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At least 1,423 records · Page 79

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DOE OSTI2026

Tailoring Crosslinks through Time─A Paradigm for Tough Hydrogels

The multidisciplinary applications of hydrogels have motivated a thorough exploration of the relationship between their structural and mechanical properties, i.e., spatial structure–function relationships, with particular regard to strength and toughness. While this approach has driven fundamental advancements in the design of robust hydrogel structures, further complementary perspectives are needed to enable holistic, rational design schemes that integrate considerations such as fabrication and advanced functions like response and adaptation. To these ends, this review focuses on the dynamics of temporal-function relationships and their fundamental bases in order to highlight how the dynamic regulation of polymer interactions programs: 1) polymer assembly and material structure; 2) response to deformation and fracture behavior; 3) dynamic modulation of properties and structural remodeling/self-healing. Here, by exploring this intersection of hydrogel formation, function, and remodeling, this review seeks to shed light on the fundamental relationship between molecular structure, material assembly, and performance in order to connect the emerging area of bioinspired materials processing with tough hydrogel design, and further provides a lasting inspiration and impetus for future hydrogel development that enables valuable scientific and technological advancements.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Novel Materials R&D for Next-Generation Accelerator Target Facilities

High-Entropy Alloys and Electrospun Nanofiber materials are two novel classes of materials that can offer improved resistance to beam-induced radiation damage and thermal shock. Research to develop these new materials specifically for multi-megawatt accelerator target applications, such as beam windows and particle-production targets, has recently begun. The research program will combine in-beam experiments with complementary simulations to tailor the microstructures of these novel materials for use in next-generation accelerator target facilities. Iterative simulations to optimize the material composition, physics performance and beam-induced thermomechanical response will guide the material design and fabrication processes based on established figures of merit. Ensuing material irradiation experiments using low-energy ions and prototypic high-energy protons, followed by extensive post-irradiation material characterization, will then assess and qualify the selected novel materials. This talk will provide an overview of the novel materials development research program initiated at Fermilab through my DOE Early Career Research Program award.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Novel Materials R&D for Next-Generation Accelerator Target Facilities

High-Entropy Alloys and Electrospun Nanofiber materials are two classes of novel materials that can offer improved resistance to beam-induced radiation damage and thermal shock. Research to develop these new materials specifically for multi-megawatt accelerator target applications, such as beam windows and particle-production targets, are ongoing at Fermilab within the scope of a DOE Early Career Research Program. The research program combines in-beam experiments with complementary simulations to tailor the microstructures of these novel materials for use in next-generation accelerator target facilities. Iterative simulations to optimize the material composition, physics performance, and beam-induced thermomechanical response will guide the material design and fabrication processes based on established figures of merit. This will be followed by material irradiation experiments using low-energy ions and prototypic high-energy protons with extensive post-irradiation material characterization to assess and qualify the selected novel materials. This talk will describe the alloy design and synthesis, microstructural pre-characterization of the alloys, and plans for the eventual down selection following low-energy ion irradiation studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1995

Finite element based micro-mechanics modeling of textile composites

Textile composites have the advantage over laminated composites of a significantly greater damage tolerance and resistance to delamination. Currently, a disadvantage of textile composites is the inability to examine the details of the internal response of these materials under load. Traditional approaches to the study fo textile based composite materials neglect many of the geometric details that affect the performance of the material. The present three dimensional analysis, based on the representative volume element (RVE) of a plain weave, allows prediction of the internal details of displacement, strain, stress, and failure quantities. Through this analysis, the effect of geometric and material parameters on the aforementioned quantities are studied.

Glaessgen, E. H.↗

NASA NTRS2008

MISSE 6-Testing Materials in Space

The objective of the Materials International Space Station Experiment (MISSE) is to study the performance of novel materials when subjected to the synergistic effects of the harsh space environment by placing them in space environment for several months. In this paper, a few materials and components from NASA Langley Research Center (LaRC) that have been flown on MISSE 6 mission will be discussed. These include laser and optical elements for photonic devices. The pre-characterized MISSE 6 materials were packed inside a ruggedized Passive Experiment Container (PEC) that resembles a suitcase. The PEC was tested for survivability due to launch conditions. Subsequently, the MISSE 6 PEC was transported by the STS-123 mission to International Space Station (ISS) on March 11, 2008. The astronauts successfully attached the PEC to external handrails and opened the PEC for long term exposure to the space environment.

