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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Microstructural Evolution of Steel During Magnetic Field-Assisted Processing

Advancing magnetic field-assisted processing, as an energy-efficient method for tailoring steel microstructures, requires a thorough understanding of how the high magnetic field impacts microstructural evolution, particularly its effect on prior austenite grain structures. The current investigation of a near-eutectoid composition, Fe-C alloy, uses electron backscatter diffraction to examine the morphology and orientation of martensite and pearlite microstructures, and to reconstruct the parent austenite microstructures present during equivalent heating under varied magnetic field strengths (0-T, 2-T, 5-T, and 9-T). It was observed that the magnetic field has a negligible effect on martensite lath/block width, slightly decreases prior austenite grain size, and increases the fraction of austenite grains with annealing twins. Additionally, the magnetic field increases the phase fraction of proeutectoid ferrite but has a negligible effect on pearlite block size and the distribution of boundary misorientation angles. No preferred texture was induced by the magnetic field, regardless of the applied field direction, in the proeutectoid ferrite phase or the martensite and prior austenite microstructures. Furthermore, the observed results contradict previous literature, and the differences are discussed.

Magnetic Materials↗
DOE OSTI2024

Predicting non-linear stress–strain response of mesostructured cellular materials using supervised autoencoder

Recent breakthroughs in advanced manufacturing capabilities have made it possible to design and print sophisticated topologies of cellular structures using diverse engineering materials such as metals, polymers, and ceramics. In these architectured materials, it is often desirable to tailor the mechanical properties by altering the unit cell topology. This necessitates an in-depth understanding of how the topology of the unit cell structure affects the macroscopic behavior of the material in both the linear and the non-linear regimes encountered under large compression. Here, we have developed a machine learning (ML) approach capable of accelerating the prediction of the stress–strain response of a polymer-based cellular structure under uniaxial confined compression. As part of generating the training data for ML, 60,000 mesostructures were generated using a relatively novel approach based on cellular automata, and their corresponding stress–strain responses were obtained from the finite element simulations. Principal component analysis (PCA) was used to reduce the dimensionality of the stress–strain curves. With only 20 principal components, PCA captured 99.89% of the variance in the stress–strain curves while reducing the dimensionality by 5X. ML using supervised autoencoder was able to successfully speed up the prediction of the non-linear stress–strain response of a unit cell by up to 4600X. The proposed method can serve as an efficient data generation tool and a rapid means for predicting the structure–property relationship through accelerated forward modeling of cellular materials under compaction, in cases where the macroscopic stress–strain response is governed by the unit-cell topology.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A chain stretch-based gradient-enhanced model for damage and fracture in elastomers

Similar to quasi-brittle materials, it has been recently shown that elastomers can exhibit a macroscopically diffuse damage zone that accompanies the fracture process. In this study, we introduce a stretch-based gradient-enhanced damage (GED) model that allows the fracture to localize and also captures the development of a physically diffuse damage zone. This capability contrasts with the paradigm of the phase field method for fracture, where a sharp crack is numerically approximated in a diffuse manner. Capturing fracture localization and diffuse damage in our approach is achieved by considering nonlocal effects that encompass network topology, heterogeneity, and imperfections. These considerations motivate the use of a statistical damage function dependent upon the nonlocal deformation state. From this model, fracture toughness is realized as an output. While GED models have been classically utilized for damage modeling of structural engineering materials (e.g., concrete), they face challenges when trying to capture the cascade from damage to fracture, often leading to damage zone broadening (de Borst and Verhoosel, 2016). This deficiency contributed to the popularity of the phase-field method over the GED model for elastomers and other quasi-brittle materials. Other groups have proceeded with damage-based GED formulations that prove identical to the phase-field method (Lorentz et al., 2012), but these inherit the aforementioned limitations. To address this issue in a thermodynamically consistent framework, we implement two modeling features (a nonlocal driving force bound and a simple relaxation function) specifically designed to capture the evolution of a physically meaningful damage field and the simultaneous localization of fracture, thereby overcoming a longstanding obstacle in the development of these nonlocal strain- or stretch-based approaches. Here, we discuss several numerical examples to understand the features of the approach at the limit of incompressibility, and compare them to the phase-field method as a benchmark for the macroscopic response and fracture energy predictions.

