applications, but also help enable new applications of III-V materials.

GaInAs↗
DOE OSTI2023

Key Strategies in Industry for Circular Economy : Analysis of Remanufacturing and Beneficial Reuse

Manufacturing, in the effort to be more sustainable, is increasingly focusing on energy efficiency and waste reduction. DOE’s Better Buildings Better Plants Program has a Waste Reduction Network that works with 32 industrial partners to achieve higher material efficiency and reduce waste. United States generates 7.6 Billion Tons of industrial solid waste as estimated by EPA. In a linear economy as the economy grows, so does the waste – increasing strain on resources and the environment. The Circular Economy (CE) model keeps the available resources in circulation for longer period of time easing the burden on the environment. Remanufacturing and (Beneficial) re-use are widely accepted channels in 9R methodology and established pillars of CE. This paper reviews the two key strategies and their adoption in different industrial sectors. It reviews the key barriers faced by manufacturers in implementing these methodologies and discusses the possible solutions to those barriers. The paper also reviews impact of these CE strategies on sustainability, material efficiency and the economic and social benefits. Finally, this paper presents two case studies from DOE’s Better Plants partners – one on remanufacturing of components in heavy vehicles industry and one on beneficial reuse of spent foundry sand, a non-hazardous solid waste, and discusses the project impacts.

Chaudhari, Subodh↗
DOE OSTI2023

Experimental Investigation of a Phase Change Material Charged Serpentine Heat Exchanger with Louvered Fins

Phase change material heat exchangers (PCM-HX) can be used as a latent heat thermal energy storage (LHTES) component in heat pump applications to further enhance the efficiency of a heat pump as well as to yield financial savings by peak-load shifting. In this paper, a low-cost commercially available aluminum serpentine heat exchanger with louvered fins was experimentally investigated to check its thermal performance as a PCM-HX. A transparent rectangular box fabricated from acrylic plates served as a PCM container. Two cameras were used to capture the phase change process of the PCM on the front and top sides of the container during the experiment. A total of 88 installed temperature sensors throughout the test setup and a mass flow meter enabled a quantitative analysis of the PCM-HX as well. The energy balance deviation between the estimated theoretical and experimentally calculated PCM storage was ±14% considering the often-neglected heat loss and thermal mass of the PCM-HX. PCM temperature profiles, charge and discharge rates, and energy densities under different test conditions were also investigated.

42 ENGINEERING↗
DOE OSTI2023

Porosity as a Design Element for Developing Catalytic Molecular Materials for Electrochemical and Photochemical Carbon Dioxide Reduction

The catalytic reduction of carbon dioxide (CO 2 ) using sustainable energy inputs is a promising strategy for upcycling of atmospheric carbon into value-added chemical products. This goal has inspired the development of catalysts for selective and efficient CO 2 conversion using electrochemical and photochemical methods. Among the diverse array of catalyst systems designed for this purpose, two- and three-dimensional platforms that feature porosity offer the potential to combine carbon capture and conversion. Included are covalent organic frameworks (COFs), metal-organic frameworks (MOFs), porous molecular cages, and other hybrid molecular materials developed to increase active site exposure, stability, and water compatibility while maintaining precise molecular tunability. This mini-review showcases catalysts for the CO 2 reduction reaction (CO 2 RR) that incorporate well-defined molecular elements integrated into porous materials structures. Selected examples provide insights into how different approaches to this overall design strategy can augment their electrocatalytic and/or photocatalytic CO 2 reduction activity. This article is protected by copyright. All rights reserved.

36 MATERIALS SCIENCE↗
DOE OSTI2025

MetaHeuristic Feature Selection for Energy Group Optimization and Analysis

Energy discretization is a crucial component of deterministic neutron transport simulations. Metaheuristic (MH) optimizers are effective algorithms to determine group structures that maximize both solution accuracy and computational efficiency. This project establishes a framework for optimizing group structures for PARTISN simulations using the Python library MEALPY. Group structure optimization is formulated as a binary feature selection problem, and results are investigated with permutation and material importance techniques to determine physically relevant energy bounds. We conclude that MH optimizers find group structures that drastically improve flux calculations while preserving k-effective accuracy. Further, we find that individual energy bounds are not necessarily physically relevant, but rather specific energy ranges are.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Iron-based binary ferromagnets for transverse thermoelectric conversion

