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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Developing a Roadmap for Bio-Derivable and Recyclable Composites: Re-Design and Scale-Up Considerations

Composites, often in the form of fiber reinforced plastics, are used in multiple facets of modern life from snowboards to vehicles, to wind turbines and beyond. Despite their prolific, and often renewable energy related uses, they are currently subject to a linear material economy from emission intensive precursors; thus, there is an opportunity to re-design these materials to be both bio-derivable and recyclable. In the present work, we provide a roadmap of what application considerations must be considered for vacuum assisted resin transfer molding (VARTM) processes for large composites materials at scale (e.g. infusible viscosities, moderate cure times, proper fiber adhesion, low cost, and maximum peak exotherm) when implementing bio-derivable and recyclable materials. We also provide illustrative concepts utilizing polyester covalently adaptable networks, from epoxy-anhydride chemistry, to achieve these goals. We further provide considerations when developing recycling process (e.g. maintenance of fiber sizing and orientation) and demonstrate these practices using low temperature methanolysis. Accompanying technoeconomic and life cycle analysis further illustrate the decarbonization benefits to bio-derivable and recyclable thermosets while informing future research and recycling processes. Finally, we provide a brief introduction to synergistic work within our team exploring how to further decarbonize the manufacturing of these materials.

BIOMASS FUELS,ENERGY CONSERVATION, CONSUMPTION, AN↗
DOE OSTI2023

Statistical analysis and degradation pathway modeling of photovoltaic minimodules with varied packaging strategies

Degradation pathway models constructed using network structural equation modeling (netSEM) are used to study degradation modes and pathways active in photovoltaic (PV) system variants in exposure conditions of high humidity and temperature. This data-driven modeling technique enables the exploration of simultaneous pairwise and multiple regression relationships between variables in which several degradation modes are active in specific variants and exposure conditions. Durable and degrading variants are identified from the netSEM degradation mechanisms and pathways, along with potential ways to mitigate these pathways. A combination of domain knowledge and netSEM modeling shows that corrosion is the primary cause of the power loss in these glass/backsheet PV minimodules. We show successful implementation of netSEM to elucidate the relationships between variables in PV systems and predict a specific service lifetime. The results from pairwise relationships and multiple regression show consistency. This work presents a greater opportunity to be expanded to other materials systems.

electrical measurements↗
DOE OSTI2023

Graph neural networks predict energetic and mechanical properties for models of solid solution metal alloy phases

Here, we developed a PyTorch-based architecture called HydraGNN that implements graph convolutional neural networks (GCNNs) to predict the formation energy and the bulk modulus for models of solid solution alloys for various atomic crystal structures and relaxed volumes. We trained the GCNN surrogate model on a dataset for nickel–niobium (NiNb) generated by the embedded atom model (EAM) empirical interatomic potential for demonstration purposes. The dataset was generated by calculating the formation energy and the bulk modulus as a prototypical elastic property for optimized geometries starting from initial body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal compact packed (HCP) crystal structures, with configurations spanning the possible compositional range for each of the three types of initial crystal structures. Numerical results show that the GCNN model effectively predicts both the formation energy and the bulk modulus as function of the optimized crystal structure, relaxed volume, and configurational entropy of the model structures for solid solution alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tuning crosslinking of hybrid preceramic polymers in vat photopolymerization toward controlled ceramic yields

Control of preceramic polymer crosslinking for UV-curable processing is essential for fine 3D printing with high ceramic conversion for sustainable polymer-derived ceramics (PDC) engineering. While various factors influencing ceramic yield have been studied, the systematic exploration of the relationship between crosslinking and ceramic yield, especially when crosslinking increases volatile elements, remains open for further investigation. This study addresses this gap by utilizing vat photopolymerization (VP) additive manufacturing (AM) as a versatile platform for controlling preceramic crosslinking and ceramic yield. By rationally designing and tuning the photochemical crosslinking through digital light processing (DLP), we demonstrate that the ceramic yield can be enhanced from 64% to over 86%, even with added volatile elements. We reveal that the post-pyrolysis ceramic yield can be closely correlated with the pre-pyrolysis crosslinking of the preceramic network represented by its stiffness. This correlation thereby suggests a fast, energy-efficient, non-destructive methodology to predict and improve ceramic yield. Combined with these findings, our one-pot thiol-ene hybridization of polycarbosilane and polycarbosiloxane via DLP offers an exemplary method to generate hybrid preceramic polymers with tailored material properties toward target applications, and potentially even higher ceramic yields. This study thus contributes to achieving better resource- and energy-efficient preceramic polymer and PDC processing routes toward sustainable, advanced organic–inorganic materials manufacturing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Low Precision and Efficient Programming Languages for Sustainable AI: Final Report for the Summer Project of 2024

