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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

3D printing of biomedically relevant polymer materials and biocompatibility

Research on polymer materials for additive manufacturing technology in biomedical applications is as promising as it is numerous, but biocompatibility of printable materials still remains a big challenge. Changes occurring during the 3D-printing processes itself may have adverse effects on the compatibility of the completed print. Furthermore, this prospective will put emphasis on the different additives and processes that can have a direct impact on biocompatibility during and after 3D printing of polymer materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the progress of 3D-printed hydrogels for tissue engineering

Additive manufacturing or more commonly known as 3D printing, is currently driving innovations and applications in diverse fields such as prototyping, manufacturing, aerospace, education, and medicine. Recent technological and materials research breakthroughs have enabled 3D bioprinting, where biomaterials and cells are used to create scaffolds and functional living tissues (e.g. skin, cartilage, etc.). This prospective focuses on the classification and applications of hydrogels, and design considerations in their production (i.e. physical and biological parameters). Herein, the materials for 3D printing of hydrogels, such as biopolymers, synthetic polymers, and nanocomposites, are mainly discussed. More importantly, future perspectives on 3D printing hydrogels including new materials, 4D printing, emerging printing technologies, etc. and their importance in biomedical and bioengineering applications are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simulating microgalvanic corrosion in alloys using the PRISMS phase-field framework

In this prospective paper, we first review the existing simulation tools to simulate microgalvanic corrosion during free immersion. Then, we describe a recently developed application that employs PRISMS-PF, an open-source, high-performance phase-field modeling framework. The model employed in the application accounts for the electrochemical reaction at the metal/electrolyte interface and ionic migration in the electrolyte to determine the evolution of the corrosion front. We present the implementation details for the application and discuss its features such as super-linear parallel scaling performance for a sufficiently large system. Finally, we demonstrate the capability of the application by simulating corrosion of the matrix phase of an alloy near a secondary phase particle in two and three dimensions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Molecular redox-active organic materials for electrochemical carbon capture

Abstract This prospective is a forward-looking outlook for researchers investigating electrochemical carbon capture utilizing molecular redox-active organic materials, with the following objectives: (1) identifying the essential components of an electrochemical carbon capture system, (2) introducing design principles for the system utilizing redox-active organic materials, encompassing their physicochemical properties and other critical factors, (3) presenting representative examples, and (4) promoting further experimental and theoretical studies on the application of redox-active organic materials for electrochemical carbon capture. Graphical abstract

Seo, Hyowon (ORCID:0000000295691902)↗
DOE OSTI2025

Directed self-assembly of block copolymers for high-precision patterning in the era of extreme ultraviolet lithography

Extreme ultraviolet (EUV) lithography enables unprecedented resolution in semiconductor patterning but faces critical challenges in developing resist materials that achieve high-precision at economically viable throughput. Directed self-assembly (DSA) of block copolymers (BCPs) offers a promising solution for pattern rectification by leveraging thermodynamically determined domain structures to decouple BCP pattern quality from the imperfect original lithographic pattern. This prospective presents an overview of recent progress on the EUV + DSA strategy, covering advances in BCP material design, processing, metrology, and pattern transfer. We highlight recent advances in high-χ BCPs with perpendicular orientation and domain spacings compatible with EUV dimensions, leveraging A-b-(B-r-C) architectures. We also discuss progress in chemical pre-pattern fabrication using both positive- and negative tone resists, along with processing strategies to minimize defects and roughness based on BCP thermodynamics and assembly kinetics. We further examine metrology platforms for characterizing the thermodynamics of BCP materials and quantifying the size and shape of BCP domains. Lastly, we review pattern transfer strategies for generating functional inorganic masks suitable for semiconductor manufacturing. Together, these advances highlight the potential of DSA to complement EUV lithography, offering a pathway to address critical challenges in achieving high-precision patterning for the semiconductor industry.

