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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Interplay of structural fluctuations and charge carrier dynamics is key for high performance of hybrid lead halide perovskites

The ability of methylammonium lead triiodide (MAPbI 3 ) to achieve photoelectric conversion efficiency that is on par with crystalline silicon has led to a surge of interest in perovskite photovoltaics. However, an in-depth understanding of how the ubiquitous coupling between the fast rovibrational movements of the organic cations and the phonon vibrations of the inorganic framework affects the relaxation and recombination of hot carriers remains largely elusive. Access to such knowledge is critical to guide design and increase efficiency of new classes of perovskite solar cells. In this report, we report a time-domain ab initio investigation of temperature dependent excited state dynamics in MAPbI 3 , with particular emphasis on nuclear anharmonic effects. The observed strong anharmonicity is attributed to softness of the material and unusual dynamical coupling between the organic and inorganic components. At an elevated temperature, the hydrogen bonding between MA and iodines is weakened, enhancing rotation of MA cations, which become more dynamically disordered. As a result, thermal vibrations of the inorganic Pb–I sublattice are suppressed, and the lattice anharmonicity is decreased. Thermal fluctuations of the electronic energy levels are found to follow the trend of anharmonic motions of Pb and I atoms, with holes relaxing faster to the band edges than electrons, due to higher density of the hole states. While elevated temperature accelerates intraband carrier cooling, it slows nonradiative carrier recombination. The latter result is important for performance, since solar cells and other devices heat up during operation. The reported signatures of coupled structural dynamics of the organic cations and inorganic framework unravel the interplay between anomalous structural fluctuations and charge carrier dynamics, which is of particular importance for fundamental understanding of the structure–property relationships in hybrid metal halide perovskites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Glassy interphases reinforce elastomeric nanocomposites by enhancing percolation-driven volume expansion under strain

For nearly a century, introduction of nanoparticles to elastomers has yielded extraordinarily tough nanocomposites that are critical to technologies from actuators to tires. The mechanisms by which this reinforcement occurs have nevertheless remained a central open question in material science. One widely debated hypothesis posits that strong interactions between polymer and particles induce "glassy bridges" that cement particles into a cohesive percolating network that resists elongation. Here, molecular dynamics simulations show that glassy particle shells do not primarily provide elongational cohesion. Instead, they amplify an underlying mechanism wherein competition between filler and elastomer networks causes the elastomer's volume to increase on deformation. This induces contributions from the elastomer's bulk modulus, which is of order 1000 times larger than its Young's modulus. These findings establish a unified understanding of low-strain reinforcement in filled elastomers as emanating from volumetric competition between coexisting particulate and elastomeric networks. This reframes and unifies our understanding of low-strain reinforcement, provides a clear-cut diagnostic for the presence of glassy bridging, and offers a new design principle for tough elastomeric nanocomposites.

Computational Physics (physics.comp-ph)↗
DOE OSTI2022

Luminescence from Self‐Trapped Excitons and Energy Transfers in Vacancy‐Ordered Hexagonal Halide Perovskite Cs 2 HfF 6 Doped with Rare Earths for Radiation Detection

Abstract Compared to halides Cs 2 HfX 6 (X = Cl, Br, I) with a vacancy‐ordered cubic double perovskite structure, the halide Cs 2 HfF 6 (CHF), with a hexagonal Bravais lattice, possesses a higher mass density and chemical stability for radiation detection. Luminescence properties and energy transfer mechanisms of rare‐earths‐doped CHF materials are studied here. The structure of CHF is identified as a new type of vacancy‐ordered hexagonal perovskite, with the same type of building blocks of the double perovskite but stacked with single layers. Density‐functional theory calculations reveal a large bandgap of CHF. A broad emission is observed from the pristine CHF host, which is suggested to be associated with self‐trapped excitons (STEs). A series of rare‐earths‐doped materials are designed utilizing the STE emissions, and efficient energy transfers from STEs and Tb 3+ to Eu 3+ are achieved for tunable emissions. The codoped material shows stable emission under X‐ray irradiation, with 10.2% reduction from its initial emission intensity, associated with possible structural evolution by radiation‐induced deformation of the soft host. The radiation responses of singly and codoped materials are evaluated, and the codoped material is found to be more sensitive to the radiation energy than the singly doped or pristine CHF for radiation detection.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Low Energy Ionizing Radiation and Plasma Contributions to Radiation Dose in Materials at Sun-Earth Lagrange Points