This document contains all relevant material generated during the authors' summer internship at NREL in 2024. This report shows how to improve energy efficiency of a few code samples by using low-precision data types combined with mixed-precision algorithms. The main applications considered here are (i) linear system solvers using mixed precision, and (ii) neural networks using mixed precision. This report also discusses how programming languages affect energy consumption of algorithms, energy metrics for a code and tools, and the available current software and hardware infrastructure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Electrokinetic Rare Earth Element Purification

I, Kyle McCarthy, am traveling to Boston, MA for the Materials Research Society conference. At the conference, I will give an oral presentation on research findings from Energy and Homeland Security LDRD "A New, Green Approach to Rare Earth Element (REE) Purification Based on Electrokinetics." in talk titled "Electrokinetic Rare Earth Element Purification." I will also attend other live presentations and conduct professional networking. This fits within Sandia's energy security mission.

McCarthy, Kyle Patrick [Sandia National Laboratori↗
DOE OSTI2022

Direct observation of a dynamical glass transition in a nanomagnetic artificial Hopfield network

Spin glasses, generally defined as disordered systems with randomized competing interactions, are a widely investigated complex system. Theoretical models describing spin glasses are broadly used in other complex systems, such as those describing brain function, error-correcting codes5 or stock-market dynamics. This wide interest in spin glasses provides strong motivation to generate an artificial spin glass within the framework of artificial spin ice systems. Here we present the experimental realization of an artificial spin glass consisting of dipolar coupled single-domain Ising-type nanomagnets arranged onto an interaction network that replicates the aspects of a Hopfield neural network. Using cryogenic X-ray photoemission electron microscopy (XPEEM), we performed temperature-dependent imaging of thermally driven moment fluctuations within these networks and observed characteristic features of a two-dimensional Ising spin glass. Specifically, the temperature dependence of the spin glass correlation function follows a power-law trend predicted from theoretical models on two-dimensional spin glasses. As a result, we observe clear signatures of the hard-to-observe rugged spin glass free energy in the form of sub-aging, out-of-equilibrium autocorrelations and a transition from stable to unstable dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A machine learning approach for increased throughput of density functional theory substitutional alloy studies

In this study, a machine learning-based technique is developed to reduce the computational cost required to explore large design spaces of substitutional alloys. The first advancement is based on a neural network (NN) approach to predict the initial position of minority and majority ions prior to DFT relaxation. The second advancement is to allow the NN to predict the total energy for every possibility minority ion position and select the most stable configuration in the absence of relaxing each trial minority configuration. A bismuth oxide materials system, (Bi x La y Yb z ) 2 MoO 6 , was used as the model system to demonstrate the developed methods and quantify the resulting computational speedup. Compared to a brute force method that requires the calculation of every permutation of minority configuration and subsequent DFT relaxation, a 1.3× speedup was realized if the NN predicted the initial configuration of ions prior to relaxation. Implementation of the second advancement allowed the NN to predict the total energy for all possible trial configurations and downselect the most stable configurations prior to relaxation, resulting in a speedup of approximately 37×. Validation was done by comparing position and energy between the NN and DFT predictions. A maximum position vector mean squared error (MSE) of 1.6 × 10 -2 and a maximum energy MSE of 2.3 × 10 -7 was predicted for the worst case configuration. This method demonstrates a significant computational speedup, which has the potential for even greater computational savings for larger compositional design spaces.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Energy efficient photonic memory based on electrically programmable embedded III-V/Si memristors: switches and filters