Lee, Kyunghyeon [Univ. of Chicago, IL (United Stat↗
DOE OSTI2026

Machine-learning interatomic potentials for interfaces in all-solid-state batteries: Perspectives on training data, model selection, and validation

Interfaces play a pivotal role in dictating the performance and reliability of all-solid-state batteries (ASSBs), where complex electro-chemo-mechanical phenomena at grain boundaries (GBs) and interfaces can lead to degradation and failure. Traditional atomistic simulation methods, such as first-principles calculations and classical molecular dynamics, face limitations in modeling these interfaces due to either high computational cost or insufficient transferability to the diverse atomic environments evolving at interfaces. Machine-learning interatomic potentials (MLIPs) have emerged as a transformative approach, enabling large-scale, high-accuracy simulations of disordered and chemically complex systems by leveraging the predictability of machine learning models trained on first-principles data. Recent applications of MLIPs have demonstrated their ability to capture intricate behaviors at ASSB interfaces, including ion transport, interfacial evolution, and degradation mechanisms, with accuracy and efficiency unattainable by conventional methods. This prospective paper presents comprehensive analysis and practical guidance for MLIP development for GBs and interfaces in ASSBs, with a focus on three key pillars: data generation, model selection, and validation. Here, we review the current state of MLIP applications for GBs and interfaces in both general and ASSB-specific materials, highlighting best practices and challenges in constructing diverse and representative datasets, choosing appropriate machine learning architectures, and rigorously validating model performance. We also discuss emerging strategies and opportunities for improved reliability and efficiency of MLIPs to simulate realistic interfaces in ASSBs.

Energy - Storage↗
DOE OSTI2026

Time-domain terahertz emission spectroscopy on van der Waals materials

Time-domain terahertz (THz) emission spectroscopy provides a direct method to probe transient photo-currents by recording the emitted terahertz electric field. Although the basic principles of THz surface emission have been understood for more than 30 years, the constant progress in ultrafast laser science to ever shorter pulses, the development of new materials and enhanced sensitivity promote THz emission spectroscopy as a reliable method to gain insights into charge carrier dynamics with unprecedented precision. It provides a versatile tool to study ultrafast processes, such as plasmon-driven hot carriers, dynamics of Dirac fermions, interfacial charge transfer, coherent phonon emission and quantum beating, to name only a few. However, despite the rapidly growing body of research on van der Waals materials, especially in their low-dimensional limit, THz emission spectroscopy has only been applied to a limited extent in these material systems. In this prospective, we review time-domain THz emission spectroscopy as a complementary approach to probe ultrafast charge carrier dynamics and the material’s nonlinear response. After a description of the experimental method, we report on THz emission spectroscopy of bulk and 2D van der Waals materials with special focus on graphene and transition metal dichalcogenide layers.

2D materials↗
DOE OSTI2022

Synergistic direct air capture of CO 2 with aqueous guanidine/amino acid solvents

We report that Methylglyoxal-bis(iminoguanidine) (MGBIG) has been recently identified as a promising sorbent for direct air capture (DAC) of carbon dioxide via crystallization of guanidinium carbonate salts. In this study, the effects of aqueous amino acids and oligopeptides, such as glycine, sarcosine, serine, arginine, taurine, lysine, and glycylglycine, on the efficacy of DAC by crystallization of MGBIG carbonate have been investigated. While most of the amino acids studied were found to precipitate with MGBIG, thereby rendering the sorbent unavailable for DAC, sarcosine, the only amino acid in the series with a secondary amine group, remained soluble in the presence of MGBIG, leading to enhanced DAC compared to MGBIG alone. Specifically, for the same amount of MGBIG (5 mmol), the addition of a small amount of sarcosine to the aqueous solvent–as little as 0.5 mmol–led to extraction of six times as much CO 2 from the air (4.15 mmol vs. 0.7 mmol). Thus, aqueous MGBIG and sarcosine work in synergy, offering the prospect for an effective DAC process.

36 MATERIALS SCIENCE↗
DOE OSTI2024

End-of-Life Plastics Management: A Review: Mechanical recycling, pyrolysis and hydrocracking methods

End-of-life plastics present a significant challenge to achieving a sustainable economy. It is crucial to develop environmentally friendly technologies to process the waste streams beyond landfilling. This review provides a detailed overview of end-of-life plastics management, covering mechanical recycling, pyrolysis and hydrocracking methods. Mechanical recycling is the predominant technique employed on a large scale in recycling end-of-life plastics, and this review discusses the technoeconomic assessment and life cycle assessment (LCA) of mechanical recycling. This review also summarises key studies concentrating on chemical recycling techniques for handling end-of-life plastics. Among these, pyrolysis and hydrocracking are discussed in depth. Recent advancements and fundamentals of these two techniques are covered, highlighting their significance in tackling the plastic waste challenge. The prospects of scaling up pyrolysis and hydrocracking technologies are interpreted in terms of technical and economic feasibility. The discussion concludes with recommendations for future research to commercialise chemical recycling of end-of-life plastics.