Prasad, Narasimha S↗

NASA NTRS2009

Some Activities of MISSE 6 Mission

The objective of the Materials International Space Station Experiment (MISSE) is to study the performance of novel materials when subjected to the synergistic effects of the harsh space environment for several months. In this paper, a few laser and optical elements from NASA Langley Research Center (LaRC) that have been flown on MISSE 6 mission will be discussed. These items were characterized and packed inside a ruggedized Passive Experiment Container (PEC) that resembles a suitcase. The PEC was tested for survivability due to launch conditions. Subsequently, the MISSE 6 PEC was transported by the STS-123 mission to International Space Station (ISS) on March 11, 2008. The astronauts successfully attached the PEC to external handrails and opened the PEC for long term exposure to the space environment. The plan is to retrieve the MISSE 6 PEC by STS-128 mission in August 2009.

Prasad, Narasimha S.↗

NASA NTRS2009

Testing of NASA LaRC Materials under MISSE 6 and MISSE 7 Missions

The objective of the Materials International Space Station Experiment (MISSE) is to study the performance of novel materials when subjected to the synergistic effects of the harsh space environment for several months. MISSE missions provide an opportunity for developing space qualifiable materials. Two lasers and a few optical components from NASA Langley Research Center (LaRC) were included in the MISSE 6 mission for long term exposure. MISSE 6 items were characterized and packed inside a ruggedized Passive Experiment Container (PEC) that resembles a suitcase. The PEC was tested for survivability due to launch conditions. MISSE 6 was transported to the international Space Station (ISS) via STS 123 on March 11. 2008. The astronauts successfully attached the PEC to external handrails of the ISS and opened the PEC for long term exposure to the space environment. The current plan is to bring the MISSE 6 PEC back to the Earth via STS 128 mission scheduled for launch in August 2009. Currently, preparations for launching the MISSE 7 mission are progressing. Laser and lidar components assembled on a flight-worthy platform are included from NASA LaRC. MISSE 7 launch is scheduled to be launched on STS 129 mission. This paper will briefly review recent efforts on MISSE 6 and MISSE 7 missions at NASA Langley Research Center (LaRC).

Prasad, Narasimha S.↗

DOE OSTI2024

Multi-Modal Characterization of Interfacial Corrosion of Ni-based Alloys in Chloride-based Molten Salts

The United States Department of Energy (DOE) is committed to the advancement of nuclear reactor technology through initiatives such as the Advanced Reactor Development Program (ARDP), to diversify the United States energy portfolio towards more sustainable energy options. The ARDP includes demonstration by industry partners of molten salt fast reactors (MSRs). Construction of molten salt reactor technology requires qualified nuclear structural materials. Unfortunately, there are no current materials that meet current qualification requirements dictated by the Nuclear Regulatory Commission for construction of MSRs. Adapting current structural material qualifications requires expansion of our current knowledgebase on corrosion performance. In this investigation, we assess microstructural changes in a Ni-based superalloy after exposure to a chloride-containing salt system through a correlated multi-modal approach combining several advanced characterization techniques. Namely we will highlight the impact of grain boundary phenomena at the onset of corrosion attack, including the role of intergranular crack propagation and development of internal corrosion products. The findings from this investigation will further expand our assessment of the corrosion performance of structural materials being investigated for construction of MSR components.

36 - MATERIALS SCIENCE↗

NASA NTRS2002

Materials Science Research Rack-1 Fire Suppressant Distribution Test Report

Fire suppressant distribution testing was performed on the Materials Science Research Rack-1 (MSRR-1), a furnace facility payload that will be installed in the U.S. Lab module of the International Space Station. Unlike racks that were tested previously, the MSRR-1 uses the Active Rack Isolation System (ARIS) to reduce vibration on experiments, so the effects of ARIS on fire suppressant distribution were unknown. Two tests were performed to map the distribution of CO2 fire suppressant throughout a mockup of the MSRR-1 designed to have the same component volumes and flowpath restrictions as the flight rack. For the first test, the average maximum CO2 concentration for the rack was 60 percent, achieved within 45 s of discharge initiation, meeting the requirement to reach 50 percent throughout the rack within 1 min. For the second test, one of the experiment mockups was removed to provide a worst-case configuration, and the average maximum CO2 concentration for the rack was 58 percent. Comparing the results of this testing with results from previous testing leads to several general conclusions that can be used to evaluate future racks. The MSRR-1 will meet the requirements for fire suppressant distribution. Primary factors that affect the ability to meet the CO2 distribution requirements are the free air volume in the rack and the total area and distribution of openings in the rack shell. The length of the suppressant flowpath and degree of tortuousness has little correlation with CO2 concentration. The total area of holes in the rack shell could be significantly increased. The free air volume could be significantly increased. To ensure the highest maximum CO2 concentration, the PFE nozzle should be inserted to the stop on the nozzle.