Elastomers↗
DOE OSTI2025

Development, validation, and verification of multi-pass thermo-mechanical welding simulations using the open-source MOOSE framework: NeT TG4 benchmark weldment

This study develops and validates a sequentially coupled thermo-mechanical welding simulation for the three-pass 316L stainless steel NeT TG4 benchmark weldment using the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) and the Nuclear Engineering Material model Library (NEML). A diffused ellipsoidal heat source was calibrated against thermocouple data and weld macrographs to accurately model the fusion zone geometry and transient thermal fields. Material hardening is represented using the Lemaitre-Chaboche mixed isotropic-kinematic hardening model, while four annealing models - no annealing, single-stage at 1050 °C and 1300 °C, and two-stage at 800 °C/1300 °C - were implemented to assess the impact of annealing models on the accuracy of the predicted welding-induced plasticity, distortions, and residual stresses. The predictions were validated against experimental measurements and benchmarked against results from commercial software, demonstrating that thermo-mechanical MOOSE welding simulations achieve comparable accuracy with enhanced computational efficiency. This work highlights the potential of using open-source finite element frameworks like MOOSE for advanced manufacturing simulations.

Ji, Wendy [Australian Nuclear Science and Technolo↗
DOE OSTI2026

Achieving ultrahigh modulus of resilience and enhanced thermal stability in ZnO x /SU-8 interpenetrating network polymer nanocomposite nanopillars

The modulus of resilience, a mechanical property that quantifies the maximum strain energy density a material can store during elastic deformation, is a crucial parameter for materials used in flexible displays, micro/nano-electro-mechanical system (M/NEMS) actuators, and ultra-sensitive pressure sensors. In this study, ZnO x /SU-8 nanocomposite nanopillars with a diameter of 300 nm, fully infiltrated with a uniformly distributed, interpenetrating amorphous ZnO x filler network, were synthesized via vapor-phase infiltration (VPI). In-situ uniaxial nano-compression tests revealed that the modulus of resilience of ZnO x /SU-8 reaches ∼ 12 MJ/m 3 , which is an ultrahigh value among all engineering materials with comparable strength. In addition, the synthesis fidelity, inorganic infiltration depth, and mechanical performance were all significantly improved compared to VPI-synthesized AlO x nanocomposites. Thermal stability, another key requirement for M/NEMS device materials operating under extreme environments, was also notably enhanced. Furthermore, partial crystallization of the amorphous ZnO x fillers during annealing contributed to an additional increase in modulus of resilience, reaching up to ∼ 13.9 MJ/m 3 . This work presents an effective fabrication strategy for producing nanostructured organic–inorganic hybrid nanocomposites with ultrahigh modulus of resilience and superior thermal stability, paving the way for their integration into next-generation flexible displays and high-performance M/NEMS devices working under harsh environments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Device response principles and the impact on energy resolution of epitaxial quantum dot scintillators with monolithic photodetector integration

Abstract Epitaxial quantum dot (QD) scintillator crystals with picosecond-scale timing and high light yield have been created for medical imaging, high energy physics and national security applications. Monolithic photodetector (PD) integration enables the sensing of photons generated within the waveguiding crystal and allows a wide range of scintillator-photodetector coupling geometries. Until recently, these doubly novel devices have suffered from complex, high variance responses to monoenergetic sources which significantly reduces their precision and accuracy. The principles governing the overall device response have now been discerned and embodied by an expression derived within a geometrical optics framework which considers optical properties, surface roughness and photodetector coupling geometry. Response variation due to these factors was sufficiently reduced to obtain material-related energy resolution values of 2.4% with alpha particles. These findings place energy resolution alongside luminescence timescale, photon yield, and radiation hardness as outstanding properties of these engineered materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Additive manufacturing of multiscale NiFeMn multi-principal element alloys with tailored composition

