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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Critical parameters in the faculty application process: A data-driven analysis

We report the process of applying for science and engineering faculty positions requires a significant time investment for both the applicant and hiring committees. Applicants face the daunting task of sifting through a seemingly endless amount of information related to crafting their application packages in preparation for a review process that is inherently highly subjective. Furthermore, while scientific supervisors are often the most valuable resource during this stage of career development, many years may have passed since they went through this process themselves, and they may not have experience with recent developments in the application process. Because expectations and job responsibilities of new faculty members are rapidly evolving, certain guidelines are often not clearly specified, and it is therefore becoming difficult for applicants to most effectively prepare their application documents. Without access to adequate information and assistance, early-career researchers in particular can be placed at a significant disadvantage in the hiring process. Several recent articles can help prospective applicants in materials science and engineering land a faculty position,1,2,3 but there is nevertheless a need for clarification on expectations for different aspects of the faculty application materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Difficult Measurements of Materials Systems at Cryogenic Temperatures: Cryo-EELS and Cryo-4D-STEM

Scanning/transmission electron microscopy (S/TEM) in materials science has traditionally been accomplished at room temperature due to their solid state in this temperature range and relative insensitivity to radiolysis damage. Cooling to cryogenic temperatures tended to introduce instabilities such as vibration and drift and can lead to the buildup of carbon contamination or ice reducing contrast. The need to expand TEM experimental techniques into new fields such as quantum and battery materials led to new efforts to reduce these instabilities while achieving temperatures at or well below liquid nitrogen (77 K). Further, developments in detector and spectrometer technology brought new capabilities for high resolution electron energy loss spectroscopy (EELS) and scanning nanodiffraction (4D-STEM). These experimental modalities can require even tighter controls of drift, vibration, and exposure time. Here this presentation will discuss accomplishing difficult experiments at cryogenic temperatures in honor of the late Dr. Lena Kourkoutis who inspired and led many such experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quest for environmentally sustainable materials: A case for animal-based fillers and fibers in polymeric biocomposites

This review explores the potential of animal-based fillers and fibers as eco-friendly alternatives to conventional synthetic ones. Examining materials such as wool, silk, feather, hair and beak, the review elucidates their chemistry, structure, properties and sources, emphasizing biodegradability and renewability. It also discusses the compatibility of these materials with polymer matrices and their mechanical, acoustic and thermal performances. Further, the review critically analyzes environmental and ethical implications, presenting challenges and opportunities in the emerging field. By addressing ecological and performance aspects, it contributes to global efforts in fostering sustainability in materials science. Future research to address gaps and enhance the design, manufacture and application of animal-based reinforcements in various industries are clearly outlined at the end of the review.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Tuning the 3D Printability and Thermomechanical Properties of Radiation Shields

Additive manufacturing, with its rapid advances in materials science, allows for researchers and companies to have the ability to create novel formulations and final parts that would have been difficult or near impossible to fabricate with traditional manufacturing methods. One such 3D printing technology, direct ink writing, is especially advantageous in fields requiring customizable parts with high amounts of functional fillers. Nuclear technology is a prime example of a field that necessitates new material design with regard to unique parts that also provide radiation shielding. Indeed, much effort has been focused on developing new rigid radiation shielding components, but DIW remains a less explored technology with a lot of potential for nuclear applications. In this study, DIW formulations that can behave as radiation shields were developed and were printed with varying amounts of porosity to tune the thermomechanical performance.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Curiosity driven exploration to optimize structure–property learning in microscopy

Rapidly determining structure–property correlations in materials is an important challenge in better understanding fundamental mechanisms and greatly assists in materials design. In microscopy, imaging data provides a direct measurement of the local structure, while spectroscopic measurements provide relevant functional property information. Deep kernel active learning approaches have been utilized to rapidly map local structure to functional properties in microscopy experiments, but are computationally expensive for multi-dimensional and correlated output spaces. Here, we present an alternative lightweight curiosity algorithm which actively samples regions with unexplored structure–property relations, utilizing a deep-learning based surrogate model for error prediction. We show that the algorithm outperforms random sampling for predicting properties from structures, and provides a convenient tool for efficient mapping of structure–property relationships in materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Artificial Intelligence for Dynamic Phase Transitions in Materials [PowerPoint]

The presentation covers the following areas: emergent phenomena and non-equilibrium transitions in granular materials; materials science applications, including defects, interfaces and emergent phenomena; modeling with molecular dynamics simulations; principal component analysis (PCA); previous works; PCA applied to nonequilibrium transitions; PCA for varied quenched disorder; PCA incorporating particle velocity; and ending with a summary and impacts.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multimodal Instrument Platform for High-Pressure MAS-NMR and IR Spectroscopic Interrogation