- High energy radiation environments responsible for radiation damage to thick materials are well characterized and modeled: - Galactic cosmic rays — Badhwar-O’Neil 2020, CREME96, Nymmik - Solar particle events — Emission of Solar Protons, SAPPHIRE, JPL, King 1972 - Trapped radiation belts — AE8/AP8, AE9/AP9/IRENE - Low energy radiation environments responsible for radiation damage to thin materials relevant to Lagrange points and interplanetary missions have not been treated as comprehensively to date: - Solar wind - Magnetosheath - Magnetotail - Concern to spacecraft design and operations is radiation damage to surfaces and thin materials with mission critical applications on exterior of spacecraft - Applications: thermal control coatings, sunshields, multilayer insulation, optical thin film coatings, solar sails, thermo-optical properties of space exposed materials - Damage processes: radiation degradation (total dose), light ion sputtering, proton blistering of soft metals, modification of optical properties (α/ε), modification of charging properties (SEY, surface conductivity)

Joseph I. Minow↗
NASA NTRS1990

Use of graphite epoxy composites in the Solar-A Soft X-Ray Telescope

This paper describes the use of composite materials in the Soft X-Ray Telescope (SXT). One of the primary structural members of the telescope is a graphite epoxy metering tube. The metering tube maintains the structural stability of the telescope during launch as well as the focal length through various environmental conditions. The graphite epoxy metering tube is designed to have a negative coefficient of thermal expansion to compensate for the positive expansion of titanium structural supports. The focus is maintained to + or - 0.001 inch by matching the CTE of the composite tube to the remaining structural elements.

Jurcevich, B. K.↗
DOE OSTI2022

Conductive Ink with Circular Life Cycle for Printed Electronics

Electronic waste carries energetic costs and an environmental burden rivaling that of plastic waste due to the rarity and toxicity of the heavy-metal components. Recyclable conductive composites are introduced for printed circuits formulated with polycaprolactone (PCL), conductive fillers, and enzyme/protectant nanoclusters. Circuits can be printed with flexibility (breaking strain ≈80%) and conductivity (≈2.1 × 10 4 S m -1 ). These composites are degraded at the end of life by immersion in warm water with programmable latency. Approximately 94% of the functional fillers can be recycled and reused with similar device performance. The printed circuits remain functional and degradable after shelf storage for at least 7 months at room temperature and one month of continuous operation under electrical voltage. Here, the present studies provide composite design toward recyclable and easily disposable printed electronics for applications such as wearable electronics, biosensors, and soft robotics.

36 MATERIALS SCIENCE↗
NASA NTRS1990

The subscale orbital fluid transfer experiment

The Subscale Orbital Fluid Transfer Experiment (SOFTE) is a planned Shuttle Orbiter fluid transfer experiment. CASP (Center for Advanced Space Propulsion) performed certain aspects of the conceptual design of this experiment. The CASP work consisted of the conceptual design of the optical system, the search for alternative experimental fluids, the determination of the flow meter specifications and the examination of materials to use for a bladder that will empty one of the tanks in the experiment.

Collins, Frank G.↗
DOE OSTI2025

A Computational Framework to design 3D stiffness gradient acoustic metamaterials for impedance matching

Acoustic waves play a crucial role in various applications, including medical imaging, non-destructive testing, and sonar systems. One of the significant challenges in these applications is impedance matching, which is essential for minimizing reflections and maximizing the transfer of acoustic energy between different media. Acoustic metamaterials offer a promising solution to this challenge. In addition to impedance control, gradient stiffness can enhance structural efficiency and enable spatial control of wave propagation, making it a valuable feature in acoustic metamaterial design. In this pa- per, we present our developed computational method to design 3D stiffness gradient acoustic metamaterials for impedance matching. The key steps in our approach include generating initial designs using a periodic covariance function to provide unit cells that are both periodic on the boundaries and randomly formed inside the unit cell. Furthermore, we integrated manufacturing constraints into the design process, ensuring that the structures are interconnected for fabrication. We propose two computational optimization algorithms: GenUnit, based on a non-dominated sorting genetic algorithm (NSGA-II), and MLMatch, which leverages differentiable machine learning. The two approaches are not separate contributions but complementary com- ponents of a unified framework. GenUnit requires no training data and directly interfaces with physics-based simulations, making it highly accurate but slower for large-scale exploration. In contrast, MLMatch is data-hungry during training but, once trained, enables near-instantaneous inference and broad design-space coverage. Together, they form a hybrid strategy: ML- Match rapidly explores the global design space, and GenUnit provides local refinement with high-fidelity accuracy. This balance between training cost, inference time, and precision is the motivation for including both methods in the same study. We applied this dual-algorithm framework to generate two metallic-based metamaterial designs that match the acoustic impedance of water while exhibiting a controlled gradient in stiffness (from stiff to soft). The stiffness gradient is particularly advantageous in applications where one side of the structure must interface with soft or sensitive surfaces, such as human tissue or delicate components. Here, this work paves the way for improved materials in various acoustic applications, particularly in ultrasound devices, by providing better impedance.