Nanostructured multi-principal element alloys (MPEAs) have been explored as next-generation engineering materials due to unique mechanical and functional properties which have significant advantages over traditional dilute alloys. However, the practical applications of nanostructured MPEAs are still limited due to the lack of scalable processing approaches to prepare a large quantity of nanostructured MPEAs, as well as lack of an efficient pathway for high-throughput discovery of better functional nanostructured MPEAs within their vast compositional space. Here we tackle these challenges by presenting an integrated approach by combining direct-ink-writing-based additive manufacturing, solid-state sintering, and chemical dealloying to manufacture hierarchically porous MPEAs. The hierarchical structure is comprised of macro- and micro-scale pores introduced via extrusion printing and polymer decomposition during sintering, as well as nanoscale pores formed via chemical dealloying. The macro- and micro-scale pores allow efficient dealloying of a large mass of material as the diffusion length that the corroding medium must penetrate remains at the scale of the ligaments formed after sintering (∼10 μm), despite the large volume of the 3D-printed samples. In addition, this integrated approach enables versatile control of the alloy composition via precisely tuning the ratio of elemental powders in the starting ink, thus offering a pathway for high-throughput discovery of novel functional MPEAs. As a case study, multiscale macro/micro/nanoporous NiFeMn MPEAs with three different compositions were investigated as catalysts to reduce the overpotential of oxygen evolution reaction (OER), where NiFeMn-based electrocatalysts display composition-dependent performance such that the overpotential measured at a current of 0.5 A g −1 for OER increases in the order of Ni 58 Fe 29 Mn 13 ⩽ Ni 64 Fe 26 Mn 10 < Ni 76 Fe 18 Mn 6 . This introduced manufacturing process offers new opportunities for scalable fabrication and rapid screening of nanostructured multi-component complex alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Phase-field modeling of orientation-dependent crack growth in ductile single crystals with anisotropic elasticity

Crack growth in ductile single crystals (DuSCs) is orientation dependent due to the anisotropies of crystal plasticity and elastic tensor. This study develops a phase-field model incorporating both crystal plasticity and crack growth and proposes a general method to decompose the elastic energy into compressive and tensile parts to prevent crack growth under compression in the phase-field description. The phase-field model, in combination with three Euler angles, is employed to simulate orientation-dependent crack growth in DuSCs. The contributions from crystal plasticity and anisotropic elasticity are compared, and the former is found to dominate in the anisotropy of crack growth in copper single crystals. Furthermore, the simulation results demonstrate that crystal orientation strongly affects the heterogeneous distribution of plastic strain and the interaction between plastic strain and crack growth. High-throughput phase-field simulations are performed with exhaustive crystal orientations, and the results are explained based on the anisotropy of the Taylor factor.

Computational Solid Mechanics↗
DOE OSTI2024

NEML2: A High Performance Library for Constitutive Modeling

NEML2, the New Engineering Material model Library, version 2, is an offshoot of NEML, an earlier material modeling code developed at Argonne National Laboratory. NEML2 extends the key philosophy of its predecessor, i.e., material models are flexible, modular, and can be built from smaller blocks. It also provides modern features that do not exist in the framework of its predecessor such as material model vectorization, automatic differentiation, device-portable just-in-time compilation, operator fusion, lazy tensor evaluation, etc. Moreover, NEML2 can seamlessly integrate with the popular machine learning package PyTorch to take advantage of modern and fast-growing machine learning techniques. In this fiscal year, the development of core library features and capabilities are complete. The purpose of this report is not to serve as a verbatim copy of the software API reference (which is available online at https://reverendbedford.github.io/neml2/). Instead, this report documents the motivation, implementation, design choices, and usage of each core capability as well as their applications in solving practical engineering problems. This report is compiled based on the NEML2 major release 2.0.0.