This project developed and tested a high-pressure (HP) flow-through instrument platform that combines HP- magic angle spinning nuclear magnetic resonance (MAS-NMR) spectroscopy for interrogating reactivity at interfaces between solid materials and HP fluids with HP- infrared (IR) spectroscopy for measuring fluid composition. Solid-fluid interfacial reactivity is usually dependent on concentrations of species within the fluid; thus, knowledge of the fluid composition measured by IR is critical to understanding solid-fluid interfacial reactivity probed by NMR. This new system adds to PNNL’s core capabilities in Chemical and Material Sciences to support fundamental programs in catalysis, interfacial molecular science, and geosciences, as well as in Earth and Biological Sciences to support energy production and storage, efforts to mitigate the impacts energy production systems, attenuation of contaminant plumes, and design of subsurface engineered systems for energy production and waste disposal.

36 MATERIALS SCIENCE↗
DOE OSTI2024

IST for Extended Deterrence

Department of Energy (DOE) scientists have long enjoyed technical collaboration with Japanese colleagues ₋ valuing their technical and scientific prowess in materials science and engineering, large-scale, scientific computing, and many other areas. In particular, NNSA’s laboratories are attractive partners for this effort because they have a heritage of performing high quality, basic research; they work with an awareness of the dual use nature of emerging science and technology; and, importantly, they work with deep national security sensibilities through engagement with NNSA and other national security mission responsibilities. Other DOE laboratories with significant national security bona fides are also significant collaborators.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Investigation of Process Emissions during Thermal Cutting of Clad Metals from the Nuclear Sector - 20183

Typically, reactor pressure vessels as well as steam generators comprising low alloyed steel with a cladding of stainless steel. Recently the permissible values for Cr (VI) in the air of the working areas have been reduced in Germany from 100 μg/m{sup 3} to 1 μg/m{sup 3} air. This results in the danger that even with low-alloy steel with claddings these limit values would be exceeded when using flame cutting technologies. In order to ensure compliance with the permissible limit values, exhaust gas systems with gas cleaning measures are provided. The process emission test shall replace the assumptions required for the design of these systems with measured values. NUKEM Technologies Engineering Services GmbH (NUKEM) has chosen autogenous flame cutting as an example of a thermal cutting system for process emission testing, as there are no proven values in the literature for the Cr (VI) and NiOx emissions produced. The autogenous flame cutting can be used for a variety of cutting tasks within decommissioning projects. In order to simulate the material to be cut, mock ups were generated and cut from information about the material specification for the reactor pressure vessel from existing nuclear power plants including possible claddings. The cutting length needed for analysis in the test will be maximum 100 mm. The airborne emissions from the thermal cutting process will be captured and analyzed as follows: - Dust emission: The generated particles will be collected by a hood equipped with strong suction device and suitable filter elements. The resulting filter is gravimetrically measured before and after the tests. - Particle Size Distribution: The airborne particle size distribution measurement will result in figures for the size and number of particles arising from the thermal cutting process. - Gas Analysis: The gas analysis enables the determination of e.g. CO{sub 2}, CO, O{sub 3}, NO, NO{sub 2}. - Cr (VI) and NiOx Analysis: For the Cr (VI) and NiOx analysis, samples of the filter residue will be taken. As a result Cr (VI) in relation to total Cr as well as the Ni content will be determined by ICP-optically emission spectroscopy and put in relation to the total dust amount. The process emissions test itself as well as the necessary gas analyses and spectroscopic analyses were carried out at the Institute of Materials Science (IW) of Leibniz Universitaet Hannover (LUH). The results of the process emission tests are used to confirm the design of the gas cleaning systems. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Sensing at the Nanoscale Using Nitrogen-Vacancy Centers in Diamond: A Model for a Quantum Pressure Sensor

The sensing of stress under harsh environmental conditions with high resolution has critical importance for a range of applications including earth’s subsurface scanning, geological CO2 storage monitoring, and mineral and resource recovery. Using a first-principles density functional theory (DFT) approach combined with the theoretical modelling of the low-energy Hamiltonian, here, we investigate a novel approach to detect unprecedented levels of pressure by taking advantage of the solid-state electronic spin of nitrogen-vacancy (NV) centers in diamond. We computationally explore the effect of strain on the defect band edges and band gaps by varying the lattice parameters of a diamond supercell hosting a single NV center. A low-energy Hamiltonian is developed that includes the effect of stress on the energy level of a ±1 spin manifold at the ground state. By quantifying the energy level shift and split, we predict pressure sensing of up to 0.3 MPa/Hz using the experimentally measured spin dephasing time. We show the superiority of the quantum sensing approach over traditional optical sensing techniques by discussing our results from DFT and theoretical modelling for the frequency shift per unit pressure. Importantly, we propose a quantum manometer that could be useful to measure earth’s subsurface vibrations as well as for pressure detection and monitoring in high-temperature superconductivity studies and in material sciences. Our results open avenues for the development of a sensing technology with high sensitivity and resolution under extreme pressure limits that potentially has a wider applicability than the existing pressure sensing technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Complex, Unique, and Powerful Imaging Instrument for Dynamics (CUPI 2 D) at the Spallation Neutron Source (invited)