Abstract Over the past few years, extensive work on optical neural networks has been investigated in hopes of achieving orders of magnitude improvement in energy efficiency and compute density via all-optical matrix-vector multiplication. However, these solutions are limited by a lack of high-speed power power-efficient phase tuners, on-chip non-volatile memory, and a proper material platform that can heterogeneously integrate all the necessary components needed onto a single chip. We address these issues by demonstrating embedded multi-layer HfO 2 /Al 2 O 3 memristors with III-V/Si photonics which facilitate non-volatile optical functionality for a variety of devices such as Mach-Zehnder Interferometers, and (de-)interleaver filters. The Mach-Zehnder optical memristor exhibits non-volatile optical phase shifts > π with ~33 dB signal extinction while consuming 0 electrical power consumption. We demonstrate 6 non-volatile states each capable of 4 Gbps modulation. (De-) interleaver filters were demonstrated to exhibit memristive non-volatile passband transformation with full set/reset states. Time duration tests were performed on all devices and indicated non-volatility up to 24 hours and beyond. We demonstrate non-volatile III-V/Si optical memristors with large electric-field driven phase shifts and reconfigurable filters with true 0 static power consumption. As a result, co-integrated photonic memristors offer a pathway for in-memory optical computing and large-scale non-volatile photonic circuits.

Cheung, Stanley (ORCID:0000000248860013)↗
NASA NTRS1998

Proposed Mars Surveyor Landing Sites in Northern Meridiani Sinus, Southern Elysium Planitia, and Argyre Planitia

