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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

99 TcO 4 - remediation by a cationic polymeric network

Direct removal of 99 TcO 4 - from the highly acidic solution of used nuclear fuel is highly beneficial for the recovery of uranium and plutonium and more importantly aids in the elimination of 99 Tc discharge into the environment. However, this task represents a huge challenge given the combined extreme conditions of super acidity, high ionic strength, and strong radiation field. Here in this paper we overcome this challenge using a cationic polymeric network with significant TcO 4 - uptake capabilities in four aspects: the fastest sorption kinetics, the highest sorption capacity, the most promising uptake performance from highly acidic solutions, and excellent radiation-resistance and hydrolytic stability among all anion sorbent materials reported. In addition, this material is fully recyclable for multiple sorption/desorption trials, making it extremely attractive for waste partitioning and emergency remediation. The excellent TcO 4 - uptake capability is elucidated by X-ray absorption spectroscopy, solidstate NMR measurement, and density functional theory analysis on anion coordination and bonding.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Epitaxial stabilization and phase instability of VO 2 polymorphs

The VO 2 polymorphs, i.e., VO 2 (A), VO 2 (B), VO 2 (M1) and VO 2 (R), have a wide spectrum of functionalities useful for many potential applications in information and energy technologies. However, synthesis of phase pure materials, especially in thin film forms, has been a challenging task due to the fact that the VO 2 polymorphs are closely related to each other in a thermodynamic framework. Here, we report epitaxial stabilization of the VO 2 polymorphs to synthesize high quality single crystalline thin films and study the phase stability of these metastable materials. We selectively deposit all the phases on various perovskite substrates with different crystallographic orientations. By investigating the phase instability, phonon modes and transport behaviours, not only do we find distinctively contrasting physical properties of the VO 2 polymorphs, but that the polymorphs can be on the verge of phase transitions when heated as low as ~400 °C. In conclusion, our successful epitaxy of both VO 2 (A) and VO 2 (B) phases, which are rarely studied due to the lack of phase pure materials, will open the door to the fundamental studies of VO 2 polymorphs for potential applications in advanced electronic and energy devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Decision-tree structures utilizing a phase-transition material

The rich internal physics due to competing electronic phases present in phase-transition materials such as VO2 offer the potential for compact building block design for emerging non-von Neumann computing technologies. Here, based on the relaxation dynamics of an insulator-metal phase transition, we demonstrate experimentally a decision-tree classifier embedded within a single volatile resistive switching device. The tree is constructed by the combination of the voltage pulse and relaxation time and can adapt to different tasks. We use machine learning to analyze the relaxation process, enabling a predictive voltage-relaxation time phase diagram for the electrical resistance state. Classification of the etiology of the chronic cough is presented as a proof-of-principle use case. Further, our approach can be generalized to broader classes of solid-state and solid-liquid interfacial systems that demonstrate a variety of phase relaxations.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Analytical Results for MOX Colemanite Concrete Samples Received on January 15, 2013

The Mixed Oxide Fuel Fabrication Facility (MFFF) will use colemanite bearing concrete neutron absorber panels credited with attenuating neutron flux in the criticality design analyses and shielding operators from radiation. The Savannah River National Laboratory (SRNL) is tasked with measuring the total density, partial hydrogen density, and partial boron density of the colemanite concrete. SRNL received twelve samples of colemanite concrete for analysis on January 15, 2013. The average total density of each of the samples measured by the ASTM method C 642, the average partial hydrogen density was measured using method ASTM E 1131, and the average partial boron density of each sample was measured according to ASTM C 1301. The lower limits and measured values for the total density, hydrogen partial density, and boron partial density are presented. For all the samples tested, the total density and the hydrogen partial density met or exceeded the specified limit. All of the samples met or exceeded the boron partial density lower bound with the exception of samples G3-M11-2000-H, G3-M11-3000-M, and G5-M1-3000-H which are below the limit of 1.65E-01 g/cm 3 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Quantification of Powder Spreading Process for Metal Additive Manufacturing