The Oak Ridge National Laboratory is planning to build the Second Target Station (STS) at the Spallation Neutron Source (SNS). STS will host a suite of novel instruments that complement the First Target Station’s beamline capabilities by offering an increased flux for cold neutrons and a broader wavelength bandwidth. A novel neutron imaging beamline, named the Complex, Unique, and Powerful Imaging Instrument for Dynamics (CUPI 2 D), is among the first eight instruments that will be commissioned at STS as part of the construction project. CUPI 2 D is designed for a broad range of neutron imaging scientific applications, such as energy storage and conversion (batteries and fuel cells), materials science and engineering (additive manufacturing, superalloys, and archaeometry), nuclear materials (novel cladding materials, nuclear fuel, and moderators), cementitious materials, biology/medical/dental applications (regenerative medicine and cancer), and life sciences (plant–soil interactions and nutrient dynamics). The innovation of this instrument lies in the utilization of a high flux of wavelength-separated cold neutrons to perform real time in situ neutron grating interferometry and Bragg edge imaging—with a wavelength resolution of δλ/λ ≈ 0.3%—simultaneously when required, across a broad range of length and time scales. This manuscript briefly describes the science enabled at CUPI 2 D based on its unique capabilities. The preliminary beamline performance, a design concept, and future development requirements are also presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

In Situ Transmission Electron Microscopy: Signal processing challenges and examples

Transmission electron microscopy (TEM) is a powerful tool for imaging material structure and characterizing material chemistry. Recent advances in data collection technology for TEM have enabled high-volume and high-resolution data collection at a microsecond frame rate. Here, taking advantage of these advances in data collection rates requires the development and application of data processing tools, including image analysis, feature extraction, and streaming data processing techniques. In this article, we highlight a few areas in materials science that have benefited from combining signal processing and statistical analysis with data collection capabilities in TEM and present a future outlook on opportunities of integrating signal processing with automated TEM data analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Materials Provenance Store

Abstract We present a database resulting from high throughput experimentation, primarily on metal oxide solid state materials. The central relational database, the Materials Provenance Store (MPS), manages the metadata and experimental provenance from acquisition of raw materials, through synthesis, to a broad range of materials characterization techniques. Given the primary research goal of materials discovery of solar fuels materials, many of the characterization experiments involve electrochemistry, along with optical, structural, and compositional characterizations. The MPS is populated with all information required for executing common data queries, which typically do not involve direct query of raw data. The result is a database file that can be distributed to users so that they can independently execute queries and subsequently download the data of interest. We propose this strategy as an approach to manage the highly heterogeneous and distributed data that arises from materials science experiments, as demonstrated by the management of over 30 million experiments run on over 12 million samples in the present MPS release.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Carbon Management with Advanced Materials: An Assessment of Experimental and Computational Capabilities at the University of California-Riverside

The major goals of this project were to conduct an R&D scoping study and self-assessment to evaluate how the current capabilities, expertise, personnel, and facilities/equipment of UC Riverside (UCR) align with Fossil Energy and Carbon Management (FECM) objectives. This scoping study particularly focused on the Materials Science & Engineering program since it encompasses faculty from nearly all the engineering and science departments in UCR with expertise in experimental and computational areas of potential interest to FECM. In addition, this assessment identified gaps in capabilities and provided a discussion on what would enable UCR to be better prepared for potential future competitive solicitations focused on FECM-supported technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Combinatorial Synthesis and High-Throughput Characterization of Microstructure and Phase Transformation in Ni–Ti–Cu–V Quaternary Thin-Film Library

Ni–Ti–based shape memory alloys (SMAs) have found widespread use in the last 70 years, but improving their functional stability remains a key quest for more robust and advanced applications. Named for their ability to retain their processed shape as a result of a reversible martensitic transformation, SMAs are highly sensitive to compositional variations. Alloying with ternary and quaternary elements to fine-tune the lattice parameters and the thermal hysteresis of an SMA, therefore, becomes a challenge in materials exploration. Combinatorial materials science allows streamlining of the synthesis process and data management from multiple characterization techniques. In this study, a composition spread of Ni–Ti–Cu–V thin-film library was synthesized by magnetron co-sputtering on a thermally oxidized Si wafer. Composition-dependent phase transformation temperature and microstructure were investigated and determined using high-throughput wavelength dispersive spectroscopy, synchrotron X-ray diffraction, and temperature-dependent resistance measurements. Of the 177 compositions in the materials library, 32 were observed to have shape memory effect, of which five had zero or near-zero thermal hysteresis. These compositions provide flexibility in the operating temperature regimes that they can be used in. A phase map for the quaternary system and correlations of functional properties are discussed with respect to the local microstructure and composition of the thin-film library.