Chemistry↗
DOE OSTI2021

Dose Coefficient Calculation for Use in Dosimetry Assessment of a Fission-Based Weapon

In the event of a fission-based weapon or improvised nuclear device (IND) detonation, dose coefficients can be harnessed to provide dose assessments for defense, emergency preparedness, and consequence management, as well as to prospectively inform the assessment of radiation biomarkers and development of medical prophylaxis countermeasures for defense and homeland security stakeholders and decision-makers. Although dose coefficients have previously been calculated for this group, they would apply specifically to the studied population, the 1945 Japanese cohort, after which their anthropomorphic computational phantoms were modeled. For this reason, applications to other populations may be limited, and instead, an assessment of a more standardized population is desired. We employed a series of computational human phantoms representing international reference individuals: UF/NCI voxel phantom series containing newborn, 1-, 5-, 10-, 15-, and 35-year-old males and females. Irradiation of the phantoms was simulated using the Monte Carlo N-Particle transport code to determine organ dose coefficients under four idealized irradiation geometries at three distances from the detonation hypocenter at Hiroshima and Nagasaki using DS02 free-in-air prompt neutron and photon fluence spectra. Through these simulations, age-specific dose coefficients were determined for individual organs. Various articulated PIMAL stylized phantoms were simulated as well to estimate the effect of body posture on dose coefficients and determine the effect of posture on dosimetric estimation and reconstruction. Results additionally demonstrate that 137 Cs and the Watt fission spectra are not ideal general surrogate sources for fission weapons, which may be considered for experimental testing of medical countermeasures. Supplementary data provided tabulates the compilation of organ dose-rate coefficients in this study.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2024

Carbon Management Projects (CONNECT) Database and Explorer

Overview The Carbon Management Projects (CONNECT) Toolkit is an online exploratory visualization tool developed by the U.S. Department of Energy's (DOE) Office of Fossil Energy and Carbon Management (FECM) with support from other federal agencies such as the U.S. Environmental Protection Agency (EPA) and the U.S. Department of Transportation (DOT). It provides a single point of access to authoritative information on federal agency investment in a portfolio of research, development, and demonstration (RD&D) projects that have been publicly announced to advance technologies for point source carbon capture, carbon dioxide removal, transport, storage, and conversion, collectively referred to as carbon management. The RD&D programs covered in this tool are authorized by annual congressional appropriations ("Base Program") and the 2021 Infrastructure Investment and Jobs Act (IIJA). The tool also incorporates public information on other federal initiatives, such as the Regional Clean Hydrogen Hubs, and public information released by other government agencies, such as the Environmental Protection Agency's (EPA) and Primacy States’ Underground Injection Control Class VI permits and EPA’s facility level greenhouse gas (GHG) emissions. Developed in a geographic information system, the tool organizes carbon management projects into five groups based on the primary technology that a project aims to advance, each visually represented as a digital layer ("carbon management project layer"). Only federally funded projects are included, which can be awarded projects that are completed or ongoing, or projects that have been selected but are currently under negotiation. Project information can be viewed in the map or in the attribute table below it when turned on. In the map view, each project is displayed at either its host site (for field work), where available, or its performer site (project lead's location, further explained in the table below). Host sites and performer sites are represented in distinct icons. Several reference layers offer additional public information on infrastructural and natural resource environment for carbon management. These reference layers, combined with multiple geographical basemaps, enable users to visualize the carbon management project layers in context. Carbon management project information will be updated monthly based on feedback and information availability. Carbon management project layers Point Source Carbon Capture (PSC) This layer contains DOE-funded projects focused on capturing carbon dioxide (CO2) from power plants or industrial facilities. Carbon Dioxide Removal (CDR) This layer contains DOE-funded projects focused on capturing CO2 from the atmosphere, including direct air capture (DAC) and DAC hubs, direct ocean capture, enhanced mineralization, and biomass carbon removal and storage. For projects with multiple host sites, each of the sites are displayed individually with the project cost and cost sharing information representing the total for the entire project. Carbon Transport This layer contains DOE- and DOT-funded projects focused on CO2 transport. The Transport Research and Development sublayer contains projects that do not involve physical infrastructure; the Proposed Transport Corridor sublayer contains projects for which either a route for the transport infrastructure has been proposed or a general area for the transport infrastructure has been identified. Carbon Storage This layer contains DOE-funded key projects focused on CO2 storage. For projects with multiple field-work sites, each of the sites are displayed individually on the map with the project cost and cost sharing information representing the overall total for the entire project. Carbon Conversion This layer contains DOE-funded projects focused on converting CO2 into economically valuable products. Reference layers The following layers provide additional information in the geographic proximity of carbon management projects. Users should reference the original sources for more details (weblinks provided below and in pop-up windows on the map). Regional Clean Hydrogen Hub and Facility These layers illustrate the approximate areas of the Regional Clean Hydrogen Hubs announced by DOE's Office of Clean Energy Demonstrations (OCED) and the approximate locations of individual facilities that constitute the hubs (see "Where are the H2Hubs located?" on the webpage linked above). EPA Facility Level GHG Emissions (direct emitter) This layer shows direct CO2 emissions from stationary sources in 2022, using data extracted from EPA's Facility Level Information on GreenHouse gases Tool (FLIGHT). Captured and injected CO2 are not deducted from direct emitters’ total emissions. Contact EPA for additional details. Underground Injection Control Class VI permit/permit application This layer shows the locations of CO2 injection wells that are granted or in the process of applying for an Underground Injection Control Class VI permit by EPA or a Primacy State (currently Louisiana, North Dakota, and Wyoming). The URLs for the permits or permit applications are provided in the pop-up windows associated with the well locations. Contact EPA for additional details. Carbon Storage Resource This layer contains information on prospective CO2 storage resources in saline formations and oil and gas reservoirs provided by the National Carbon Sequestration Database and Geographic Information System (NATCARB) spatial database. Contact NETL for additional details. Existing CO2 pipeline This layer shows active CO2 pipelines based on information digitized from the map issued by the Pipeline and Hazardous Materials Safety Administration (PHMSA). Contact PHMSA for additional details.