Metamaterial↗
NASA NTRS2008

Deployable Crew Quarters

The deployable crew quarters (DCQ) have been designed for the International Space Station (ISS). Each DCQ would be a relatively inexpensive, deployable boxlike structure that is designed to fit in a rack bay. It is to be occupied by one crewmember to provide privacy and sleeping functions for the crew. A DCQ comprises mostly hard panels, made of a lightweight honeycomb or matrix/fiber material, attached to each other by cloth hinges. Both faces of each panel are covered with a layer of Nomex cloth and noise-suppression material to provide noise isolation from ISS. On Earth, the unit is folded flat and attached to a rigid pallet for transport to the ISS. On the ISS, crewmembers unfold the unit and install it in place, attaching it to ISS structural members by use of soft cords (which also help to isolate noise and vibration). A few hard pieces of equipment (principally, a ventilator and a smoke detector) are shipped separately and installed in the DCQ unit by use of a system of holes, slots, and quarter-turn fasteners. Full-scale tests showed that the time required to install a DCQ unit amounts to tens of minutes. The basic DCQ design could be adapted to terrestrial applications to satisfy requirements for rapid deployable emergency shelters that would be lightweight, portable, and quickly erected. The Temporary Early Sleep Station (TeSS) currently on-orbit is a spin-off of the DCQ.

Izenson, Michael G.↗
NASA NTRS1986

Perspective on the local interstellar medium

Theoretical local-interstellar-medium (LISM) models designed to explain the observed soft-X-ray background (SXRB) are reviewed. Consideration is given to the LISM in the immediate solar vicinity (the Local Fluff, extending 3-10 pc), the local bubble (a large irregularly shaped cavity filled with very-low-density gas at 10 to the 6th K and surrounded by denser material), the three-dimensional structure of the SXRB emitting region, the thermal nature of the SXRB, and the implications of process time scales for LISM theories. A number of possible mechanisms are discussed in the context of a model in which the LISM hot gas is a remnant from the creation of the local bubble about 20 Myr ago and/or the product of supernova reheating as recently as 150 kyr ago.

Cox, D. P.↗
NASA NTRS1991

Reusable Reentry Satellite (RRS): Telemetry, Tracking, and Command (TT/C) Coverage Tradeoff Study

The Reusable Reentry Satellite (RRS) Telemetry, Tracking & Command (TT&C) Coverage Tradeoff Study described herein was performed during Part 1 of the RRS Phase B contract. This report is one of several that describes the results of various trade studies performed to arrive at a recommended design for the RRS satellite system. The overall RRS Phase B Study objective is to design a relatively inexpensive satellite to access space for extended periods of time, with eventual recovery of experiments on Earth. The RRS will be capable of: (1) being launched by a variety of expendable launch vehicles; (2) operating in low earth orbit as a free flying unmanned laboratory; and (3) executing an independent atmospheric reentry and soft landing. The RRS will be designed to be refurbished and reused up to three times a year for a period of 10 years. The expected principal use for such a system is research on the effects of variable gravity (0 to 1.5 g) and radiation on small animals, plants, lower life forms, tissue samples, and materials processes. This Summary Report provides a description of the RRS Telemetry, Tracking & Command Analysis performed to study the ground station coverage available to meet RRS requirements. Concepts were considered that used off-the-shelf technology, had generous margins of capability, and high reliability, were easily maintained, cost effective, and were compatible with existing support networks. From this study, a recommended RRS TT&C configuration will be developed.

Source record↗
DOE OSTI2022

Synergy of carbonyl and azo chemistries for wide-temperature-range rechargeable aluminum organic batteries

Rechargeable aluminum organic batteries (RAOBs) are promising for developing cost-effective and sustainable energy storage devices due to the low cost, abundance, and high sustainability of aluminum and organic resources. In this study, we designed and synthesized a redox-active polymer bearing carbonyl and azo groups as a cathode material for RAOBs. The polymeric cathode exhibits a high reversible specific capacity, superior cyclic stability, fast charging capability, and a wide operation temperature range (₋40°C to 100°C). X-ray photoelectron spectroscopy (XPS), pair distribution function (PDF) analysis, and soft X-ray absorption near edge structure (XANES) were employed to gain fundamental insight into the carbonyl and azo chemistries in RAOBs, as well as the cathode electrolyte interphase (CEI) structure. We demonstrated a step-by-step alumination/de-alumination reaction for carbonyl and azo groups in the polymer cathode and unraveled a Al 2 O 3⁻ and AlN-rich CEI, which is critical for the impressive performance of RAOBs.

