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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Fuel‐Driven π‐Conjugated Superstructures to Form Transient Conductive Hydrogels

Despite advances in creating dissipative materials with transient properties, such as hydrogels and active droplets, their application remains confined to temporal changes in structural properties. Developing out-of-equilibrium materials whose electronic functions are parameterized by a chemical reaction cycle is challenging. Yet, this class of materials is required to construct biomimetic materials. In contrast to traditional chemical reaction cycles that exploit molecularly dissolved building blocks at thermodynamic equilibrium, we show that fiber structures derived from reactive naphthalene diimide (NDI) building blocks can be used as resting states to form far-from-equilibrium conductive hydrogels after the addition of chemical fuels. Upon fueling the NDI-derived fibers, a dual-component activation and deactivation pathway is deduced by kinetic analysis and is absent when using a molecularly dissolved resting state. Investigating the solid-state morphologies of the structures formed throughout the fuel-driven reaction cycle using cryo-EM reveals that the resting thermodynamic fibers evolve to transient thicker fibrils and layered superstructures. We show that the transient redox-active hydrogels exhibit a nearly threefold increase in electrical conductivity upon fuel consumption before reverting to their original value over hours. In conclusion, these far-from-equilibrium materials are potential candidates in applications such as programmable biorobotics and chemical computing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Material Identification From Radiographs Without Energy Resolution

We propose a method for performing material identification from radiographs without energy-resolved measurements. Material identification has a wide variety of applications, including in biomedical imaging, nondestructive testing, and security. While existing techniques for radiographic material identification make use of dual energy sources, energy-resolving detectors, or additional (e.g., neutron) measurements, such setups are not always practical— requiring additional hardware and complicating imaging. We tackle material identification without energy resolution, allowing standard X-ray systems to provide material identification information without requiring additional hardware. Assuming a setting where the geometry of each object in the scene is known and the materials come from a known set of possible materials, we pose the problem as a combinatorial optimization with a loss function that accounts for the presence of scatter and an unknown gain and propose a branch and bound algorithm to efficiently solve it. We present experiments on both synthetic data and real, experimental data with relevance to security applications— thick, dense objects imaged with MeV X-rays. We show that material identification can be efficient and accurate, for example, in a scene with three shells (two copper, one aluminum), our algorithm ran in six minutes on a consumer-level laptop and identified the correct materials as being among the top 10 best matches out of 8,000 possibilities.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High Efficiency InGaN LEDs Emitting in Green, Amber and Beyond (Final Report)