Our objective is to propose two landing sites that the Mars Surveyor 2001 Lander and Athena Rover could go to on Mars that should meet the safety requirements of the spacecraft landing system and optimize surface operations (chiefly driven by power and communications requirements). An additional site within Argyre Planitia, initially proposed by Parker to the Mars Surveyor Landing Site program, is also proposed for potential consideration for post-2001 missions to Mars, as it is well outside the current latitude limits for the Athena Rover. All three sites are designed to be situated as close to a diversity of geologic units within a few kilometers of the landing site so that diversity can be placed in a geologic context. This objective is very different from the Mars Pathfinder requirement to land at a site with a maximum chance for containing a diversity of rocks within a few tens of meters of the lander. That requirement was driven by the Sojourner mobility limit of a few tens of meters. It can be argued that the Athena project, with its much larger mobility capability, might actually want to avoid such a site, because placing collected samples in geologic context would be difficult. While it has been argued, both before and after the Mars Pathfinder landing, that the provenance for local blocks may be determined by orbiter spectra, primarily from the MGS TES instrument, our ability to do so has yet to be demonstrated. Indeed, several months after conclusion of the Pathfinder mission, we have yet to reach a consensus on the composition of local materials. Our primary data set for selecting a landing site within the latitude and elevation constraints of the 2001 mission is the Viking Orbiter image archive. The site must be selected to place the landing ellipse so as to avoid obvious hazards, such as steep slopes, large or numerous craters, or abundant large knobs. For this purpose, we chose a resolution limit of better than 50 m/pixel. This necessarily excludes from the present study images from current and future orbiter spacecraft, until such data does become readily available. Within each proposed region, it may be possible to identify additional sites once these data become available. Second, the fine-component thermal inertia data, should be greater than about 5 or 6 cgs Units (10(exp -3) cal/sq cm s(exp -0.5)/K). Low thermal inertias imply dusty environments, which could pose a mobility hazard. Similarly, the albedo of the site should not be particularly high, which would also suggest dusty surfaces. Low albedos are preferred, as they often coincide with low Viking red:violet ratios and indicate less dusty surfaces. Next, the Modeled Block Abundance should also not be too high or too low. Based on the Viking Lander and Mars Pathfinder experiences, percentages of blocks should be on the order of 5-25%. Too many blocks could pose a hazard to the landing and mobility. Too few blocks could also indicate a dusty surface. Primary Landing Site: Northern Meridiani Sinus (Proposed by T. J. Parker and K., S. Edgett) Vital Statistics: (1) Latitude, Longitude: 0-3 N, 350-2 W. *Elevation (Viking): about0.5-1.5 Ian. (2) Viking Orbiter Image coverage: Excellent coverage by 15 - 25 m/pixel images (orbits 709A and 410B). Possible stereo coverage in region where two orbits overlap (probably small parallax angle, as these orbits are not listed in NASA Contractor Report 3501) (3) Albedo: about .18 -.26 (4) Block Abundance: 5-26% (5)Fine-Component Thermal Inertia: 5-9 cgs units This region consists of bright deposits similar to those described by Edgett et al, that also lie within a prominent dark albedo region. These deposits are flat-lying, to such a degree that they ramp against topography rather than draping over it. This led Edgett and Parker to suggest that they may be subaqueous sediments, possibly lacustrine or marine evaporites, laid down sometime from the late Noachian to middle Hesperian (age determination pending crater counts). A contact between this material and elevated, dissected highlands to the south was identified , and is described by Edgett et al. Our desire in proposing this landing site is to sample the edge of this deposit where it has been exposed through etching, presumably eolian deflation (the deposit, though in the highlands, is itself only lightly to moderately cratered). This should enable access to in situ stratigraphy. The actual landing site will be selected where slopes are not expected to be steep, such that the rover itself should be able to traverse them and sample layered materials on the way, either up or down the slope. Perhaps due to uncertainties at this time as to the friability or meter-scale roughness of the deposit, it might make sense to place the landing ellipse on the exhumed highland surface adjacent to the deflated margin of the deposit and plan on driving to the deposit rather than landing on it and driving downslope. This should also enable imaging the margin for