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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Single-Molecule Electron Transport in Peptoids

Peptoids are structural analogs of peptides in which side chains are appended to the backbone nitrogen rather than the α-carbon. The sequence-defined modularity of peptoids enables precise control over structure−function relationships, enabling applications in energy storage and biomedical materials. Despite recent progress, the role of sequence and conformation on electron transport in peptoid molecules is not fully understood. Here, we synthesize a library of peptoid oligomers and characterize their molecular electronic properties using the scanning tunneling microscope-break junction (STM-BJ) technique. Our results show well-defined electron transport behavior for peptoid sequences containing aromatic side groups lacking hydrogen bonds (H-bonds) and without chemical substitutions at the N−C α position. This behavior fundamentally differs from electron transport in peptides, where H-bond interactions give rise to higher conductance states. All-atom molecular dynamics (MD) simulations are used to understand the conformational heterogeneity of peptoids, and molecular conformations obtained from MD simulations are used in quantum mechanical calculations based on the nonequilibrium Green’s function−density functional theory (NEGF-DFT) formalism. In all cases, computational results are in reasonable qualitative agreement with experiments. Our work demonstrates that the conductance behavior of peptoids depends on monomer identity, including side-chain aromaticity and substitution at the N−C α position. Overall, this work provides new insights into the structure−function relationships governing electron transport in peptoid-based materials and establishes design rules for peptoid-based molecular junctions.

Charge transport↗
DOE OSTI2026

Polymer-Grafted Nanoparticles as All-in-One Nanoplatforms

Polymer-grafted nanoparticles (PGNPs) represent a versatile class of hybrid nanomaterials, in which nanoparticle cores and tethered polymer coronas are integrated into structurally programmable building blocks. Rapid advances in nanoparticle surface functionalization and surface-initiated polymerization have enabled increasingly precise control over the nanoparticle core composition and brush architecture, greatly expanding the accessible structural and functional landscape of PGNPs. This review summarizes recent progress in the modular design and structural regulation of PGNPs, with an emphasis on nanoparticle platforms and associated surface functionalization strategies, polymer brush synthesis and architectural control, and the structure−property relationships that govern PGNP behavior. Emerging applications are further highlighted, including additive manufacturing, self-healing materials, membrane-based gas separations, and battery-related systems, where PGNPs provide unique opportunities to couple nanoscale interfacial design with macroscopic performance. Finally, future opportunities are discussed for extending PGNP concepts to increasingly complex, multifunctional, and application-oriented hybrid materials.

functional nanocomposites↗
DOE OSTI2015

Femtosecond laser-induced size reduction of carbon nanodots in solution: Effect of laser fluence, spot size, and irradiation time

Photoluminescent carbon nanodots (C-dots) with size tunability and uniformity were fabricated in polyethylene glycol (PEG{sub 200N}) solution using femtosecond laser ablation method. The size distributions and photoluminescence (PL) properties of C-dots are well controlled by adjusting the combined parameters of laser fluence, spot size, and irradiation time. The size reduction efficiency of the C-dots progressively increases with decreasing laser fluence and spot size. The optimal PL spectra are red-shifted and the quantum yields decrease with the increase in C-dots size, which could be attributed to the more complex surface functional groups attached on C-dots induced at higher laser fluence and larger spot size. Moreover, an increase in irradiation time leads to a decrease in size of C-dots, but long-time irradiation will result in the generation of complex functional groups on C-dots, subsequently the PL spectra are red-shifted.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Why many polymers are so fragile: A new perspective

Many polymers exhibit much steeper temperature dependence of their structural relaxation time (higher fragility) than liquids of small molecules, and the mechanism of this unusually high fragility in polymers remains a puzzle. To reveal additional hints for understanding the underlying mechanism, we analyzed correlation of many properties of polymers to their fragility on example of model polymer polystyrene with various molecular weights (MWs). Here, we demonstrate that these correlations work for short chains (oligomers), but fail progressively with increase in MW. Our surprising discovery is that the steepness of the temperature dependence (fragility) of the viscosity that is determined by chain relaxation follows the correlations at all molecular weights. These results suggest that the molecular level relaxation still follows the behavior usual for small molecules even in polymers, and its fragility (chain fragility) falls in the range usual for molecular liquids. It is the segmental relaxation that has this unusually high fragility. We also speculate that many polymers cannot reach an ergodic state on the time scale of segmental dynamics due to chain connectivity and rigidity. This leads to sharper decrease in accessible configurational entropy upon cooling and results in steeper temperature dependence of segmental relaxation. Our proposed scenario provides a new important insight into the specifics of polymer dynamics: the role of ergodicity time and length scale. At the end, we suggest that a similar scenario can be applicable also to other molecular systems with slow intra-molecular degrees of freedom and to chemically complex systems where the time scale of chemical fluctuations can be longer than the time scale of structural relaxation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Unraveling the structure of molten salts: a review of high-energy x-ray diffraction (HEXRD) studies