This project focuses on developing high efficiency light emitting diodes (LEDs) with green, amber, and longer wavelengths using two compatible material systems based on III-nitride and II-IV-nitride semiconductor heterostructures. The proposed approach uses low-indium-content InGaN and ZnGeN 2 or ZnSnN 2 heterostructure quantum wells (QWs) as the active regions for high efficiency green and amber LEDs, and therefore to advance high efficiency color-mixed white LED technology. This approach takes advantage of the increased flexibility, afforded by the incorporation of the II-IV-nitrides into the III-nitride layers, to tune the QW active region to lower the emission wavelengths and to increase the electron-hole wave function overlap. This strategy paves a new way to extend the InGaN QW LED emission wavelength without using high-indium-content InGaN. An industrially preferable metalorganic chemical vapor deposition (MOCVD) method was used to develop the growth of ZnGeN 2 and ZnSnN 2 that are compatible with the InGaN growth. The unique dual chamber MOCVD instrument at OSU was used in this project. This program created an opportunity for the two institutions (The Ohio State University and Case Western Reserve University) with complementary expertise to perform this work. Two graduate students (Md Rezaul Karim (OSU) and Benthara Hewage Dinushi Jayatunga (CWRU)) gained experience in MOCVD growth and various characterization methods including scanning electron microscopy, x-ray diffraction spectroscopy, x-ray photoemission spectroscopy, Hall measurements, cathodoluminescence and photoluminescence. Both students successfully defended their PhD dissertations in April/May 2021. Both Karim and Jayatunga have joined Intel as engineers in June/July 2021. Another two graduate students Kaitian Zhang (OSU) and Chenxi Hu (CWRU) joined the project team since spring 2021 to continue on this project. They were trained on MOCVD epitaxy of InGaN QWs and materials characterization including SEM, AFM, PL, CL, XRD, Hall measurements and electroluminescence. A third student, Vijay Gopal Thirupakuzi Vangipuram (OSU), who joined the group in fall 2021 to perform LED fabrication and characterization. The key research accomplishments of the project include: (1) Successful development of MOCVD epitaxy of single crystalline ZnGeN 2 and ZnSnN 2 . MOCVD growth parameters that determine the stoichiometry of ZnGeN 2 and ZnSnN 2 films were identified. (2) Experimentally determined the band offsets between GaN/ZnGeN 2 and GaN/ZnGaSnN 2 hetero-interfaces, which agree very well with the theoretical predictions. (3) Demonstrated the incorporation of thin ZnGeN 2 layer in InGaN QWs. Proof-of-concept of the InGaN-ZnGeN 2 QW design demonstrated as much as 80 nm of red shift without increasing In composition or QW thickness. (4) InGaN/ZnGeN 2 QWs emitting at 480 nm achieved IQE of 47%. Resulted from this project, 7 journal articles were published, and 9 conference papers were presented.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A compact furnace to support in situ neutron imaging of hydrogen dynamics in yttrium hydride moderators

A compact, nuclear microreactor that utilizes low-enriched uranium fuel is a promising solution to meet U.S. energy demands in nonconventional nuclear markets such as remote and decentralized energy grids. Yttrium hydride (YHx) is a potential moderator material for a microreactor design that reduces the amount of required fuel and provides superior retention of hydrogen at high reactor operating temperatures. Hydrogen diffusion properties in YHx are highly sought after for computer model validation and reactor prototyping. To characterize hydrogen diffusion, a compact dual-zone furnace was developed at Los Alamos National Laboratory and analyzed via neutron imaging at the Los Alamos Neutron Science Center (LANSCE). The goal of these measurements is to assess hydrogen diffusion in YHx samples as a function of applied temperature gradients. Included herein is recent progress in technique and furnace developments as well as initial results from concentration- and temperature-gradient measurements at LANSCE.

Torres, James↗
DOE OSTI2024

Unusual Electrical Conductivity Enhancement in Stable n‐Type Carbon Nanotube Networks

Organic molecule-doped n-type single-walled carbon nanotube (SWCNT) networks are promising candidates for advanced energy applications, such as flexible thermoelectrics and photovoltaics. Yet charge transport in n-type SWCNTs is limited by two factors: i) charge localization impeding inter-tube transport caused by disordered mesostructure of randomly oriented SWCNTs and ii) reduction of charge carrier concentration driven by oxidation. Herein, studied the relationship between the mesostructure and thermoelectric properties of n-type SWCNTs obtained by surfactant-functionalization and polymer-dopant grafting. Surprisingly, the electrical conductivity of the polymer-doped SWCNTs keeps increasing with increasing polymer content, even after the saturation of carrier concentration, resulting in 12x higher conductivity on polymer-doping compared to surfactant-functionalization. While hopping transport typically dominates in disordered systems, it is shown that a bridging effect from the polymer causes unusual band-like conduction in polymer-doped SWCNTs. Additionally, since surfactants are essential to prevent oxidation and retain n-type over a long duration, shows that SWCNTs obtained through a dual-functionalization strategy using both polymer-dopant and surfactant, demonstrates a long-term stable high n-type thermoelectric power factor, when the surfactant amount is carefully controlled. Besides thermoelectrics, the findings are of general interest to developing stable and conductive n-type SWCNTs for various energy and electronic applications.

carbon nanotubes↗
DOE OSTI2021

Excitation spectra of quantum matter without quasiparticles. II. Random t - J models