36 MATERIALS SCIENCE↗
DOE OSTI2024

From Chaos to Clarity: Autonomous Materials Discovery for Extreme Environments [Slides]

The pursuit of advanced functional materials for energy applications demands an understanding of their behavior under the most challenging conditions. Extreme environments, characterized by intense radiation, high temperatures, and corrosive chemistries, push materials to their limits, often revealing unexpected behaviors and degradation pathways. Traditional materials research approaches, relying on trial-and-error experimentation, are often slow and resource-intensive, ill-suited to the complexities of extreme environments. This talk will explore the transformative potential of autonomous materials science in revolutionizing our understanding of materials synthesis and degradation in extreme environments. By integrating advanced microscopy techniques, artificial intelligence, and robotic experimentation, we can accelerate the discovery and design of resilient materials for a sustainable future. The presentation will highlight recent breakthroughs in autonomous microscopy, computer vision, and machine learning, showcasing their ability to unravel complex material transformations at the atomic scale. The talk will also delve into the challenges and opportunities associated with deploying autonomous systems to probe extreme environments, emphasizing the importance of robust algorithms, real-time data analysis, and adaptive experimentation. The ultimate goal is to empower scientists with unprecedented capabilities to explore, understand, and engineer materials that can withstand the harshest conditions, paving the way for innovations in energy, aerospace, and beyond.

14 SOLAR ENERGY↗
DOE OSTI2025

FY25 Cellular Silicone Foam Friction Testing Summary Report

This effort was a collaboration between LANL groups MPA-CINT, E-13, and V-14 to characterize various properties of foam materials for programmatic work. Specifically, MPA-CINT staff members’ contribution to this effort was to perform friction testing of cellular silicone foams of two different porosities with respect to two engineering materials with predefined surface roughnesses. The selected foams (henceforth serving as the sled material interface exposed to motion) had porosities of 67% and 70% with respect to fabricated values. The other materials used in the friction testing measurement couple (static track material) were 304 Stainless Steel (304 SS) and Very High-Temperature Glass-Mica Ceramic, known as Macor®.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Properties of coated and modified surfaces

The ability to create surface and near-surface properties distinct from the bulk properties of a material by means of coating or surface modification techniques is an important new field of development for engineering materials, encompassing ion implantation, plasma processing, reactive deposition methods, ion beam deposition and modification, molecular beam epitaxy, and fast quench thermal processing. Attention is given to specific areas of process control which illustrate (1) the use of process development to control material properties, (2) the importance of surface modification and coating to the tribology and ion-surface interactions of semiconductor film growth, and (3) recent findings in surface science which exemplify potential applications of ion-surface interactions that generate novel material qualities.

Mattox, D. M.↗
NASA NTRS1990

Quantitative characterization of spatial distribution of particles in materials: Application to materials processing

Most engineering materials contain second phase particles or fibers which serve to reinforce the matrix phase. The effect of reinforcements on material properties is usually analyzed in terms of the average volume fraction and spacing of reinforcements, quantities which are global microstructural characteristics. However, material properties can also depend on local microstructural characteristics; for example, on how uniformly the reinforcing phase is distributed in the material. The analysis method will then be applied to a materials processing problem to discover how processing parameters can be selected to maximize redistribution of the reinforcing phase during processing. Several mathematical analysis methods could be adapted to the problem of characterizing the distribution of particles in materials. A tessellation-based method was selected. In the first phase of the investigation, a software package was written to automate the analysis. Typical results are shown. The analysis technique allows the degree to which particles are clustered together, the size and spacing of particle clusters, and the particle density in clusters to be found. The analysis methods were applied to computer-generated distributions and to a few real particle-containing materials. Methods for analyzing a nonuniform particle distribution in a material can be applied to two broad classes of materials science problems: understanding how the resulting particle distribution affects properties. The analysis method described is applied to a materials processing problem: how to select extrusion conditions to maximize the redistribution of reinforcing particles that are initially nonuniformly distributed. In addition, the tessellation-based method to analyze star distributions in spiral galaxies was adapted, illustrating the diverse types of problems to which the analysis method can be applied.