Thermoelectric generation using the anomalous Nernst effect (ANE) has great potential for application in energy harvesting technology because the transverse geometry of the Nernst effect should enable efficient, large-area and flexible coverage of a heat source. For such applications to be viable, substantial improvements will be necessary not only for their performance but also for the associated material costs, safety and stability. In terms of the electronic structure, the anomalous Nernst effect (ANE) originates from the Berry curvature of the conduction electrons near the Fermi energy. To design a large Berry curvature, several approaches have been considered using nodal points and lines in momentum space. Here we perform a high-throughput computational search and find that 25 percent doping of aluminium and gallium in alpha iron, a naturally abundant and low-cost element, dramatically enhances the ANE by a factor of more than ten, reaching about 4 and 6 microvolts per kelvin at room temperature, respectively, close to the highest value reported so far. The comparison between experiment and theory indicates that the Fermi energy tuning to the nodal web—a flat band structure made of interconnected nodal lines—is the key for the strong enhancement in the transverse thermoelectric coefficient, reaching a value of about 5 amperes per kelvin per metre with a logarithmic temperature dependence. We have also succeeded in fabricating thin films that exhibit a large ANE at zero field, which could be suitable for designing low-cost, flexible microelectronic thermoelectric generators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Thermal storage system with coupled tanks

Methods and apparatus are disclosed for high-efficiency thermal storage with a fluid-filled “battery” tank positioned within a fluid-filled “reservoir” tank. Fluid loops couple the tanks to a heat pump and a building. The heat pump can charge the battery tank or deliver thermal energy (cold or heat) to a building, using the reservoir tank or ambient air as a thermal energy source. The battery tank can discharge energy to the building jointly with the heat pump or, at periods of peak electricity usage, with the heat pump switched off. Operating modes allow significant savings in electricity usage and mitigate the “duck curve.” Low duty cycle usage of the reservoir enables efficient underground thermal storage with less digging than conventional geothermal technologies. Additional efficiency is achieved with phase change materials installed inside a tank or in a tank wall, providing temperature regulation. Control methods are disclosed.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Micromechanical Surrogate Machine Learning Model for Creep Deformation Modeling

Process variability during the manufacture of gas turbine engine hot section components can significantly affect the material’s resulting microstructure. In casting, for instance, geometric variation within a component (thin sections versus thick sections, radial location) influences cooling rates and the resulting grain size. The high temperature creep response is known to be sensitive to grain size owing to a diffusional creep mechanism which occurs more readily along grain boundaries. Microstructural variation correspondingly drives mechanical behavior which propagates into component scale performance uncertainty. These factors are essential when planning inspection, maintenance, and repair strategies within a reliability framework. These benefits provide opportunities to increase overall energy efficiency through refined margins. Critically, there is an opportunity to bolster existing data-driven reliability models using physics-driven process-structure-property relations. Here we present recent work establishing a framework for evaluating the probabilistic creep performance of high-temperature materials. A novel microstructure-sensitive crystal plasticity finite element model is established that captures both grain boundary and crystallographic deformation effects. The computationally expensive physics model is calibrated using a statistical approach and this high-fidelity model is subsequently used to train a computationally efficient machine learning surrogate model. The surrogate model is essential for sampling a large ensemble of simulated structure-property pair results. The ensemble data are then mined to extract salient trends to be incorporated into a microstructure-sensitive reliability model. The proposed approach represents a novel way to capture microstructure-sensitive trends from physics-based models within a modern reliability framework.

Fernandez-Zelaia, Patxi [ORNL]↗
DOE OSTI2025

Next-generation tunnel FETs: exploring material perspectives and areal tunneling configurations

The end of Dennard scaling, which facilitated proportional increases in computing power without added energy costs until the mid-2000s, has underscored the urgent need for innovative semiconductor devices that can enhance energy efficiency. Tunnel field-effect transistors (TFETs) have emerged as promising candidates to surpass the energy efficiency of conventional metal oxide semiconductor field-effect transistors (MOSFETs). Unlike MOSFETs, which rely on thermionic emission to overcome the source-channel potential barrier, TFETs operate through quantum tunneling, potentially enabling sub-60 mV dec −1 subthreshold swing (SS) for low-voltage operation. However, lateral TFETs have faced challenges in achieving adequate on-state current (I ON ) and a broad SS operation window, limiting their practical utility. This review article advocates for areal TFETs, which utilize face-to-face tunnel junctions that ideally offer step-function current turn-on characteristics and allow I ON to scale with device area rather than width. We highlight recent advancements in integrating 2D materials into tunneling structures, which could facilitate efficient band-to-band tunneling through atomically thin layers, while addressing challenges of gate field screening. We then discuss the nearer-term prospects of epitaxial areal TFETs comprising III–V compound semiconductors and group-IV semiconductors based on recent experimental progress. The review examines both quantum mechanical and semiclassical modeling approaches for TFETs, including techniques to reduce the computational complexity. The article delves into ongoing challenges in material synthesis, interface engineering, device fabrication, and integration pathways, concluding with recommendations for future research directions to overcome the fundamental power density limitations of conventional transistor technology.