Wieland, P. O.↗

NASA NTRS1980

Advanced screening of electrode couples

The chromium (Cr(3+)/Cr(2+)) redox couple (electrolyte and electrode) was investigated to determine its suitability as negative electrode for the iron (Fe(3+)/Fe(2+))-chromium (Cr(3+)/Cr(2+)) redox flow battery. Literature search and laboratory investigation established that the solubility and stability of aqueous acidic solutions of chromium(3) chloride and chromium(2) chloride are sufficient for redox battery application. Four categories of electrode materials were tested; namely, metals and metalloid materials (elements and compounds), alloys, plated materials, and Teflon-bonded materials. In all, the relative performance of 26 candidate electrode materials was evaluated on the basis of slow scan rate linear sweep voltammetry in stirred solution. No single material tested gave both acceptable anodic an acceptable cathodic performance. However, the identification of lead as a good cathodic electrocatalyst and gold as a good anodic electrocatalyst led to the invention of the lead/gold combination electrocatalyst. This type of catalyst can be fabricated in several ways and appears to offer the advantages of each metal without the disadvantages associated with their use as single materials. This lead/gold electrocatalyst was tested by NASA-Lewis Research Center in complete, flowing, redox batteries comprising a stack of several cells. A large improvement in the battery's coulombic and energy efficiency was observed.

Giner, J. D.↗

NASA NTRS2000

International Test Program for Synergistic Atomic Oxygen and VUV Exposure of Spacecraft Materials

Spacecraft in low Earth orbit (LEO) are subject to degradation in thermal and optical performance of components and materials through interaction with atomic oxygen and vacuum ultraviolet radiation which are predominant in LEO. Due to the importance of LEO durability and performance to manufacturers and users, an international test program for assessing the durability of spacecraft materials and components was initiated. Initial tests consisted of exposure of samples representing a variety of thermal control paints and multilayer insulation materials that have been used in space. Materials donated from various international sources were tested alongside a material whose performance is well known such as Teflon FEP or Kapton H for multilayer insulation, or Z-93-P for white thermal control paints. The optical, thermal or mass loss data generated during the test was then provided to the participating material supplier. Data was not published unless the participant donating the material consented to publication. This paper presents a description of the types of tests and facilities that have been used for the test program as well as some examples of data that have been generated. The test program is intended to give spacecraft builders and users a better understanding of degradation processes and effects to enable improved prediction of spacecraft performance.

Rutledge, Sharon↗

DOE OSTI2020

Malleable Thermosets (Vitrimers) from CO 2 and Plants

Fiber-reinforced composite materials are increasingly used to replace heavy metal components in transportation applications for lightweighting purposes. Polymer matrix materials used in automotive parts, such as epoxies, nylons, and polypropylenes, are almost all produced from fossil fuels. Higher performance thermoset composites are generally not repairable and lower-cost thermoplastic composites do not have enough performance to replace steel. Vitrimers are a new class of polymer materials with long shelf life, low waste in production, ease of processing, and repairability that have the potential to break through the high-cost thermoset/low-performance thermoplastic barrier to vehicle light-weighting. Vitrimers also exhibit easier chemical recyclability than conventional thermosets with reversible chemical crosslinking that enables reprocessing of scrap from production and end of life components. Vitrimers are a new class of engineered plastics that are weldable, repairable and recyclable like thermoplastics but have high mechanical properties like thermosets. Bio-based vitrimers have only recently been reported in the academic and patent literature. These materials represent an unusual opportunity to meet both VTO light-weighting targets for low-density, high performance materials and BETO sustainability targets for value-added high-volume applications of bio-fuel byproducts. Also, PNNL researchers have previously demonstrated a process to convert CO 2 into potential vitrimer precursors. Washington State University (WSU) success in demonstration of bio-based vitrimers and recent steps toward commercialization of petroleum-based vitrimers support the opportunity for PNNL success in development of sustainable vitrimer materials for recyclable, high-performance fiber-reinforced composites for the transportation sectors.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Polymer Hole Transport Material Functional Group Tuning for Improved Perovskite Solar Cell Performance

As lead halide perovskites (LHPs) continue to achieve success as a light-harvesting material in perovskite solar cells (PSCs), exploring and understanding other materials in the device stack become increasingly important. Particularly, selection of suitable hole transport materials (HTMs) that demonstrate high performance and stability is imperative in the design of P-I-N PSCs. Presented here are a family of 12 structurally related polymers based on either fluorene or carbazole main chains with select aromatic side groups that introduce tunable properties for use in PSCs. How properties such as the highest occupied molecular orbital energy level, conductivity, glass-transition temperature, and wettability of the HTM affect the PSC performance is explored. Devices that incorporate the polymer HTMs perform well relative to PTAA in benchmark P-I-N PSC architectures while exhibiting similar or superior stability under accelerated aging studies. The relative synthetic simplicity and resultant performance of the HTMs in PSCs coupled with the ability to customize properties with different functional groups demonstrates the potential of this family of HTMs for a variety of LHP materials.