evidence of layering should it prove too difficult to climb. A target ellipse on the highland surface should also allow Athena access to ancient Noachian highland materials, particularly if placed near crater ejecta or an inlier of knobby material. Secondary Landing Site: Southern Elysium Planitia (Proposed by T. J. Parker) Vital Statistics: (1) Latitude, Longitude: 1.5-3.5 S, 195-198 W. (2) Elevation (Viking): -1.0 km. (3) Viking Orbiter Image coverage: Excellent coverage by 15 - 25 m/pixel images (orbit 725). Possible stereo coverage between images from beginning and end of orbit that overlap (probably small parallax angle) (4) Albedo: about .27-.28 (5) Block Abundance: 4-7% (6) Fine-Component Thermal Inertia: about 3 cgs units This region consists of eroded knobby material, probably of Noachian age, though much of the crater population has been destroyed, that is onlapped at a sharp contact by an extensive plains unit in southern Elysium Planitia that is Amazonian in age. The plains materials have been attributed to unusually low-viscosity flood lavas from fissures south of the Elysium volcanic rise, or to lacustrine materials associated with a large, Amazonian lake at the source of Marte Vallis. Parker and Schenk presented evidence in support of the latter interpretation, though they attributed the putative shore morphology to an embayment of a northern plains ocean into the southern Elysium region. Detailed examination of the margin of the deposit, showing erosion, not simply burial, of small crater rims and fluidized ejecta blankets, also points to lacustrine or marine sedimentation rather than volcanic plains burial. The plains surface exhibits a "crusty" appearance that many researchers have attributed to pressure ridges in lava flows. In a lacustrine context, they also resemble pressure ridges in desiccated evaporite deposits and salt-rimmed pools (now dry) similar in scale and morphology to spectacular, hundred meter-scale pool rims in alkaline Lake Natron, East African Rift. The eroded highland margin surface adjacent to these plains appears to be fairly smooth, even at 15 m/pixel. Isolated knob inliers are scattered from a few kilometers to several tens of "kilometers apart. Heights of the knobs have not been measured yet but, based on experience with similar features in the Pathfinder landing ellipse, are probably typically on the order of several tens of meters high and smaller, though some of the largest knobs in the region are probably up to a few hundred meters high. Two craters larger than a kilometer in diameter, with fluidized deposits, lie nearby the proposed landing site. Very high-resolution images from MOC should help to determine whether a landing site navigable by the Athena rover could be placed in this region. The space between knobs and craters is large enough to enable placement of a target landing ellipse between them but still provide access to one or more of them and to the margin of the Elysium plains material. Post-2001 Mars Surveyor Landing Site: Argyre Planitia (Proposed by T. J. Parker) Vital Statistics: (1) Latitude, Longitude: 55-56 S, 41-43 W. (2) Elevation (Viking): 1.0 km. (3) Viking Orbiter Image coverage: Excellent coverage by 40 m/pixel images (orbits 567B, 568B, and 569B). Excellent stereo coverage with large parallax angles over the entire landing site region, and much of central and southern Argyre. (4) Albedo: about .23-.24 (5) Block Abundance: No data (6) Fine-Component Thermal Inertia: No data The floors of both the Argyre and Hellas basins contain etched layered materials that are probably thick accumulations of channel or lacustrine sediments. The deposits in Hellas are much more eroded than those in Argyre, and Hellas lacks a channel outlet. Argyre is unique in that Uzboi Vallis flowed out of the basin, requiring overflow of a standing body of water within Argyre. This makes it the largest impact basin on Mars with channels both draining into it and flowing out from it. Hellas' channels may be catastrophic flood channels, whereas Argyre was fed by modest-scale valley networks, though the outlet at Uzboi Vallis was a catastrophic flood Highland craters and basins of this kind should be high-priority landing targets for missions intended to focus on the search for either prebiotic organic materials or even simple fossil microorganisms. Basins with internally-draining valley networks should be preferred over flood channels, as they could have provided the long-term influx of water favorable to the origin of life. (Catastrophic floods are not conducive to fossil preservation, due to their very short durations and high transportation energies). They also afford an opportunity to study the evolution of the planet's climate and volatiles during the period of time between the late Noachian and early Hesperian, when a drastic change from a proposed early warm, wet climate to one more closely resembling the modern environment is thought to have occurred. Large basin