42 ENGINEERING↗
DOE OSTI2022

CRADA Number NFE-19-07867 with Neptune Fluid Flow Systems (CRADA Final Report)

Neptune Fluid Flow Systems is a rising engineering firm with a technology focus in improving cryogenic sample preparation for cryogenic-transmission electron microscopy (cryo-TEM) studies. To advance the R&D of its innovative cryogenic preparation method, Neptune has teamed up with the Center for Nanophase Materials Science (CNMS) at Oak Ridge National Laboratory (ORNL) to achieve the following aims: (1) validate the technical feasibility of CryoSheet sample prep method, (2) design, fabricate and test the cryo-stage support, and (3) experiment and achieve success with the novel sample preparation method on different soft matters.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Top Loading Helium Cryostat Integrated with High-Pressure Cell with Fast Remote Pressure Control (Final Report for SBIR Phase 1)

A large number of physical phenomena, such as superconductivity and quantum critical phenomena, often appear only at very low temperatures below 5 K. There is an immense interest to investigate these phenomena at high pressure as a means of tuning interatomic distances, and thus the interaction parameters controlling these phenomena, in a continuous and controlled fashion. The current P-T condition for neutron scattering experiments are limited to either relatively low pressures of about 2 GPa at temperatures below 5 K, or to relatively high temperatures at pressures or tens of GPa. The purpose of this research is to develop neutron sample environment instrumentation for reaching 10-20 GPa at 1-2K with rapid and reliable online pressure and temperature control (i.e. without having to interrupt the experiment). The ultimate goal of the project is to design an integrated fast-cooling low-temperature sample environment cryogenic system compatible with state of the art neutron diamond anvil cells suitable for single-crystal neutron scattering experiments for temperatures down to 2K and pressures of several tens of GPa. The integrated system will consist of top-loading Helium flow cryostat with in-situ sample alignment mechanisms, large-volume diamond anvil cells (DAC) made from novel superalloy Pascalloy and optimized for fast cooling and heating, and a compact remote pressure control mechanism for the DAC based on a novel concept of inflatable bellows integrated with a lever-arm based force amplifier. In Phase I, we have designed, manufactured, and tested prototypes of the novel compact force-amplified pneumatic pressure control mechanism for Neutron Diamond Anvil Cell (nDAC), which allows to use pneumatic bellows system for smooth remote pressure control in the nDAC inside a top-loading cryostat with bore size of 70 mm or larger. This allows significant minimum temperature decrease in remotely controlled nDAC from 5-10 K down to 2 K. We also studied mechanical properties of a novel non-magnetic superalloy Pascalloy with different heat-treatment conditions and preliminary results indicate that up to date this is probably the strongest and most suitable material for making more compact and lightweight cryogenic nDACs for neuron scattering experiments at extreme conditions, allowing much faster cooling and heating. Potential applications: The new developments will allow to create a wide range of compact Diamond Anvil Cells for neutron diffraction which can reach several tens of GPA pressure at 2-4 K while preserving accurate remote pressure control capabilities. The new concepts can be used for developing sample environment instrumentation outside the neutron scattering field. The new development have very strong potential for expanding experimental capabilities in materials sciences and have high commercialization potential. The proposed new cryogenic high-pressure system or any of its individual components will be in high demand not only in neutron scattering facilities, but also at synchrotron beamlines and other high-pressure research facilities around the world.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Reliability Improvement and Effective Switching Layer Model of Thin-Film MoS 2 Memristors

2D memristors have demonstrated attractive resistive switching characteristics recently but also suffer from the reliability issue, which limits practical applications. Previous efforts on 2D memristors have primarily focused on exploring new material systems, while damage from the metallization step remains a practical concern for the reliability of 2D memristors. Here, the impact of metallization conditions and the thickness of MoS 2 films on the reliability and other device metrics of MoS 2 -based memristors is carefully studied. The statistical electrical measurements show that the reliability can be improved to 92% for yield and improved by ≈16× for average DC cycling endurance in the devices by reducing the top electrode (TE) deposition rate and increasing the thickness of MoS 2 films. Intriguing convergence of switching voltages and resistance ratio is revealed by the statistical analysis of experimental switching cycles. An “effective switching layer” model compatible with both monolayer and few-layer MoS 2 , is proposed to understand the reliability improvement related to the optimization of fabrication configuration and the convergence of switching metrics. In conclusion, the Monte Carlo simulations help illustrate the underlying physics of endurance failure associated with cluster formation and provide additional insight into endurance improvement with device fabrication optimization.

36 MATERIALS SCIENCE↗