Parse, J. B.↗
NASA NTRS1993

Micropipet manipulation of lipid membranes: Direct measurement of the material properties of a cohesive structure that is only two molecules thick

The objectives are to demonstrate how we can make direct measurements of the mechanical properties of a special structure in biology, namely the lipid bilayer membrane, using a micromanipulation technique, and how these properties compare and contrast with 'more traditional' technological/engineering materials. Given that the investment in equipment and expertise to carry out these experiments is probably beyond the scope of most teaching labs, the described experiment is not intended as one that can actually be demonstrated in a student laboratory class. The intention behind presenting this work is to begin to raise awareness in the Material Science community about the material properties of biological material that form a new (to us) category of soft engineering materials that have dimensions on the nanoscale.

Needham, David↗
NASA NTRS1997

Recruitment and Retention of Indians in Science and Engineering (RISE)

Fifteen students from Turtle Mountain Community College were selected to participate in activities of the RISE project last summer. Eight students successfully completed project activities and received stipends for their participation. These eight students are (1) Jamie Gable, (2) John Morin, (3) Patrick Belgarde, (4) Jason Laducer, (5) Alex Johnson, (6) Eric Houle, (7) Gary Renault, and (8) Kenny DeCoteau. In the fall of 1998, Jamie Gable and Gary Renault went to North Dakota State University to pursue their undergraduate degrees in mechanical engineering, and John Morin and Alex Johnson joined the University of North Dakota's electrical engineering and industrial technology programs, respectively. Remaining four students will continue to participate in the RISE activities this year and transfer to the universities next year. Seven students who failed to complete the RISE project activities during the current award period are encouraged to participate again this fall. The RISE students were enrolled in a special course called "Introduction to Engineering Materials." The project director, Dr. Kamawat, taught the course on Saturdays and Sundays. Theoretical and mathematical background on engineering materials and careers in various engineering professions were discussed in this course. The students attended guest lectures given by engineers and professors and visited local industries. In addition, the students went to North Dakota State University (NDSU) at Fargo, ND, and the University of Minnesota (UMN) at Minneapolis, MN, to tour their engineering departments. At NDSU, they conducted laboratory tests on various engineering materials, such as concrete, steel, wood, plastics, and carbon composites. The students investigated the mechanical behavior of these materials under various loading conditions, collected data, interpreted data, identified possible errors, determined the mechanical properties, and wrote reports on their findings. The students created posters describing their results on the behavior of engineering material. The posters were displayed in the TMCC's student lounge.

Karnawat, Sunil↗
NASA NTRS2001

Higher-Order Theory for Functionally Graded Materials

Functionally graded materials (FGM's) are a new generation of engineered materials wherein the microstructural details are spatially varied through nonuniform distribution of the reinforcement phase(s). Engineers accomplish this by using reinforcements with different properties, sizes, and shapes, as well as by interchanging the roles of the reinforcement and matrix phases in a continuous manner (ref. 1). The result is a microstructure that produces continuously or discretely changing thermal and mechanical properties at the macroscopic or continuum scale. This new concept of engineering the material's microstructure marks the beginning of a revolution both in the materials science and mechanics of materials areas since it allows one, for the first time, to fully integrate the material and structural considerations into the final design of structural components. Functionally graded materials are ideal candidates for applications involving severe thermal gradients, ranging from thermal structures in advanced aircraft and aerospace engines to computer circuit boards. Owing to the many variables that control the design of functionally graded microstructures, full exploitation of the FGM's potential requires the development of appropriate modeling strategies for their response to combined thermomechanical loads. Previously, most computational strategies for the response of FGM's did not explicitly couple the material's heterogeneous microstructure with the structural global analysis. Rather, local effective or macroscopic properties at a given point within the FGM were first obtained through homogenization based on a chosen micromechanics scheme and then subsequently used in a global thermomechanical analysis.

Aboudi, J.↗