Parker, T. J.↗
DOE OSTI2024

Copper–Carbon Nanotube Composites Enabled by Brush Coating for Advanced Conductors

There is a growing demand for advanced conductors with enhanced electrical properties to increase the energy efficiency in various applications. A promising strategy to achieve this involves the use of ultraconductive copper (UCC) composites that incorporate highly conductive carbon materials, such as carbon nanotubes (CNTs), into the copper matrix. In this study, we present a scalable brush coating technique to incorporate CNTs onto Cu substrates to produce Cu–CNT–Cu composites. The process involves brush coating the CNT solution on Cu tape substrates, followed by vacuum-assisted thermal removal of organic moieties (e.g., surfactant/polymer). This step ensures the creation of a uniformly distributed CNT network within the Cu matrix. By addition of a thin film Cu overlayer, the fabricated Cu–CNT–Cu composite architecture demonstrates similar electrical conductivity, increased current carrying capacity, and enhanced mechanical properties compared to pure Cu reference tapes. Finally, the performance characteristics of these UCC tapes along with the scalability of the brush coating approach hold great promise for the fabrication of advanced conductors for wide-ranging energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A multiscale anisotropic polymer network model coupled with phase field fracture

The study of polymers has continued to gain substantial attention due to their expanding range of applications, spanning essential engineering fields to emerging domains like stretchable electronics, soft robotics, and implantable sensors. These materials exhibit remarkable properties, primarily stemming from their intricate polymer chain network, which, in turn, increases the complexity of precisely modeling their behavior. Especially for modeling elastomers and their fracture behavior, accurately accounting for the deformations of the polymer chains is vital for predicting the rupture in highly stretched chains. Despite the importance, many robust multiscale continuum frameworks for modeling elastomer fracture tend to simplify network deformations by assuming uniform behavior among chains in all directions. Recognizing this limitation, our study proposes a multiscale fracture model that accounts for the anisotropic nature of elastomer network responses. At the microscale, damage in the chains is assumed to be driven by both the chain's entropy and the internal energy due to molecular bond distortions. In order to bridge the stretching in the chains to the macroscale deformation, we employ the maximal advance path constraint network model, inherently accommodating anisotropic network responses. As a result, chains oriented differently can be predicted to exhibit varying stretch and, consequently, different damage levels. To drive macroscale fracture based on damages in these chains, we utilize the micromorphic regularization theory, which involves the introduction of dual local-global damage variables at the macroscale. The macroscale local damage variable is obtained through the homogenization of the chain damage values, resulting in the prediction of an isotropic material response. The macroscale global damage variable is subjected to nonlocal effects and boundary conditions in a thermodynamically consistent phase field continuum formulation. Moreover, the total dissipation in the system is considered to be mainly due to the breaking of the molecular bonds at the microscale. To validate our model, we employ the double-edge notched tensile test as a benchmark, comparing simulation predictions with existing experimental data. Additionally, to enhance our understanding of the fracturing process, we conduct uniaxial tensile experiments on a square film made up of polydimethylsiloxane (PDMS) rubber embedded with a hole and notches and then compare our simulation predictions with the experimental observations. Furthermore, we visualize the evolution of stretch and damage values in chains oriented along different directions to assess the predictive capacity of the model. In conclusion, the results are also compared with another existing model to evaluate the utility of our model in accurately simulating the fracture behavior of rubber-like materials.

42 ENGINEERING↗
NASA NTRS2002

Development of Novel Composite and Random Materials for Nonlinear Optics and Lasers

A qualitative model explaining sharp spectral peaks in emission of solid-state random laser materials with broad-band gain is proposed. The suggested mechanism of coherent emission relies on synchronization of phases in an ensemble of emitting centers, via time delays provided by a network of random scatterers, and amplification of spontaneous emission that supports the spontaneously organized coherent state. Laser-like emission from powders of solid-state luminophosphors, characterized by dramatic narrowing of the emission spectrum and shortening of emission pulses above the threshold, was first observed by Markushev et al. and further studied by a number of research groups. In particular, it has been shown that when the pumping energy significantly exceeds the threshold, one or several narrow emission lines can be observed in broad-band gain media with scatterers, such as films of ZnO nanoparticles, films of pi-conjugated polymers or infiltrated opals. The experimental features, commonly observed in various solid-state random laser materials characterized by different particle sizes, different values of the photon mean free path l*, different indexes of refraction, etc.. can be described as follows. (Liquid dye random lasers are not discussed here.)

Noginov, Mikhail↗
DOE OSTI2023

Massively Parallel Bayesian Model Calibration and Uncertainty Quantification with Applications to Nuclear Fuels and Materials

The U.S. Department of Energy (DOE)’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. Fuel behavior in a nuclear reactor is governed by a complex network of mechanisms interacting with various other physics aspects in the reactor system. Any model developed to represent the fuel behavior will likely be idealized resulting in uncertainties in their predictions compared to the observed data. As such, this report was motivated by the need to identify the sources of uncertainties and quantify and propagate them through the fuel model outputs. Such quantification of uncertainties will establish a level of model trustworthiness, identify approaches to improve the model trustworthiness, and even guide optimal experiment design for maximal information gain. To accomplish the uncertainty quantification for computational models, this report has relied on the Bayesian framework which provides probabilistic treatment of models their inputs and outputs. The current state-of-the-art on performing Bayesian Uncertainty Quantification (UQ) for nuclear engineering models using High Performance Computing (HPC) resources have been reviewed. Implementation of capabilities for massively parallel Bayesian UQ in Multiphysics Object-Oriented Simulation Environment (MOOSE) is discussed. Several verification cases are discussed to verify the accuracy of the quantified uncertainties using the developed computational capabilities in MOOSE. Then, the problem of quantifying the uncertainties in TRI-Structural isOtropic (TRISO) fuel silver release is addressed. For the first time, the uncertainties arising from the TRISO Fission Gas Release (FGR) model due to model inadequacy and experimental noise are quantified. Also, the Bayesian capabilities are applied to the calibration of the MATPRO creep model, a widely used model in several fuel assessment cases. The impact of the prediction uncertainties in the MATPRO model on the fuel cladding behavior as part of the TRIBULATION assessment case (which is an integral effects case) is investigated. This report concludes with a discussion on the future work for the UQ for computational models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1997

