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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A New Electrode Paradigm Enabled by Co-Axial Electrospinning

A conventional electrode in a polymer electrolyte membrane fuel cell (PEMFC) often imposes competing requirements on the ionomer, which must enable efficient proton conduction while allowing sufficient oxygen transport. To address these material-level requirements, a co-axial electrospun electrode comprising of a pristine ionomer core and a multifunctional platinum-carbon-ionomer shell is introduced. By decoupling proton and oxygen transport pathways, this architecture enables independent tailoring of core and shell chemistries and their interfaces. The core-shell structure of the electrospun fibers is confirmed by microscopy, while electrochemical and transport properties are quantified using electrochemical impedance spectroscopy and limiting-current diagnostics. The co-axial fibers in their current version meet or exceed the performance of conventional ultrasonically sprayed electrode at relative humidities above 75%, enabled by improvements in non-Fickian diffusion processes. This work establishes co-axial electrospun electrodes as a versatile platform for advanced PEMFC electrodes and a wide range of electrochemical applications, including CO2 electrolysis, water electrolysis, and critical mineral separations.

08 HYDROGEN↗
DOE OSTI2025

Harnessing ferro-valleytricity in pentalayer rhombohedral graphene for memory and compute

Two-dimensional materials with multiple degrees of freedom, including spin, valleys, and orbitals, open up an exciting avenue for engineering multifunctional devices. Beyond spintronics, these degrees of freedom can lead to novel quantum effects such as valley-dependent Hall effects and orbital magnetism, which could revolutionize next-generation electronics. However, achieving independent control over valley polarization and orbital magnetism has been a challenge due to the need for large electric fields. A recent breakthrough involving pentalayer rhombohedral graphene has demonstrated the ability to individually manipulate anomalous Hall signals and orbital magnetic hysteresis, forming what is known as a valley-magnetic quartet. Here, we leverage the electrically tunable ferro-valleytricity of pentalayer rhombohedral graphene to develop nonvolatile memory and in-memory computation applications. We propose an architecture for a dense, scalable, and selector-less nonvolatile memory array that harnesses the electrically tunable ferro-valleytricity. In our designed array architecture, nondestructive read and write operations are conducted by sensing the valley state through two different pairs of terminals, allowing for independent optimization of read/write peripheral circuits. The power consumption of our PRG-based array is remarkably low, with only ∼6 nW required per write operation and ∼2.3 nW per read operation per cell. This consumption is orders of magnitude lower than that of the majority of state-of-the-art cryogenic memories. Additionally, we engineer in-memory computation by implementing majority logic operations within our proposed nonvolatile memory array without modifying the peripheral circuitry. In conclusion, our framework presents a promising pathway toward achieving ultra-dense cryogenic memory and in-memory computation capabilities.

2D materials↗
DOE OSTI2025

Machine learning-driven design and self-sensing capabilities of automotive bumper lattices for adaptive impact response

We present a novel approach to design an automotive bumper energy absorber using carbon fiber reinforced polymer composites, optimized to meet conflicting performance requirements for two distinct impact scenarios. The design must satisfy both a low-speed (2.5 mph) pendulum intrusion test, simulating vehicle-to-vehicle collisions, and a high-speed (25 mph) leg flexion test, replicating pedestrian impacts. These tests demand opposing deformation characteristics: high flexibility (deformation < 85 mm) for the former and high stiffness (deformation < 22 mm) for the latter. To address these contradictory requirements, we developed a machine learning (ML) framework for inverse optimization of lattice designs and material selection. Unlike traditional iterative design processes, our ML model directly outputs optimal design parameters and material choices based on target performance inputs. The energy absorber was fabricated using advanced additive manufacturing techniques, including extrusion deposition and digital light processing. The integration of carbon fibers provides multifunctionality to the bumper structure, enabling self-sensing capabilities through changes in electrical resistivity under compression. This electrical response demonstrates high repeatability under multiple cycles at 2% compression and exhibits distinct signatures during crack formation under high deformation. This research offers adaptive performance through innovative design methodologies and smart material integration. The approach has potential applications in various fields requiring adaptive energy absorption and real-time structural health monitoring.