14 SOLAR ENERGY↗

DOE OSTI2020

Large room-temperature elastocaloric effect in a bulk polycrystalline Ni-Ti-Cu-Co alloy with low isothermal stress hysteresis

Creation of high-performance advanced elastocaloric materials is essential for the execution of elastocaloric refrigeration that can be an environment-friendly and high-efficiency substitute for the widely used traditional vapor-compression cooling technology. Here we have developed a bulk polycrystalline Ni-Ti-Cu-Co shape memory alloy exhibiting large elastocaloric effect, low stress hysteresis and room temperature working temperature, all of which are of great importance to and urgently demanded for high-efficiency room-temperature elastocaloric refrigeration. This newly developed (Ni 42.5 Ti 50 Cu 7.5 ) 99 Co 1 alloy shows a large room-temperature elastocaloric effect with directly measured adiabatic temperature change up to -14.4 K during unloading. The stress hysteresis of the isothermal superelastic stress-strain curve is as low as 60 MPa when the maximum tensile strain is 2.7%. Owing to the large elastocaloric effect and low stress hysteresis, a very high coefficient of performance up to 19 is achieved on the material level. This newly developed (Ni 42.5 Ti 50 Cu 7.5 ) 99 Co 1 alloy is a robust candidate for efficient elastocaloric refrigeration. Advanced in-situ synchrotron high-energy X-ray diffraction technique was employed to reveal the phase transformation sequence and to accurately determine the crystal structure of different phases, based on which the lattice compatibility between the transforming phases was evaluated and the phase transformation strain was predicted, providing in-depth fundamental understanding of the martensitic transformation in this newly developed alloy. This work could be useful for designing high-performance elastocaloric materials for solid-state cooling applications.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Describing Point Defect Topology in 2D Energy Materials through Computer Vision

2d materials↗

DOE OSTI2023

Role of nanoscale coherent precipitates on the thermo-mechanical response of martensitic materials (Final Report)

Coherent second phases can have a profound effect on the properties and performance of martensitic materials, and we lack a comprehensive, mechanistic understanding of the underlying processes. This limits our ability to rationally design second phases to tailor the response of martensitic materials. To address this situation, this project sought to develop a mechanistic, predictive understanding of the thermal and mechanical response of martensitic materials with nanoscale coherent heterogeneities. A synergistic combination of atomistic simulations and experiments was used to relate the local properties of each phase (in particular, their free energy landscape) and the material nanostructure (volume fraction, shape and size of second phase precipitates, and defects that may disrupt coherency) to the overall materials response. The focus was on second phases expected to induce phenomena or properties not otherwise achievable: second order martensitic transformation in SMAs, ultra-low stiffness, increased control of transition temperatures, and fatigue resistance.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Describing Point Defect Topology in 2D Energy Materials Through Computer Vision

2D materials↗

DOE OSTI2026

Describing Point Defect Topology in 2D Energy Materials Through Computer Vision

Point defects such as vacancies and impurity atoms strongly impact the performance of 2D materials. Traditional efforts often rely on manual detection, a process that is time-intensive, prone to human error, and challenging to scale. Here we leverage machine learning (ML) methods to identify and quantify vacancies within 2D transition metal carbides (Ti3C2, MXenes), aiming to expedite detection while improving accuracy. MXenes exhibit valuable defect-defined electrochemical properties, but we currently lack statistical understanding of defect topology needed to fully harness these materials. Here we employ a convolutional neural network for semantic segmentation of experimental MXene images, opening an opportunity to conduct a rigorous statistical study on defect hierarchy while investigating local relaxation in the lattice. We show how the integration of ML can yield fundamental insight into point defects, providing a powerful tool that will play an increasingly crucial role in the future of materials science. ML is often not just a matter of straightforward application, and pretrained models proved ineffective in this case. Instead, we trained our own neural network (NN) and applied data augmentation techniques and fine-tuning to the training dataset. Since labeled microscopy data is often scarce, we developed training data from a previously published wide-frame MXene image, using customized Gaussian fitting to locate atomic positions. Our trained model was then applied to a large dataset of experimental images, enabling a statistical study of defect configurations across three samples prepared with different HF etchant concentrations (5%, 9.1%, and 12.5%), as shown in Fig. 1. This also allowed us to investigate local strain around vacancies, though we find that we are limited by the precision of measurements using high-angle annular dark field (HAADF) images, as shown in Fig. 2. This study demonstrates how ML enables large-scale, quantitative analysis of atomic defects - an otherwise infeasible task with traditional methods. While our NN was specialized for Ti3C2 MXenes, the pipeline we developed provides a foundation for future ML models tailored to other materials. Ultimately, we envision embedding the NN onto the microscope to give real-time feedback to the user. To make this a reality, continued work is necessary to fully understand the NN's capabilities and limitations. This study gets one step closer to our goals of automated experimentation moving away from traditional methods of manual labeling. As ML capabilities advance, we hope to continue adapting and applying these techniques in microscopy.

2D materials↗