In powder bed additive manufacturing (AM), the powder spreading process can lead to inhomogeneity in layer height, porosity level, and particle size distribution. Hence, creating homogeneous layers is the first task for optimal printing. The conventional assessment methods for powder quality are limited to a measurement of powder morphology, flowability, particle size distribution, surface roughness, and packing density. However, those techniques may not be the most appropriate to quantify the powder bed characteristics since it is not able to capture local particle configuration and does not provide any vectoral information (e.g., arrangement of contacts between particles during spreading). In this project, we: 1) developed a powder spreading model using discrete element method (DEM) for multiple-layered process, 2) experimentally measure powder spreading dynamics including static angle of repose (AOR) and dynamic AOR in order to calibrate and subsequently validate the model, and 3) investigated the effect of particle spreading process parameters on spatial powder bed structure and quality using scalar (e.g., porosity, surface roughness, coordination number, and particle size distribution) and tensorial (e.g., directionality of inter-particle contacts) methods for a comprehensive quantification of powder bed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Finite Element Simulation of Compression Molding of Woven Fabric Carbon Fiber/Epoxy Composites: Part I Material Model Development

Woven fabric carbon fiber/epoxy composites made through compression molding are one of the promising choices of material for the vehicle light-weighting strategy. Previous studies have shown that the processing conditions can have substantial influence on the performance of this type of the material. Therefore the optimization of the compression molding process is of great importance to the manufacturing practice. An efficient way to achieve the optimized design of this process would be through conducting finite element (FE) simulations of compression molding for woven fabric carbon fiber/epoxy composites. However, performing such simulation remains a challenging task for FE as multiple types of physics are involved during the compression molding process, including the epoxy resin curing and the complex mechanical behavior of woven fabric structure. In the present study, the FE simulation of the compression molding process of resin based woven fabric composites at continuum level is conducted, which is enabled by the implementation of an integrated material modeling methodology in LS-Dyna. Specifically, the chemo-thermo-mechanical problem of compression molding is solved through the coupling of three material models, i.e., one thermal model for temperature history in the resin, one mechanical model to update the curing-dependent properties of the resin and another mechanical model to simulate the behavior of the woven fabric composites. Preliminary simulations of the carbon fiber/epoxy woven fabric composites in LS-Dyna are presented as a demonstration, while validations and models with real part geometry are planned in the future work.

36 MATERIALS SCIENCE↗
DOE OSTI2020

De novo fabrication of multi-heteroatom-doped carbonaceous materials via an in situ doping strategy

Finding a succinct strategy to fabricate multi-heteroatom-doped nanoporous carbonaceous materials is a long-term challenge and highly desired research topic. The key to success is the rational design of easy to obtain and functionalized precursors. Herein, de novo fabrication of carbonaceous materials doped with multiple heteroatoms namely boron, nitrogen, oxygen, fluorine, and sulfur was achieved via a one-step in situ doping procedure using task-specific ionic liquids (TSILs) as precursors. Our strategy hinges on the adoption of particularly designed TSILs with structures functionalized with (1) boron source-containing anions, (2) imidazolium functionalities as the carbon and nitrogen source, (3) nitrile groups capable of trimerization during the heating process, and (4) bis(trifluoromethanesulphonyl)imide and related anions performing as the source of heteroatoms (i.e., fluorine, nitrogen, sulfur, and oxygen) and porogens. The unique structures of the as-prepared TSILs make them qualified precursors for the production of multi-heteroatom-doped carbonaceous materials through simple thermal treatment, with surface areas up to 1021 m 2 g -1 . The introduction of multiple heteroatoms provides the carbonaceous materials with efficient adsorption performance for the capture of hazardous anionic pollutants, dyes, and neutral organic molecules. This finding expands the versatility of TSILs with multi-functionalized architectures, delivering nanoporous materials with wide applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Computational micromechanics model based failure criteria for chopped carbon fiber sheet molding compound composites

Chopped carbon fiber sheet molding compound has a great potential in lightweight automotive, marine, and aerospace applications. One of the most challenging tasks is to predict the failure strength of the material due to its anisotropy and heterogeneity, as well as complex stress states in real-world working conditions. In this work, a novel constitutive model of carbon fiber chip is proposed to capture the pre- and post-failure behaviors under different loading modes. On this basis, we propose a new computational micromechanics model, which is calibrated and validated by uniaxial tensile, compressive, and in-plane shear experiments. Furthermore, a set of microstructures representative volume element (RVE) models under complex loading conditions are reconstructed to understand the relationship between the microstructure characteristics and the failure envelopes. Finally, several modified versions of classical failure criteria are proposed for anisotropic materials with consideration of the fiber orientation tensor. The modified Tsai-Wu failure criterion, which shows the best accuracy among all failure criteria, is highlighted in the comparative study.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Combining diagnostics, modeling, and control systems for automated alignment of the TES beamline