Chawla, Komal [ORNL] (ORCID:0000000190327565)↗
DOE OSTI2025

Tensile and fatigue characterization of multifunctional composites

This research is part of a larger effort to develop advanced self-sensing multifunctional polymer composites that are both lightweight and high-strength, while also enabling structural damage detection, fatigue cycle monitoring, and service life prediction. These multifunctional composites are particularly sought after in the automotive industry for their potential to significantly reduce vehicle weight and simultaneously provide additional functionality like condition monitoring to enhance safety. This study examines the tensile and fatigue properties of a composite material composed of acrylonitrile butadiene styrene (ABS) polymer embedded with piezoelectric barium titanate (BaTiO3) nanoparticles. The integration of BaTiO3 nanoparticles not only supplies the material with self-sensing capabilities but also influences its mechanical properties. While a high content of BaTiO3 nanoparticles is desired to enhance sensing capacity, the brittle nature of such materials causes concerns of decreased strength characteristics. To explore this, various composite samples were fabricated with nanoparticle contents ranging from 0 wt% to 20 wt%. These samples underwent tensile testing to measure their ultimate tensile strengths and Young’s moduli. Following this, fatigue tests were conducted to generate S-N curves, which are essential for understanding the material's durability under cyclic loading. The findings from these tests assess the impact of nanoparticle content on the composite’s tensile strength and fatigue life, providing essential insights that can guide the optimization and design of future self-sensing multifunctional composites. The results suggest that 5 wt% BaTiO3 provides an optimal balance between mechanical properties and nanoparticle concentration, making it a promising composition for semi-structural applications.

Bowland, Christopher [ORNL] (ORCID:000000021229431↗
DOE OSTI2025

Green Synthesis of Multifunctional Nanomaterials

CONCLUSIONS • We demonstrate eco-friendly and green synthesis approaches of isotropic and anisotropic nanomaterials that meet our environmental stewardship needs: • Atom Economy: Maximize the incorporation of all materials used in a reaction into the final product. • Prevention: Prevent waste generation in the first place. • Less Hazardous Chemical Synthesis: Use and generate substances with low toxicity to humans and the environment. • Safer Solvents and Auxiliaries: Avoid or minimize the use of hazardous solvents.

Murph, Simona E. [Savannah River National Laborato↗
DOE OSTI2024

Multifunctional textured graphene-based coatings on elastomeric gloves for chemical protection

Nanotechnology offers a variety of new tools for the design of next-generation personal protective equipment (PPE). One example is the use of two-dimensional materials as coatings that enhance the performance and ergonomics of elastomeric gloves designed to protect users from hazardous chemicals. Desirable features in such coatings may include molecular barrier function, liquid droplet repellency, stretchability for compatibility with the elastomer, breathability, and an ultrathin profile that preserves the user's manual dexterity and tactile sensation. The present work explores the potential of engineered graphene-based films with out-of-plane texturing as a novel platform to meet these multifold requirements. Graphene-based films in different formulations were fabricated from water-borne inks by vacuum filtration and solution casting methods on glove-derived nitrile rubber substrates. The various coatings were then subjected to tests of molecular permeation by model volatile organic compounds, droplet contact angle, breathability, and mechanical stability during stretching and solvent immersion. The films dramatically improve the barrier properties of glove-derived nitrile. The out-of-plane graphene texturing imparts stretchability through microscale folding/unfolding, while also enhancing droplet repellency in some cases through a lotus-like roughening effect. The combined results suggest that engineered textured graphene-based films are a promising platform for creating multifunctional coatings for a next generation of chemically protective gloves and other elastomer-based PPE.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Elastomeric Nanocomposite with Solvent‐Free, One Step, In Situ Shear Exfoliation of Graphite to Graphene

A graphene nanoflake (GNF)‐enhanced elastomeric nanocomposite (G‐EMC) is fabricated following an innovative, cost‐effective, single‐step, in situ shear exfoliation (ISE) method from low‐cost bulk material, graphite, where uniform mixing happens simultaneously within the elastomer matrix. Electron microscopy, atomic force microscopy, and photo‐induced force microscopy results show good dispersion of GNFs with exfoliation to a few layers and uniform distribution in the elastomer matrix. X‐ray photoelectron spectroscopy analysis shows less than 1% oxygen‐containing functional groups/impurity, enhanced bonding through the formation of edge sites as fracture occurs across the GNF basal plane, and pi‐pi interactions with newly exfoliated planar basal plane surfaces of the GNFs. Raman spectroscopy results confirm the formation of GNFs with only a few layers of graphene formed by the ISE process. Fabricated 10 wt.% G‐EMC nanocomposites show a 400%–500% increase in strength and fracture toughness. And 35 wt.% G‐EMCs provide an electrical conductivity of 25.64 S m −1 and a sensor gauge factor of 45. The resulting intrinsic piezo resistivity of the fabricated nanocomposite has been exploited to fabricate a multi‐functional wired and wireless sensor for detecting different body movements, speech, human vital functions, solvents, and biomolecules.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Stabilization of Miscible Aqueous Phases via Diffusion‐Controlled Multifunctional Nanoparticle‐Ligand Complexation