Here, we present numerical solutions of the spectral functions of large dimension t -J models with random nearest neighbor exchange and global SU(M) spin rotation symmetry. The solutions are obtained from the saddle-point equations of the large dimension limit, followed by the large M limit. The same saddle point equations also apply to the model with all-to-all and random hopping and exchange. Such a t -J model realizes a deconfined critical state proposed as a model for the optimally doped cuprates. The large M theory involves Green’s functions for fractionalized spinons and holons carrying emergent U(1) gauge charges, obeying relations similar to those of the Sachdev-Ye-Kitaev (SYK) models. The low frequency spectral functions are compared with an analytic analysis of the operator scaling dimensions with good agreement. We also compute the low frequency and temperature behavior of experimentally observable gauge-invariant observables: the electron Green’s function, the local spin susceptibility and the optical conductivity, along with the temperature dependence of the d.c. resistivity. The time reparameterization soft mode (equivalent to the boundary graviton in holographically dual models of two-dimensional quantum gravity) makes important contributions to all observables and provides a linear-in-temperature contribution to the d.c. resistivity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

THE IMPACT OF A STATIC-MIXING NOZZLE ON UNIFORMITY IN MATERIAL EXTRUSION LARGE-SCALE ADDITIVE MANUFACTURING

There are many methods of incorporating more than one material in Additive Manufacturing (AM) processes. Oak Ridge National Laboratory has developed a unique solution that enables in-situ material switching by developing a dual-hopper feed system for Cincinnati’s Big Area Additive Manufacturing (BAAM) system. Continuous extrusion during a step-change in material feedstock results in a unique blended material transition region that exhibits a heterogeneous internal morphology. To improve mixing of materials during extrusion, a customized static-mixing nozzle was created for use with the BAAM. Single-bead transitions from Material A to B and B to A were printed with the mixing nozzle at a specified screw speed. Compositional analysis tracked the progression of the material transition as a function of extrudate volume. The resulting transition curves were compared against a standard nozzle configuration. Optical microscopy of cross sections also demonstrated that the static-mixing nozzle promoted a more uniform bead geometry as well as a more homogeneous internal structure throughout the material transition.

Brackett, James↗
DOE OSTI2024

Imaging the Meissner effect in hydride superconductors using quantum sensors

By directly altering microscopic interactions, pressure provides a powerful tuning knob for the exploration of condensed phases and geophysical phenomena. Here, the megabar regime represents an interesting frontier, in which recent discoveries include high-temperature superconductors, as well as structural and valence phase transitions. However, at such high pressures, many conventional measurement techniques fail. Here we demonstrate the ability to perform local magnetometry inside a diamond anvil cell with sub-micron spatial resolution at megabar pressures. Our approach uses a shallow layer of nitrogen-vacancy colour centres implanted directly within the anvil; crucially, we choose a crystal cut compatible with the intrinsic symmetries of the nitrogen-vacancy centre to enable functionality at megabar pressures. We apply our technique to characterize a recently discovered hydride superconductor, CeH 9 . By performing simultaneous magnetometry and electrical transport measurements, we observe the dual signatures of superconductivity: diamagnetism characteristic of the Meissner effect and a sharp drop of the resistance to near zero. By locally mapping both the diamagnetic response and flux trapping, we directly image the geometry of superconducting regions, showing marked inhomogeneities at the micron scale. Our work brings quantum sensing to the megabar frontier and enables the closed-loop optimization of superhydride materials synthesis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2008

RT-MATRIX: Measuring Total Organic Carbon by Photocatalytic Oxidation of Volatile Organic Compounds

Volatile organic compounds (VOCs) inevitably accumulate in enclosed habitats such as the International Space Station and the Crew Exploration Vehicle (CEV) as a result of human metabolism, material off-gassing, and leaking equipment. Some VOCs can negatively affect the quality of the crew's life, health, and performance; and consequently, the success of the mission. Air quality must be closely monitored to ensure a safe living and working environment. Currently, there is no reliable air quality monitoring system that meets NASA's stringent requirements for power, mass, volume, or performance. The ultimate objective of the project -- the development of a Real-Time, Miniaturized, Autonomous Total Risk Indicator System (RT.MATRIX).is to provide a portable, dual-function sensing system that simultaneously determines total organic carbon (TOC) and individual contaminants in air streams.