X-ray beamlines are essential components of all synchrotron light sources. Practical operations involve frequent variation in beamline component positions and orientation, particularly when photon beam parameters shift due to experimental needs, or due to variations in the incoming photon beam. The alignment process can be time consuming and takes away from valuable beam time for experimental data collection. We describe progress in the automation of certain alignment tasks on the tender-energy X-ray spectroscopy (TES) beamline at the National Synchrotron Light Source II (NSLS-II). The beamline is controlled using the BlueSky software in which high level experimental plans guide the beamline components during an experiment. Numerous software packages exist for beamline modeling, and they may be tied to the beamline control system using a package we are continuing to develop called Sirepo-Bluesky. The photon beam distribution may be measured with fluorescent screens, and a relation between beam and machine state can be found by varying the mirror and aperture settings over a multi-dimensional range. We describe the results of such parameter varying measurements and how we are combining Sirepo-Bluesky with machine learning methods and reduced models to automate mirror alignment on the TES beamline.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Materials Characterization, Prediction, and Control Project: Characterization of 316L Stainless Steel after Solid Phase Processing using Ultrasonic NDE Method

The Pacific Northwest National Laboratory undertook the Materials Characterization, Prediction, and Control Laboratory Directed Research and Development Project to advance understanding of nuclear material processing and enable multifold acceleration in the development and qualification of new material systems produced via advanced manufacturing methods, such as solid phase processing, for use in national security and advanced energy applications (Smith 2021). A motivation of the Materials Characterization, Prediction, and Control Project was to demonstrate ultrasonic testing as a nondestructive evaluation method to complement traditional destructive methods for characterizing material microstructure with emphasis on grain size determination using a method that may have future applications for real-time inline process monitoring. The objective of the work described in this report is to establish the process and an analysis method for measuring grain sizes of polycrystalline metals with ultrafine grains using ultrasonic shear wave backscattering, building on prior studies on coarser-grained material. The work involves five tasks: Measured ultrasonic backscattering experimentally for a series of 316L stainless steel specimens with various grain sizes made by friction stir processing. Calculated ultrasonic backscattering coefficients from experimental data based on a physical measurement model. Measured ground truth grain sizes of the specimens from electron backscatter diffraction grain boundary images using a generalization of the ASTM E112 (ASTM 2021) intercept method. Built a curve of ultrasonic backscattering coefficients versus the ground truth intercept-based grain sizes to determine the correlation between mean grain sizes and ultrasonic measurements. Demonstrated the ability of using the correlation curve to deduce grain sizes with measured ultrasonic backscattering coefficients for a few 316L stainless steel specimens whose grain sizes were unknown beforehand but were targeted to be an extrapolation to larger grain sizes than used to formulate the correlation curves. Experimental procedures and computational algorithms are developed and validated for these tasks. This work establishes an ultrasonic technique for characterizing material microstructure with ultrafine grains that are often resulted by solid-phase processing. The technique is nondestructive, and it has the potential to be used for real time inline process monitoring. This work successfully demonstrates the viability of an ultrasonic nondestructive evaluation method for microstructural characterization of material having ultrafine grain structure (as small as 1?mm) and produced by an advanced manufacturing method. This includes a demonstration of the method to extrapolate to other conditions. While not demonstrated here, the method is expected to be viable for in-line, or near-inline, process monitoring in advanced manufacturing applications with suitable consideration for access of instrumentation to the material being manufactured.

316 L Stainless Steel↗
DOE OSTI2016

Synthesis and Analysis of Glass Analogs for Solid Fallout Debris

Following a nuclear detonation, radiochemists and post-detonation debris diagnosticians are tasked with performing high-quality analysis of fallout debris samples and accurate device interpretation. Debris formed following a nuclear detonation commonly consists of a heterogeneous glassy matrix containing uranium, plutonium, neptunium, americium, and fission/activation products. Homogeneous and well-characterized reference materials are critical for accurate post-detonation debris analysis. Such reference materials can include aged nuclear explosion debris from the Nevada Test Site (e.g., Trinitite) as well as 'fresh' doped-glass material. Recent work has highlighted the often heterogeneous nature of historical debris, which presents a problem from the aspects of safeguards accountancy and verification as well as micro-scale characterization (i.e., microbeam analysis). In this regard, our work focuses on the creation of homogeneous, 'fresh' doped-glassy standards containing uranium, plutonium, surrogate fission products (e.g., Sr, Cs, Pm, Sm, Eu), and urban material (e.g., Fe and Ca from construction material, stainless steel, aluminosilicates phases as a surrogate for dirt). (authors)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Extrapolating Accelerated UV Weathering Data: Perspective From PVQAT Task Group 5 (Presentation)