Structure-Property Relationships of Bismaleimides

The purpose of this research was to control and systematically vary the network topology of bismaleimides through cure temperature and chemistry (addition of various coreactants) and subsequently attempt to determine structure-mechanical property relationships. Characterization of the bismaleimide structures by dielectric, rheological, and thermal analyses, and density measurements was subsequently correlated with mechanical properties such as modulus, yield strength, fracture energy, and stress relaxation. The model material used in this investigation was 4,4'-BismaleiMidodIphenyl methane (BMI). BMI was coreacted with either 4,4'-Methylene Dianiline (MDA), o,o'-diallyl bisphenol A (DABA) from Ciba Geigy, or Diamino Diphenyl Sulfone (DDS). Three cure paths were employed: a low- temperature cure of 140 C where chain extension should predominate, a high-temperature cure of 220 C where both chain extension and crosslinking should occur simultaneously, and a low-temperature (140 C) cure followed immediately by a high-temperature (220 C) cure where the chain extension reaction or amine addition precedes BMI homopolymerization or crosslinking. Samples of cured and postcured PMR-15 were also tested to determine the effects of postcuring on the mechanical properties. The low-temperature cure condition of BMI/MDA exhibited the highest modulus values for a given mole fraction of BMI with the modulus decreasing with decreasing concentration of BMI. The higher elastic modulus is the result of steric hindrance by unreacted BMI molecules in the glassy state. The moduli values for the high- and low/high-temperature cure conditions of BMI/MDA decreased as the amount of diamine increased. All the moduli values mimic the yield strength and density trends. For the high-temperature cure condition, the room- temperature modulus remained constant with decreasing mole fraction of BMT for the BMI/DABA and BMI/DDS systems. Postcuring PMR-15 increases the modulus over that of the cured material even though density values of cured and postcured PMR were essentially the same. Preliminary results of a continuous and intermittent stress relaxation experiment for BMI:MDA in a 2:1 molar ratio indicate that crosslinking is occurring when the sample is in the undeformed state. Computer simulation of properties such as density, glass transition temperature, and modulus for the low- temperature cure conditions of BMI/MDA and BMI/DABA were completed. The computer modeling was used to help further understand and confirm the structure characterization results. The simulations correctly predicted the trends of these properties versus mole fraction BMI and were extended to other BMI/diamine systems.

Tenteris-Noebe, Anita D.↗
DOE OSTI2026

LaserNetUS: A Proposal to Advance North America’s First High Intensity Laser Research Network Final Report

LaserNetUS Collaborative Network established in 2018 is a network of high-power laser facilities supported by the Department of Energy (DOE) Office of Fusion Energy Sciences (FES) and operating effectively as a user facility. Its mission is to advance and promote intense laser science and applications by providing scientists and students with broad access to unique facilities and enabling technologies, advancing the frontiers of laser-science research, and fostering collaboration among researchers and networks from around the world. Users who submit proposals through an annual call are selected by an external and independent proposal review panel (PRP) not involving personnel from any of the facilities.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Energy storage in magnetic textures driven by vorticity flow

Here, an experimentally feasible energy-storage concept is formulated based on vorticity (hydro)dynamics within an easy-plane insulating magnet. The free energy associated with the magnetic winding texture is built up in a circular easy-plane magnetic structure by injecting a vorticity flow in the radial direction. The latter is accomplished by electrically induced spin-transfer torque, which pumps energy into the magnetic system in proportion to the vortex flux. The resultant magnetic metastable state with a finite winding number can be maintained indefinitely because the process of its relaxation via phase slips is exponentially suppressed when the temperature is brought well below the Curie temperature. We characterize the vorticity-current interaction underlying the energy-loading mechanism through its contribution to the effective electric inductance in the rf response. Our proposal may open an avenue for naturally powering spintronic circuits and nontraditional magnet-based neuromorphic networks.

36 MATERIALS SCIENCE↗