High energy x-ray diffraction (HEXRD) has emerged as a pivotal technique for examining the structural properties of molten salts, which play vital roles in various high-temperature applications, such as energy storage, nuclear reactors, and metallurgy. This review provides a comprehensive analysis of recent progress in HEXRD studies of various molten salt systems, including molten halide salts, their mixtures, and salts with molecular anions, focusing on the insights into their atomic-scale arrangements. Additionally, we discuss methodological advancements that have improved the resolution and accuracy of HEXRD measurements, as well as recent developments in computational simulations, such as machine learning interatomic potentials, for interpreting results. This review aims to serve as a valuable resource for researchers in this field, offering a detailed overview of the progress of HEXRD studies of molten salts and suggesting pathways for further exploration.

Blockmon, Avery L. [Argonne National Laboratory (A↗
DOE OSTI2013

Towards the Little Bang Standard Model

I review recent progress in developing a complete dynamical model for the evolution of the Little Bang fireballs created in relativistic heavy-ion collisions, and using the model to extract the transport properties and initial density fluctuations of the liquid quark-gluon plasma state of matter of which makes up these Little Bangs during the first half of their lives.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Utah FORGE 4-2541: Optimization and Validation of a Plug-and-Perf Stimulation Treatment Design - Workshop Presentation

This is a presentation on the Optimization and Validation of a Plug-and-Perf Stimulation Treatment Design at Utah FORGE project by Fervo Energy, presented by Sireesh Dadi. The project's objective was to develop a multistage hydraulic stimulation approach designed specifically to target the top three factors that control the technical and commercial viability of an EGS system. These factors include: achieving sufficient injectivity to support high cross-well flow rates, distributing flow evenly across the wellbore and reservoir, and overcoming the effects of stress heterogeneity, stress shadowing, and variations in natural fracture properties during the stimulation treatment. This presentation was featured in the Utah FORGE R&D Annual Workshop on September 7, 2023. The workshop provided a valuable opportunity to explore the progress made in each of the 17 Research and Development projects funded under Solicitation 2020-1 which aim to enhance our understanding of the crucial factors influencing the development of Enhanced Geothermal Systems (EGS) reservoirs and resources.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Identifying Performance Advantaged Biobased Chemicals Utilizing Bioprivileged Molecules (Final Report)

Two technology areas were advanced; a) novel molecules with improved performance in the end use application of organic corrosion inhibitors and flame retardant nylon polymers and b) development of a systematic process for identifying biomass-derived molecules with improved performance in end use applications. In total 17 novel organic corrosion inhibitors were identified that had significantly better performance than the commercial reference organic corrosion inhibitor and 7 novel nylons were synthesized with improved flame retardant properties relative to standard nylon-6,6. While an end-to-end systematic process for identifying biomass-derived molecules with improved end use performance was not completed, important progress was made computational tools for mining chemical structures from the literature and databases as well as establishing reaction network generation algorithms to aid in the discovery of novel molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Identifying Performance Advantaged Biobased Chemicals Utilizing Bioprivileged Molecules

Two technology areas were advanced; a) novel molecules with improved performance in the end use application of organic corrosion inhibitors and flame retardant nylon polymers and b) development of a systematic process for identifying biomass-derived molecules with improved performance in end use applications. In total 17 novel organic corrosion inhibitors were identified that had significantly better performance than the commercial reference organic corrosion inhibitor and 7 novel nylons were synthesized with improved flame retardant properties relative to standard nylon-6,6. While an end-to-end systematic process for identifying biomass-derived molecules with improved end use performance was not completed, important progress was made computational tools for mining chemical structures from the literature and databases as well as establishing reaction network generation algorithms to aid in the discovery of novel molecules.