Taskgroup 5 (TG5) is concerned with a accelerated aging standard incorporating factors including ultraviolet radiation, temperature, and moisture. Separate experiments are being conducted in support of a test standard via the regional sub-groups in Asia, Europe, and the United States. The authors will describe the objectives and timeline for the TG5 interlaboratory study being directed out of the USA. Qualitative preliminary data from the experiment is presented. To date, the encapsulation transmittance experiment has: replicated behaviors of fielded materials (including specimen location- and formulation additive-specific discoloration); demonstrated coupling between UV aging and temperature; demonstrated that degradation in EVA results from UV- aging; and obtained good qualitative comparison between Xe and UVA-340 sources for EVA. To date, the encapsulation adhesion experiment (using the compressive shear test to quantify strength of attachment) has demonstrated that attachment strength can decrease drastically (>50%) with age; however, early results suggest significant factor (UV, T, RH) dependence. Much remains to be learned about adhesion.

14 SOLAR ENERGY↗
DOE OSTI2020

Geometry-independent microstructure optimization for electron beam powder bed fusion additive manufacturing

The ability to manipulate the formation of microstructure is one of the potential advantages of additive manufacturing. Yet, the additive manufacturing process is riddled with complex interactions between processing parameters, geometry, and spot melting sequence which makes the task of controlling microstructure challenging. This paper proposes a method to solve the microstructure texture optimization problem by leveraging established optimization techniques and increasingly fast and accurate analytical heat transfer models. Respectively, we apply two different optimization algorithms, genetic algorithm and concurrent greedy line search, in order to induce arbitrarily shaped microstructure regions and we use a heat transfer model to evaluate the fitness of solutions in an iterative approach that is far more efficient than pure trial and error. The objective of the optimization algorithm is to control local thermal conditions – hence microstructure formation – during the melting process by manipulating the order and the dwell time of all the points of the infill pattern sequence. We then analyze the optimized sequence to determine important path characteristics that affect the microstructure formation. Through examples, we show that relative order and frequency, as measured by weighted average and variance of spot order, are important factors that influence the final characteristics.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Final Scientific/Technical Report for DOE/EERE project Advanced Magnetic Refrigerant Materials

A team led by GE Global Research developed new magnetic refrigerant materials needed to enhance the commercialization potential of residential appliances such as refrigerators and air conditioners based on the magnetocaloric effect (a nonvapor compression cooling cycle). The new magnetic refrigerant materials have potentially better performance at lower cost than existing materials, increasing technology readiness level. The performance target of the new magnetocaloric material was to reduce the magnetic field needed to achieve 4 °C adiabatic temperature change (ΔT adiabatic ) from 1.5 Tesla to 0.75 Tesla. Such a reduction in field minimizes the cost of the magnet assembly needed for a magnetic refrigerator. Such a reduction in magnet assembly cost is crucial to achieving commercialization of magnetic refrigerator technology. This project was organized as an iterative alloy development effort with a parallel material modeling task being performed at George Washington University. Four families of novel magnetocaloric alloys were identified, screened, and assessed for their performance potential in a magnetic refrigeration cycle. Compositions from three of the alloy families were manufactured into regenerator components. At the beginning of the project a previously studied magnetocaloric alloy was selected for manufacturing into the first regenerator component. Each of the regenerators was tested in magnetic refrigerator prototypes at a subcontractor at at GE Appliances. The property targets for operating temperature range, operating temperature control, magnetic field sensitivity, and corrosion resistance were met. The targets for adiabatic temperature change (ΔT adiabatic ) and thermal hysteresis were not met. The high thermal hysteresis also prevented the regenerator components from displaying measurable cooling power when tested in prototype magnetic refrigerators. Magnetic refrigerant alloy compositions that were predicted to have low hysteresis were not attainable with conventional alloy processing methods. Preliminary experiments with rapid solidification methods showed a path towards attaining low hysteresis compositions should this alloy development effort be continued.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Problem of Identification of Phase Transformation Models Used in Simulations of Steels Processing