Source record↗
DOE OSTI2021

Pushing and Pulling: A Dual pH Trigger Controlled by Varying the Alkyl Tail Length in Heme Coordinating Peptide Amphiphiles

Some organisms in nature that undergo anaerobic respiration utilize 1D nanoscale arrays of densely packed cytochromes containing the molecule heme. The assemblies can be mimicked with 1D nanoscale fibrils composed of peptide amphiphiles designed to coordinate heme in dense arrays. To create such materials and assemblies it is critical to understand the assembly process and what controls the various aspects of hierarchical assembly. MD simulations suggest that shorter alkyl chains on the peptide lead to more dynamic structures than the peptides with longer chains that yield kinetically trapped states. The hydration parameters manifest themselves experimentally through the observation of a dual pH trigger which controls the peptide assembly rate, the heme binding affinity, and heme organization kinetics. Great strides in understanding the relative complexity of the self-assembly process in relation to incorporating a functional moiety like heme opens up many possibilities in developing abiotic assemblies for bioelectronic devices and assemblies

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

Mesh-like structure integrated core-shell-shell nanocomposites for enhanced stability and performance in carbon capture

Carbon capture is essential for mitigating climate change, yet most sorbents struggle to combine high capacity with chemical stability. Here we report core-shell-shell (CSS) nanocomposites that integrate adsorption efficiency with exceptional robustness. The design couples a metal-organic framework (MOF) core, which enriches local CO 2 concentration, with a polyamine shell that is reorganized into a porous, ordered network through entanglement with an outer covalent organic framework (COF) shell. This hierarchical architecture enables dual amine functionalization via sequential “click” and Schiff-base reactions, achieving a CO 2 uptake of 3.4 mmol g −1 at 1 bar. The COF outer layer also acts as a protective barrier, suppressing humidity interference and doubling cycling stability under simulated flue gas. Remarkably, the nanocomposites maintain structural integrity after one week in strongly acidic (3 M HNO 3 ) or basic (NaOH, pH=14) environments, underscoring their chemical resilience. By uniting high capacity, cycling durability, and environmental tolerance, this CSS strategy offers a versatile platform for next-generation carbon capture materials.

Yang, Sizhuo [Lawrence Berkeley National Laborator↗
DOE OSTI2023

Large deformation and brittle failure calculated using the dual-domain material point method

The dual domain material point (DDMP) method is explored as a candidate to be implemented in a general purpose code to perform simulations of materials with complex geometry that undergo large history-dependent deformation and failure. To test its candidacy, we study its mesh convergence, its sensitivity to mesh orientation, and its ability to handle softening and failure of a material. Simulations of large deformation and simulations of mechanical failure are performed using both DDMP and the material point method (MPM). When cell-crossing of material points is not an issue and when there are a sufficient number of material points in each computation cell, the numerical error decreases with the square of the cell size as expected for both MPM and DDMP. DDMP has reduced error compared with MPM when there are many instances of material points crossing cell boundaries due to the continuous nature of the modified gradient of the shape functions. Simulations of a specimen under tension are also performed where the background mesh is aligned and misaligned with the tension direction. MPM displays a significant mesh-dependent stress field, DDMP shows negligible mesh dependency. Despite a mesh orientation-dependent stress field from MPM, the critical tension and failure mode from both MPM and DDMP calculations have negligible mesh dependency when using a non-local failure model. If only the failure mode is important (i.e., local stresses are unimportant), MPM with a non-local failure model is a suitable method for modeling failure with small deformations. However, if local stresses are also important or if there are large deformations with many cell-crossings before failure, DDMP should be the method that is used. A needed improvement for DDMP is identified from our numerical simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Nasicon dual ion conductors for all solid-state batteries