Carbon Conversion↗
DOE OSTI2024

Critical Minerals and Materials Matchmaker-CM3

This is the Critical Minerals and Materials Matchmaker (CM3) survey form. CM3 is an online information resource created to help connect users across the critical minerals and materials supply chain. The survey is designed to allow organizations to self-identify their critical minerals and materials-aligned activities and interests, and an interactive map that displays those on-going activities in a dynamic way. To include your critical minerals management activity or activities in CM3, please open and fill out the Critical Minerals and Materials Survey. If your organization has many ongoing or planned activities that would be onerous to enter in the form, or if your activities are difficult to geolocate (such as a transport network), please email the team at edxspatial@netl.doe.gov. This initiative is aligned with the approach of DOE’s H2 Matchmaker and Carbon Matchmaker. Read more information on H2 Matchmaker and Carbon Matchmaker. Below are some questions to help understand if you should fill out the CM3 survey: Does your company work with elements such as lithium, cobalt, copper, graphite, nickel, rare earth minerals, or platinum group metals? Does your organization have research and development activities related to critical materials or their supply chains? Does your company currently work in the critical minerals or materials supply chain? Do you have prospective work in critical minerals or materials in the next 5 years? Does your company mine, process, refine or distribute critical minerals or materials? Do you want to network with other facilities or organizations working in the same areas? Are you curious about the critical mineral and material activity in your surrounding area? Are you interested in aligning your potential needs across the supply chain to different geographic areas within the U.S? For more information, please see the CM3 website (https://www.energy.gov/fecm/articles/critical-minerals-materials-matchmaker-cm3) or email our team at edxspatial@netl.doe.gov.

CM3↗
DOE OSTI2022

Modeling a Nb3Sn Cryounit in GPT at UITF

Nb₃Sn is a prospective material for future superconducting RF (SRF) accelerator cavities. The material can achieve higher quality factors, higher temperature operation and potentially higher accelerating gradients (E_{acc} 96 MV/m) compared to conventional niobium. In this work, we performed modeling of the Upgraded Injector Test Facility (UITF) at Jefferson Lab utilizing newly constructed Nb₃Sn cavities. We studied the effects of the buncher cavity and varied the gun voltages from 200-500 keV. We have calibrated and optimized the SRF cavity gradients and phases for the Nb₃Sn five-cell cavities energy gains with the framework of General Particle Tracer (GPT). Our calculations show the beam goes cleanly through the unit. There is full energy gain out of the second SRF cavity but not from the first SRF cavity due to non-relativistic phase shifts.