Accuracy of phase transformation models depends on the correctness of coefficients evaluation, adequate to the investigated material. Dilatometric tests combined with the inverse analysis are used to perform identification. Since the problem is nonlinear, analytical approach is not possible and the inverse solution is transferred into the optimization task. It leads to difficulties typical for optimization of multivariable function such as local minima and lack of proof of the uniqueness. The problem of the effectiveness and uniqueness of the inverse algorithms used for identification of phase transformation models for steels was investigated for two models. The first was a modified JMAK (Johnson–Mehl–Avrami–Kolmogorov) equation. The second was an upgrade of the Leblond equation, in which second-order derivative of the volume fraction with respect to time was introduced. In classical identification, the result for one transformation depends on the coefficients for the remaining transformations and optimization has to be performed several times until the compatibility between transformations is reached. To avoid encountered problems, complex optimization simultaneously for all coefficients in the models was performed. This approach was based on nature-inspired optimization techniques. Models with identified coefficients for various steels were validated in simulations of industrial processes of laminar cooling and continuous annealing of strips.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Solvent-free synthesis of organometallic halides CH 3 NH 3 PbI 3 and (CH 3 NH 3 ) 3 Bi 2 I 9 and their thermoelectric transport properties

Organometallic halides are great candidates for optoelectronics. As an important family of semiconductors, understanding their thermoelectric transport properties is also important. This has been a challenging task as many of such compounds are highly intrinsic. In this work, we synthesized two halides, CH 3 NH 3 PbI 3 and (CH 3 NH 3 ) 3 Bi 2 I 9 , using a solvent-free method. We found an extraordinarily high Seebeck coefficient of +2600 ± 200 μ V/K in (CH 3 NH 3 ) 3 Bi 2 I 9 . For CH 3 NH 3 PbI 3 , our synthesis method led to a negative Seebeck coefficient of –1350 ± 50 μ V/K, in contrast to positive values observed in solvent synthesized samples. We also found the thermal conductivity of CH 3 NH 3 PbI 3 to be 0.38 W/m K, largely independent of temperature from 300 K to 450 K, despite a tetragonal-to-cubic phase transition. (CH 3 NH 3 ) 3 Bi 2 I 9 has an even lower thermal conductivity of 0.21 W/m K (also temperature independent) which is due to its soft phonon dispersion and weak bonds.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Diffractive optical computing in free space

Abstract Structured optical materials create new computing paradigms using photons, with transformative impact on various fields, including machine learning, computer vision, imaging, telecommunications, and sensing. This Perspective sheds light on the potential of free-space optical systems based on engineered surfaces for advancing optical computing. Manipulating light in unprecedented ways, emerging structured surfaces enable all-optical implementation of various mathematical functions and machine learning tasks. Diffractive networks, in particular, bring deep-learning principles into the design and operation of free-space optical systems to create new functionalities. Metasurfaces consisting of deeply subwavelength units are achieving exotic optical responses that provide independent control over different properties of light and can bring major advances in computational throughput and data-transfer bandwidth of free-space optical processors. Unlike integrated photonics-based optoelectronic systems that demand preprocessed inputs, free-space optical processors have direct access to all the optical degrees of freedom that carry information about an input scene/object without needing digital recovery or preprocessing of information. To realize the full potential of free-space optical computing architectures, diffractive surfaces and metasurfaces need to advance symbiotically and co-evolve in their designs, 3D fabrication/integration, cascadability, and computing accuracy to serve the needs of next-generation machine vision, computational imaging, mathematical computing, and telecommunication technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

USAMP Low-Cost Mg Sheet Component Development and Demonstration Project

The overarching objective of this USAMP project was to develop and demonstrate door panels made from magnesium (Mg) sheet with a cost penalty over conventional steel stampings of no more than $\$5.50$/kg saved. The technical approach integrated experiments with advanced computational tools based on Integrated Computational Materials Engineering (ICME) methods to develop new alloy chemistries and their thermomechanical processing that promise improved formability and lower forming temperatures. A penultimate task before finally forming the stampings was to incorporate actual microstructure into models that would enable formability simulations. This approach would, for the first time, account for individual magnesium grains moving in an anisotropic fashion unlike that for aluminum or steel that have isotropic properties upon which the current simulation tools are based. In separate activities, new coatings and lubricants to facilitate forming and improved corrosion protection and joining strategies, were developed to ensure that the door could be produced with stated product requirements. A technical cost model, which included parts production, assembly, and paint for a door specifically designed for Mg sheet, showed the cost penalty to be between $\$4.26$ to $\$6.60$/kg saved, which enveloped the project’s cost targets. The cost of the coated Mg sheet was identified as the key driver for the cost penalty. The mass of the Mg-intensive door was 7.9 kg, which was 54% less than the baseline steel door.

36 MATERIALS SCIENCE↗