25 ENERGY STORAGE↗
NASA NTRS2025

Rheology of Lunar Regolith Simulant Under Varying Gravitational Conditions

Understanding structure-property-process relationship aka rheology of regolith in varying gravity conditions is critical for exploration and future missions. In this work, a framework for studying rheology of lunar regolith simulant in varying gravity conditions (Terrestrial, Lunar and Martian) is described theoretically/numerically, where the driving force of flow of simulants was gravitational acceleration. In the analysis particle-particle interaction forces were included. It was found that the dynamic behavior of granular material is extremely sensitive to external conditions by virtue of the myriad of forces present between particle grains. The results obtained were validated against results obtained in earth and Lunar gravity conditions. The theoretical/numerical and experimental results showed that the complex interaction of these forces can drastically change the dynamics of the material, which is not captured by standard design rules, generally used in industry, for variable gravity applications.

Simulation↗
DOE OSTI2026

Bioinspired Design of Dissipative Self-Assembly of Active Materials (Final Technical Report)

The major objective of this DOE-funded research program was to establish general, experimentally validated design principles for dissipative, out-of-equilibrium self-assembly of synthetic active materials. In living systems, structures such as actin filaments and microtubules are maintained far from thermodynamic equilibrium through continuous energy consumption. This persistent nonequilibrium operation enables functions including adaptability, self-healing, directed motion, and force generation—properties that are largely absent in traditional equilibrium soft materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

CHESS: The future direct geometry spectrometer at the second target station

CHESS, chopper spectrometer examining small samples, is a planned direct geometry neutron chopper spectrometer designed to detect and analyze weak signals intrinsic to small cross sections (e.g., small mass, small magnetic moments, or neutron absorbing materials) in powders, liquids, and crystals. CHESS is optimized to enable transformative investigations of quantum materials, spin liquids, thermoelectrics, battery materials, and liquids. The broad dynamic range of the instrument is also well suited to study relaxation processes and excitations in soft and biological matter. The 15 Hz repetition rate of the Second Target Station at the Spallation Neutron Source enables the use of multiple incident energies within a single source pulse, greatly expanding the information gained in a single measurement. Furthermore, the high flux grants an enhanced capability for polarization analysis. This enables the separation of nuclear from magnetic scattering or coherent from incoherent scattering in hydrogenous materials over a large range of energy and momentum transfer. This paper presents optimizations and technical solutions to address the key requirements envisioned in the science case and the anticipated uses of this instrument.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Tailored Silicone Network Architecture for Ultimate Mechanical Reinforcement

Hydrosilylation cured silicone elastomers are subject to reaction inefficiency, leading to incomplete and non-uniform crosslink networks, restricting the potential of mechanical reinforcement. This work investigates pre-synthesized, functional PDMS architectures as additives to improve ultimate mechanical performance relative to conventional single-step curing. Three custom, functional structures were prepared: a partially crosslinked PDMS scaffold (Structure A), a bottle-brush PDMS (Structure B), and a star-shaped PDMS derived from an MQ resin (Structure C). Rheological characterization was used to identify the ultimate design space and proper stoichiometric ratio for Structure A, and confirm successful formation of all structures for suitable incorporation into a base silicone formulation at 30wt%. Mechanical tests indicated that all three structures increased in ultimate tensile strength relative to their single-step counterparts, with Structure A providing additional improvements to toughness (432 vs. 258 kJ/m3) and ultimate elongation (158 vs. 115%). Furthermore, Structure B remained very soft in the unfilled state, while Structure C provided hardness (23 vs. 18 Shore A) and stiffness (780 vs. 420 kPa Young’s modulus) increases. In silica filled systems, Structure A retained increased strength but reduced elongation, while Structure B indicated strong reinforcement in terms of strength, toughness, and stiffness. Thermal analysis on the cure profiles of these materials suggested that pre-formation of network architectures enable a more complete reaction than a single-step process (15.9 vs. 15.1 J/g). Ultimately, these results indicate that tailoring PDMS architecture before the final cure can improve ultimate mechanical properties via improved network development in silicone elastomers. Furthermore, this work offers a promising strategy for designing higher-performance, more tunable silicone formulations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Asymmetric Miktoarm Star Polymers as Polyester Thermoplastic Elastomers

A library of polyester-based A(BA') n asymmetric miktoarm star polymers was synthesized with A, A' = poly(l-lactide) (PLLA) as the semicrystalline hard blocks and B = poly(4-methylcaprolactone) (PMCL) as the soft segment using a grafting-through platform known as μSTAR. The synthetic versatility of μSTAR enabled a systematic investigation of architectural design parameters, in particular the number of BA' arms (n), while holding the A, A', and B block lengths constant. The value of n has a pronounced impact on the mechanical properties of these high-molecular-weight miktoarm materials. Tensile toughness increases with n, an effect likely related to bridging, as the modulus drops because the hard-block volume fraction decreases. Furthermore, these insights expand our understanding of architecture effects in sustainable thermoplastic elastomers.

36 MATERIALS SCIENCE↗