A super ion conductor composition is disclosed. The super ion conductor composition has the general formula: A 1+x M x/2 Zr 2−x/2 (PO 4 ) 3 , where each A is independently Na or Li, M is Mn or Mg, and subscript x is from 0.5 to 3. A solid electrolyte comprising the super ion conductor composition, and a method of preparing the solid electrolyte, are also disclosed. The method comprises combining a zirconium compound, a manganese or magnesium compound, a sodium compound, and a phosphate compound to give a mixture; and calcining the mixture to give the super ion conductor composition, thereby preparing the solid electrolyte. Functional materials and devices comprising the super ion conductor composition are also disclosed, including a catholyte composition, an ion conducting solid electrolyte membrane, as well as all-solid-state batteries.

Amin, Ruhul↗
DOE OSTI2025

Carbene Functionalization of Monolayer Tungsten Disulfide for Enhanced Quantum Emission

Semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs) are promising materials for an array of applications, ranging from conventional field-effect transistors, photodetectors, and light-emitting diodes to their more recent use in quantum photonic technologies. Chemical functionalization of 2D TMDs with organic ligands and adlayers provides an additional means for customizing their electronic and optical properties. While many pathways have been reported for the chemical functionalization of 2D TMDs, their frequent reliance on solution-based methods results in limited control over adlayer thickness and coverage, thus hindering utility in high-performance applications. Here, in this study, we describe the vapor-phase functionalization of a 2D TMD with carbene ligands, specifically tungsten disulfide (WS 2 ) with N-heterocyclic carbenes (NHCs), resulting in molecularly smooth, thin, and uniform adlayers. Reacting NHCs with monolayer WS 2 reduces the broad photoluminescence background observed at cryogenic temperatures by 58%, which facilitates the detection of single-photon emitters from strained monolayer WS 2 , as indicated by second order correlation values ( g (2) ) as low as 0.17 ± 0.07. Chemical characterization coupled with density functional theory calculations suggests that the NHC adlayer has a dual defect-passivation and doping effect on monolayer WS 2 that results in enhanced single-photon emission. Overall, this study establishes vapor-phase carbene functionalization as a homogeneous surface modification scheme for tailoring the quantum emission properties of semiconducting 2D TMDs.

N-heterocyclic carbenes↗
DOE OSTI2021

Ultra-High Temperature Thermal Conductivity Measurements of a Reactive Magnesium Manganese Oxide Porous Bed Using a Transient Hot Wire Method

Pelletized magnesium manganese oxide shows promise for high temperature thermochemical energy storage. It can be thermally reduced in the temperature range between 1250 °C and 1500 °C and re-oxidized with air at typical gas-turbine inlet pressures (1–25 bar) in the temperature range between 600 °C and 1500 °C. The combined thermal and chemical volumetric energy density is approximately 2300 MJ/m3. The rate at which a thermochemical storage module can be charged is limited by heat transfer inside the solid packed bed. Hence, the effective thermal conductivity of packed beds of magnesium-manganese oxide pellets is a crucial parameter for engineering Mg-Mn-O redox storage devices. We have measured the effective thermal conductivity of a packed bed of 3.66 ± 0.516 mm sized magnesium manganese oxide (Mn to Mg molar ratio of 1:1) pellets in the temperature range of 300–1400 °C. Since the material is electrically conductive at temperatures above 600 °C, the sheathed transient hot wire method is used for measurements. Raw data is analyzed using the Blackwell solution to extract the bed thermal conductivity. The effective thermal conductivity standard deviation is less than 10% for a minimum of three repeat measurements at each temperature. Experimental results show an increase in the effective thermal conductivity with temperature from 0.50 W/m °C around 300 °C to 1.81 W/m °C close to 1400 °C. We propose a dual porosity model to express the effective thermal conductivity as a function of temperature. This model also considers the effect of radiation within the bed, as this is the dominant heat transfer mode at high temperatures. The proposed model accounts for microscale pellet porosity, macroscale bed porosity, pellet size, solid thermal conductivity (phonon transport), and radiation (photon transport). The coefficient of determination between the proposed model and the experimental results is greater than 0.90.