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

Molten Salt Electrodeposition: Review

Molten salt electrodeposition is the process of producing impressively dense deposits of refractory metals using the electrolysis of molten salts. However, predicting which electrochemical parameters and setup will best control different kinds of deposition (density, homogeneity, etc.) is an ongoing challenge, due to our limited understanding of the properties and mechanisms that drive molten salt electrodeposition. Because these advancements have been made rapidly and in different arenas, it is worth taking the time to stop and assess the progress of the field as a whole. These advancements have increasing relevance for the energy sector, the development of space materials and engineering applications. In this review, we assess four critical facets of this field: (1) how the current understanding of process variables enhances the electrodeposition of various molten salts and the quality of the resulting product; (2) how the electrochemical setup and the process parameters (e.g., cell reactions) are known to impact the electrodeposition of different metal coatings and refractory-metal coatings; (3) the benefits and drawbacks of non-aqueous molten salt electrodeposition, and (4) promising future avenues of research. The aim of this work is to enhance our understanding of the many procedures and variables that have been developed to date. The expectation is that this review will act as a stimulant, motivating scientists to delve further into the investigation of refractory-metal alloys by utilizing molten salt electrodeposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

SNICAR-ADv4: a physically based radiative transfer model to represent the spectral albedo of glacier ice

Abstract. Accurate modeling of cryospheric surface albedo is essential for our understanding of climate change as snow and ice surfaces regulate the global radiative budget and sea-level through their albedo and mass balance. Although significant progress has been made using physical principles to represent the dynamic albedo of snow, models of glacier ice albedo tend to be heavily parameterized and not explicitly connected with physical properties that govern albedo, such as the number and size of air bubbles, specific surface area (SSA), presence of abiotic and biotic light absorbing constituents (LACs), and characteristics of any overlying snow. Here, we introduce SNICAR-ADv4, an extension of the multi-layer two-stream delta-Eddington radiative transfer model with the adding–doubling solver that has been previously applied to represent snow and sea-ice spectral albedo. SNICAR-ADv4 treats spectrally resolved Fresnel reflectance and transmittance between overlying snow and higher-density glacier ice, scattering by air bubbles of varying sizes, and numerous types of LACs. SNICAR-ADv4 simulates a wide range of clean snow and ice broadband albedo (BBA), ranging from 0.88 for (30 µm) fine-grain snow to 0.03 for bare and bubble-free ice under direct light. Our results indicate that representing ice with a density of 650 kg m−3 as snow with no refractive Fresnel layer, as done previously, generally overestimates the BBA by an average of 0.058. However, because most naturally occurring ice surfaces are roughened “white ice”, we recommend modeling a thin snow layer over bare ice simulations. We find optimal agreement with measurements by representing cryospheric media with densities less than 650 kg m−3 as snow and larger-density media as bubbly ice with a Fresnel layer. SNICAR-ADv4 also simulates the non-linear albedo impacts from LACs with changing ice SSA, with peak impact per unit mass of LACs near SSAs of 0.1–0.01 m2 kg−1. For bare, bubble-free ice, LACs actually increase the albedo. SNICAR-ADv4 represents smooth transitions between snow, firn, and ice surfaces and accurately reproduces measured spectral albedos of a variety of glacier surfaces. This work paves the way for adapting SNICAR-ADv4 to be used in land ice model components of Earth system models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1974

Microscopic investigation of cavitation erosion damage in metals

The results of research to identify the cavitation erosion damage mechanisms at the microscopic level for three metals (aluminum, stainless steel, and titanium) representing a range of properties and microstructure are presented. The metals were exposed to cavitation generated in distilled water by a 20-kHz ultrasonic facility operating at a vibration amplitude of 2 mils. Representative properties of the metals and experimental details are summarized. Replicas of the eroded surfaces of the specimens obtained periodically during exposure were examined with a transmission electron microscope to follow progression of the erosion damage and identify dominant erosion mechanisms as a function of exposure time. Eroded surfaces of selected specimens were also examined with a scanning electron microscope to assist in the interpretation.

Hackworh, J. V.↗
NASA NTRS1980

Navy LOVA propellant development

The progress realized on evaluation of inert binder, nitramine formulations is considered with respect to their development for use as low vulnerability ammunition (LOVA) propellants. Burning rate, plasticizers, crosslink agents, physical property and vulnerability studies are discussed and some preliminary conclusions presented.

Vreatt, W. H.↗
NASA NTRS1986

Progress in the development of integrating JFET amplifiers

A new approach to infrared detector readout has appeared with the development of integrating JFET amplifiers. This brief progress report includes results on the operation of commercially available devices at a temperature of 40 K, on their sensitivity and on an effort to develop a new JFET with properties optimized for cryogenic applications. Even with presently available devices it will be shown that for applications such as the Space Infrared Telescope Facility (SIRTF), the most strigent sensitivity requirements of noise currents as low as 1 electron/sec in less than 100 seconds of integration can be met.