2D materials↗
DOE OSTI2025

Data-Efficient Methods for Determining Flory–Huggins χ Parameters in Multicomponent Polymer Formulations

Polymer formulations are essential in diverse applications including personal care products, coatings, paints, adhesives, and plastic materials. Designing these formulations requires navigating large, complex design spaces, where phase and self-assembly behavior critically impact performance. The Flory–Huggins χ parameter, which quantifies segmental miscibility, is widely used to parametrize the excess free energy of mixing in formulation models. In this work, we introduce two data-efficient, top-down methods for estimating χ parameters using the Random Phase Approximation (RPA): (i) Boundary Nonlinear Regression (Boundary-NLR), which fits theoretical spinodal boundaries to experimental phase boundaries, and (ii) Surrogate Model Inverse Parameter Estimation (SMIPE), which uses a Gaussian Process Classifier to fit sparse phase maps via a surrogate model. Both methods allow rapid parametrization of polymer field-theoretic models without the need for additional experiments. We evaluate these approaches on data sets involving polymer–solvent–nonsolvent ternary mixtures and block copolymer–solvent systems, demonstrating their robustness to experimental noise and their relevance for real-world formulation design.

copolymers↗
DOE OSTI2022

2022 roadmap on low temperature electrochemical CO 2 reduction

Abstract Electrochemical CO 2 reduction (CO 2 R) is an attractive option for storing renewable electricity and for the sustainable production of valuable chemicals and fuels. In this roadmap, we review recent progress in fundamental understanding, catalyst development, and in engineering and scale-up. We discuss the outstanding challenges towards commercialization of electrochemical CO 2 R technology: energy efficiencies, selectivities, low current densities, and stability. We highlight the opportunities in establishing rigorous standards for benchmarking performance, advances in in operando characterization, the discovery of new materials towards high value products, the investigation of phenomena across multiple-length scales and the application of data science towards doing so. We hope that this collective perspective sparks new research activities that ultimately bring us a step closer towards establishing a low- or zero-emission carbon cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Nanometal-Interconnected Carbon Conductors (NICCS) for Advanced Electric Machines (RIT Final Technical Report)

Recent advancements in carbon nanotube (CNT) research have enabled lightweight, conductive wires as a transformative technology. Metal-carbon nanotube (CNT) hybrid conductors aim to combine the high conductivity of traditional metals with the low mass and temperature coefficient of resistance (TCR) of carbon nanotubes. The high conductivity of copper makes it a promising candidate to combine with CNTs in a hybrid structure, but there is limited physical and electrical interaction between copper and CNTs. The use of an interfacial layer offers one method of improving the interconnection of a Cu-CNT hybrid conductor. Over the course of this grant, a joule heating-driven chemical vapor deposition (CVD) technique was developed to deposit nanometal seeds throughout a porous, low-density (0.12 g/cm 3 , ~10 tex or mg/m) CNT roving template. Modification of the applied current to the CNT roving allows for the tuning of depositions towards either hot-spot site-specificity or overall uniformity. The effects of temperature, pressure, precursor mass, and the interval of applied current were investigated, demonstrating nanometal depositions ranging from less than 5 % w/w to over 85 % w/w. The versatility of CVD allows for a wide variety of metals to be deposited including copper, titanium, nickel, silver, tungsten, palladium, platinum, ruthenium, rhodium, and iridium. One preferred demonstration involved using platinum depositions to improve the electrical properties of metal-seeded CNTs across all mass loadings studied. Moreover, when the metal-seeded CNT wires were electroplated with copper, densified, and annealed under hydrogen/argon; the result was a Cu-CNT hybrid conductor with the highest conductivities reported to date. The good interconnection of the metal and CNT portions results in a stable conductor. An electrical conductivity of 16-20 MS/m was achieved for multiple Cu-CNT hybrid conductors at 150 °C, which exceeds the program goal for conductivity of greater than 15 MS/m for a 1 m long CNT wire. Overall, the research outcomes from the project showed improvements in CNT wire fabrication from roll-to-roll CVD grown carbon nanotube wires using nanometal interconnects to bridge CNT-to-CNT junctions, thus mitigating network contact resistances. Advanced nanometal interconnected carbon conductors (NICCs) were developed as a means to achieve novel light-weight wiring appropriate for applications that require the conductivity of metallic (i.e., Cu, Al, etc.) wires at elevated temperatures. High conductivity, low TCR electrical conductors such as the nanometal interconnected Cu-CNT hybrids have numerous future applications towards high efficiency motors, generators, and transformers. Specifically, the advanced wires have the ability to operate at lower resistance during conditions for standard electric motors at 150 °C, which would improve the electrical efficiency while lowering energy needs.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High Temperature Optocoupler for 3D High Density Power Modules