Engineering↗
NASA NTRS2003

Solar Thermal Propulsion Improvements at Marshall Space Flight Center

Solar Thermal Propulsion (STP) is a concept which operates by transferring solar energy to a propellant, which thermally expands through a nozzle. The specific impulse performance is about twice that of chemical combustions engines, since there is no need for an oxidizer. In orbit, an inflatable concentrator mirror captures sunlight and focuses it inside an engine absorber cavity/heat exchanger, which then heats the propellant. The primary application of STP is with upperstages taking payloads from low earth orbit to geosynchronous earth orbit or earth escape velocities. STP engines are made of high temperature materials since heat exchanger operation requires temperatures greater than 2500K. Refractory metals such as tungsten and rhenium have been examined. The materials must also be compatible with hot hydrogen propellant. MSFC has three different engine designs, made of different refractory metal materials ready to test. Future engines will be made of high temperature carbide materials, which can withstand temperatures greater than 3000K, hot hydrogen, and provide higher performance. A specific impulse greater than 1000 seconds greatly reduces the amount of required propellant. A special 1 OkW solar ground test facility was made at MSFC to test various STP engine designs. The heliostat mirror, with dual-axis gear drive, tracks and reflects sunlight to the 18 ft. diameter concentrator mirror. The concentrator then focuses sunlight through a vacuum chamber window to a small focal point inside the STP engine. The facility closely simulates how the STP engine would function in orbit. The flux intensity at the focal point is equivalent to the intensity at a distance of 7 solar radii from the sun.

Gerrish, Harold P.↗
DOE OSTI2026

Hierarchical Epoxy Structures via Tunable Polymerization-Induced Phase Separation Combined with Additive Manufacturing

Polymerization-induced phase separation (PIPS) allows for the control of thermoset morphologies and properties, enabling the tuning of domain sizes and thermomechanical response. However, its use in generating substructural features in additively manufactured materials has been limited. In this work, we combine epoxy PIPS with UV curable acrylate and rheological modifiers to print nano- to macro-phase separating materials via a two-step, dual-cure approach. This method enables direct ink write printing of hierarchical structures with both controlled morphologies through phase separation and macroscale architecture through print design. We find that formulations for phase-separating materials require judicious incorporation of additives to enable printability and to provide sufficient green strength. Atomic force microscopy-nano infrared mapping reveals tunable, reticulated nano- to micron-scale domains of the resultant multiphase materials and their morphology changes due to additives, resulting in alterations to thermomechanical and tensile properties. Shape memory behavior is also demonstrated through multimaterial additive manufacturing of epoxies with functionally graded internal morphology using active mixing techniques, highlighting this method’s ability to fabricate complex architectures with controlled morphologies and thermomechanical response.

Van Meter, Kylie E [Organic Materials Science, San↗
DOE OSTI2026

Development of Composite Photocatalyst Materials that are Highly Selective for Solar Hydrogen Production and their Evaluation in Z-Scheme Reactor Designs

The key technology gap preventing a vertically stacked dual-bed particle suspension reactor from achieving the DOE MYRD&D ultimate cost target for H 2 production remains the lack of materials in particle form factor that exhibit ≥10% solar-to-H 2 energy conversion (STH) efficiency as a suspension. Therefore, our project goals centered around strategies to increase the STH efficiency by enhancing photophysical properties of perovskite oxide particles including increased visible-light absorption, increased selectivity for electrocatalysis of the H 2 evolution reaction (HER) and the O 2 evolution reaction (OER) through development of ultrathin oxide coatings, correlating composition and structure to function, and improving understanding of multiscale transport and kinetic processes.

08 HYDROGEN↗