Pokharel, S.↗
DOE OSTI2020

The US Electron Ion Collider Accelerator Designs

With the completion of the National Academies of Sciences Assessment of a US Electron-Ion Collider, the prospects for construction of such a facility have taken a step forward. This paper provides an overview of the two site-specific EIC designs: JLEIC (Jefferson Lab) and eRHIC (BNL) as well as brief overview of ongoing EIC R&D.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Machine Learning for Slow Spill Regulation in the Fermilab Delivery Ring for Mu2e

A third-integer resonant slow extraction system is being developed for the Fermilab’s Delivery Ring to deliver protons to the Mu2e experiment. During a slow extraction process, the beam on target is liable to experience small intensity variations due to many factors. Owing to the experiment’s strict requirements in the quality of the spill, a Spill Regulation System (SRS) is currently under design. The SRS primarily consists of three components - slow regulation, fast regulation, and harmonic content tracker. In this presentation, we shall present the investigations of using Machine Learning (ML) in the fast regulation system, including further optimizations of PID controller gains for the fast regulation, prospects of an ML agent completely replacing the PID controller using supervised learning schemes such as Long Short-Term Memory (LSTM) and Gated Recurrent Unit (GRU) ML models, the simulated impact and limitation of machine response characteristics on the effectiveness of both PID and ML regulation of the spill. We also present here nascent results of Reinforcement Learning efforts, including continuous-action soft actor-critic methods, to regulate the spill rate.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Automatic Calibration of a Geomechanical Model from Sparse Data for Estimating Stress in Deep Geological Formations

Summary In this study, we demonstrate geomechanical modeling with fully automatic parameter calibration to estimate the full geomechanical stress fields of a prospective US carbon dioxide (CO2) storage site, based on sparse measurement data. The goal is to compute full stress tensor field estimates (principal stresses and orientations) that are maximally compatible with observations within the constraints of the model assumptions, thereby extending pointwise, incomplete partial stress measurement to a simulated full formation stress field, as well as a rough assessment of the associated error. We use the Perch site, located in Otsego County, Michigan, USA, as our case study. The input data consist of partial stress tensor information inferred from in-situ borehole tests, geophysical well logs, and processing of seismic data. A static earth model (SEM) of the site was developed, and geomechanical simulation functionality of the open-source MATLAB Reservoir Simulation Toolbox (MRST) was used to model the stress field. Adjoint-based nonlinear optimization was used to adjust boundary conditions and material properties to calibrate simulated results of observations. Results were interpreted through a Bayesian framework. The focus of this paper is to demonstrate how the fully automatic calibration procedure works and discuss the results obtained; it does not attempt a detailed analysis of the stress field in the context of the proposed CO2 storage initiatives. Our work is part of a larger effort to noninvasively determine in-situ stresses in deep formations considered for CO2 storage. Guided by previously published research on geomechanical model calibration, our work presents a novel calibration approach supporting a potentially large number of linear or nonlinear calibration parameters to produce results optimally agreeing with available measurements and thus extend partial pointwise estimates to full tensor fields compatible with the physics of the site.

Engineering↗
DOE OSTI2021

EFT asymptotics: the growth of operator degeneracy

We establish formulae for the asymptotic growth (with respect to the scaling dimension) of the number of operators in effective field theory, or equivalently the number of S-matrix elements, in arbitrary spacetime dimensions and with generic field content. This we achieve by generalising a theorem due to Meinardus and applying it to Hilbert series---partition functions for the degeneracy of (subsets of) operators. Although our formulae are asymptotic, numerical experiments reveal remarkable agreement with exact results at very low orders in the EFT expansion, including for complicated phenomenological theories such as the standard model EFT. Our methods also reveal phase transition-like behaviour in Hilbert series. We discuss prospects for tightening the bounds and providing rigorous errors to the growth of operator degeneracy, and of extending the analytic study and utility of Hilbert series to EFT.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Toward a 3d Ising model with a weakly-coupled string theory dual

It has long been expected that the 3d Ising model can be thought of as a string theory, where one interprets the domain walls that separate up spins from down spins as two-dimensional string worldsheets. The usual Ising Hamiltonian measures the area of these domain walls. This theory has string coupling of unit magnitude. We add new local terms to the Ising Hamiltonian that further weight each spin configuration by a factor depending on the genus of the corresponding domain wall, resulting in a new 3d Ising model that has a tunable bare string coupling g_s g s . We use a combination of analytical and numerical methods to analyze the phase structure of this model as g_s g s is varied. We study statistical properties of the topology of worldsheets and discuss the prospects of using this new deformation at weak string coupling to find a worldsheet description of the 3d Ising transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