The goal of this proposed research is to develop a reliable high-temperature optocouplers, which can operate at 250°C with at least ten-year lifetime, and replace isolation transforms as the galvanic isolation solution for the 3D integration of high density power modules. The electrification of future transportations (i.e., electric vehicles) will continuously drive the demand for high density power modules. Optocouplers (i.e., packaged light emitter and detector) as a promising candidate to replace bulky isolation transformers are highly desirable to facilitate the continuous scale-down of gate driver circuitry that will lead to 3D high density power modules and achieve disruptive performance in terms of thermal management, power density, power efficiency, reliability and operating environments. However, regular semiconductor optoelectronic materials and devices have significant difficulty functioning in the harsh environments designated for high density power module usage (such as operation at high temperatures). Ultimately, it is not the intrinsic properties of power devices that prevent their use at higher temperatures, but rather the low voltage electronics needed to drive them and the packaging that surrounds them. The typical operating temperature for optocouplers is only up to 100°C, due to the limitations of light emitting diode (LED) devices inside and packaging materials. A systematic characterization methodology will be developed to analyze the performance, lifetime and reliability of LED devices and distinguish multiple failure mechanisms at high temperatures. An original methodology of “design for reliability” will be developed to design the optoelectronic devices with high reliability and long lifetime at high temperatures. A new architecture of high temperature high reliable optocouplers will be developed, fabricated and demonstrated with continuous operating at 250°C. The development of efficient, reliable high density 3D power modules is the foundation for energy efficiency and energy reliability. Enabled with advanced 3D integration and packaging technologies, high density power module solutions can achieve much more superior performance over the conventional discrete solutions in terms of efficiency, thermal management and power density. The proposed concept of high temperature optocouplers as the galvanic isolation solution for high density power modules will bring together interdisciplinary research involving the wide bandgap materials, optoelectronics, high reliable device design, electronics packaging and power modules. A streamline of skilled personnel would be trained including graduate and undergraduate students, local engineers and scientists which are in great demand to both academia and optoelectronics industry. The proposed research topics, such as, solid state lighting and high temperature device reliability, are currently of major interest at the Department of Energy, in particular, Sandia National Laboratories. This project can enhance collaborations between the University of Arkansas (UA) and Sandia National Laboratories. The findings of the proposed research are expected to be integrated into high density 3-D power modules at the Engineering Research Center for Power Optimization for Electro-Thermal Systems (POETS).

42 ENGINEERING↗
DOE OSTI2025

Supply Chain Energy and Greenhouse Gas Analysis Using the Materials Flows Through Industry (MFI) Tool: Examination of Alternative Technology Scenarios for the U.S. Chemical Sector

Chemical manufacturing is a large and diverse sector of the U.S. economy, with products, fuels, and a wide assortment of materials used daily by both the public and businesses. Currently, several of the largest volume chemicals produced in the United States rely on fossil fuels as a feedstock, energy source, or both. The list of chemicals includes steam cracking products such as ethylene, propylene, benzene, and xylenes as well as products such as ammonia and methanol. The focus for this work is on platform chemicals that are both produced in the largest volume and have a high potential for subsequent processing into more specialized products. In this study, we explore several new pathways that reduce the overall energy consumption and greenhouse gas (GHG) emissions for each product. These pathways include energy efficiency measures applied to existing production methods, the use of bio‐based fuels and/or feedstocks as new production methods, and electrification of high‐energy‐input stages within current production methods. Scenarios for energy demand and GHG reduction were conducted with the National Renewable Energy Laboratory's Materials Flows through Industry tool. Projections of the energy demand and GHG emissions in 2030 and 2050 are included, using grid composition projections from the NREL ReEDS model. The alternative scenarios selected showcase the effect of realistic changes the industry could make, focusing on technologies with a high level of technical readiness.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