Low, F. J.↗
NASA NTRS1987

Studies on chemoviscosity modeling for thermosetting resins

A new analytical model for simulating chemoviscosity of thermosetting resins has been formulated. The model is developed by modifying the well-established Williams-Landel-Ferry (WLF) theory in polymer rheology for thermoplastic materials. By introducing a relationship between the glass transition temperature Tg(t) and the degree of cure alpha(t) of the resin system under cure, the WLF theory can be modified to account for the factor of reaction time. Temperature dependent functions of the modified WLF theory constants C sub 1 (t) and C sub 2 (t) were determined from the isothermal cure data. Theoretical predictions of the model for the resin under dynamic heating cure cycles were shown to compare favorably with the experimental data. This work represents progress toward establishing a chemoviscosity model which is capable of not only describing viscosity profiles accurately under various cure cycles, but also correlating viscosity data to the changes of physical properties associated with the structural transformation of the thermosetting resin systems during cure.

Bai, J. M.↗
NASA NTRS1988

Chemoviscosity modeling for thermosetting resin systems, part 3

A new analytical model for simulating chemoviscosity resin has been formulated. The model is developed by modifying the well established Williams-Landel-Ferry (WLF) theory in polymer rheology for thermoplastic materials. By introducing a relationship between the glass transition temperature (T sub g (t)) and the degree of cure alpha(t) of the resin system under cure, the WLF theory can be modified to account for the factor of reaction time. Temperature-dependent functions of the modified WLF theory parameters C sub 1 (T) and C sub 2 (T) were determined from the isothermal cure data. Theoretical predictions of the model for the resin under dynamic heating cure cycles were shown to compare favorably with the experimental data. This work represents a progress toward establishing a chemoviscosity model which is capable of not only describing viscosity profiles accurately under various cure cycles, but also correlating viscosity data to the changes of physical properties associated with the structural transformations of the thermosetting resin systems during cure.

Hou, T. H.↗
NASA NTRS1990

Intelligent processing of intermetallic composite consolidation

Intermetallic composites based upon titanium aluminide matrices and silicon carbide of aluminum oxide fibers are emerging candidates for future hypersonic vehicle airframes and engines. To tailor the properties of these 'engineered' materials for specific application, to increase process yield, and to reduce costs, 'intelligent processing of materials' (IPM) control strategies are being explored for their processing. Recent progress is evaluated in the development of predictive process models, advanced sensors and control methodologies (the components of the IPM approach) for the critical near net-shape consolidation process step of continuous fiber reinforced intermetallic composite manufacture.

Wadley, H. N. G.↗
NASA NTRS2006

Lunar base thermoelectric power station study

Under NASA's Project Prometheus, the Nuclear Systems Program, the Jet Propulsion Laboratory, Pratt & Whitney Rocketdyne, and Teledyne Energy Systems have teamed with a number of universities, under the Segmented Thermoelectric Multicouple Converter (STMC) program, to develop the next generation of advanced thermoelectric converters for space reactor power systems. Work on the STMC converter assembly has progressed to the point where the lower temperature stage of the segmented multicouple converter assembly is ready for laboratory testing and the upper stage materials have been identified and their properties are being characterized. One aspect of the program involves mission application studies to help define the potential benefits from the use of these STMC technologies for designated NASA missions such as the lunar base power station where kilowatts of power are required to maintain a permanent manned presence on the surface of the moon. A modular 50 kWe thermoelectric power station concept was developed to address a specific set of requirements developed for this mission. Previous lunar lander concepts had proposed the use of lunar regolith as in-situ radiation shielding material for a reactor power station with a one kilometer exclusion zone radius to minimize astronaut radiation dose rate levels. In the present concept, we will examine the benefits and requirements for a hermetically-sealed reactor thermoelectric power station module suspended within a man-made lunar surface cavity. The concept appears to maximize the shielding capabilities of the lunar regolith while minimizing its handling requirements. Both thermal and nuclear radiation levels from operation of the station, at its 100-m exclusion zone radius, were evaluated and found to be acceptable. Site preparation activities are reviewed and well as transport issues for this concept. The goal of the study was to review the entire life cycle of the unit to assess its technical problems and technology needs in all areas to support the development, deployment, operation and disposal of the unit.

space power↗