Liquid‐in‐liquid structuring by harnessing miscible aqueous domains can be achieved by inducing thermodynamically defined phase separation using aqueous solutions of incompatible solutes, where immiscibility is dictated by the concentrations of the solutes. For instance, in aqueous two‐phase systems (ATPSs), the interfacial tension between the two different aqueous solutions is so small that it stabilizes the phase‐separated domains, but not their shape, thus falling short of designing tunable, robust structures. Here, we introduce a diffusion‐controlled strategy that enables liquid‐in‐liquid compartmentalization absent a thermodynamically defined interface or bulk liquid‐liquid phase separation using a barrier formed in situ at the initial contact boundary of an aqueous dispersion of multifunctional nanoparticles and a solution of multifunctional ligands in pure water or a water/alcohol mixture. The nanoparticles and ligands are entropically driven to disperse uniformly but interact at the initial contact boundary more rapidly than bulk mixing, forming a layer that establishes a barrier akin to a semi‐permeable membrane and allows the formation of tubular compartments. A wealth of opportunities is enabled by the proposed technique, where examples in separations, soft electronic devices, and ultralight porous electromagnetic shielding materials are shown.

cryogels↗
DOE OSTI2025

Multifunction Hydrophobic Ligand Engineered Cd(S, Se)/ZnS Quantum Dots for Stabilizing Highly Efficient Carbon‐Based Perovskite Solar Cells

The long-term operational stability of perovskite solar cells (PSCs) remains a key challenge impeding their commercialization, particularly due to ambient environments (e.g., moisture, oxygen, heat)-induced degradation. Carbon electrode-based PSCs have emerged as cost-effective and relatively stable alternatives to metal electrode-based devices due to carbon materials' hydrophobic behavior, yet they still lag in both long-term durability and power conversion efficiency (PCE). In this work, an ultrathin hydrophobic ligand-modified core–shell Cd(S,Se)/ZnS quantum dots (QDs) capping layer is introduced as a multifunctional interfacial modifier for carbon-electrode-based PSCs. This oleic acid ligand-modified QDs capping layer exhibits inherent hydrophobicity, effectively serving as a moisture barrier to retard perovskite degradation under ambient conditions. Furthermore, the strong interfacial bonding between the QDs and perovskite halide surfaces leads to efficient trap state passivation, reducing trap density and creating a more uniform electrical contact. The modified QDs/perovskite interface also features an elevated conduction band edge, promoting improved charge extraction. As a result, devices incorporating this quantum dot capping layer retain 98% of their initial PCE after 450 h of ambient aging and achieve a champion efficiency of 20.74%. As a result, this strategy highlights the potential of hydrophobic ligand-modified chalcogenide QDs as surface modifiers to enhance both the stability and performance of carbon-based PSCs, offering a promising route toward scalable fabrication of durable perovskite solar modules.

14 SOLAR ENERGY↗
DOE OSTI2024

In-situ kinetic study of irradiation induced crystallization in amorphous Al 2 O 3

In the last ten years amorphous alumina coatings, deposited by Pulsed Laser Deposition, emerged as potential key enabling technology in the fields of heavy liquid metal fast reactors (lead and lead-bismuth) and fusion. In the former, as coating of the steel fuel cladding and in the latter as multifunctional coating providing a barrier against tritium permeation, steel corrosion and electrical insulation. Nevertheless, a detailed knowledge of the behavior of this thermodynamically metastable material at high temperatures and under neutron irradiation is still unknown. A knowledge gap that is mandatory to fill up for the deployment of this barrier technology. In the present work, we present a first step towards this goal, by the in-situ dynamic observation of the radiation induced crystallization processes of thin films of amorphous Al 2 O 3 , induced by ion-irradiation over an extensive range of temperatures (400-800 °C). The study was performed at the Intermediate Voltage Electron Microscope (IVEM)-Tandem Facility at Argonne National Laboratory. The experimental findings allow to elucidate the dependence of the grain growth on ion dose and temperature. A kinetic approach has been used to derive the process activation energies and other important parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Utilizing Single-Crystalline Transformations for Precise Atom Placement in Multicomponent Cluster-Based Coordination Networks

The assembly of cluster or superatom building-blocks into extended solids has revolutionized materials design, enabling the synthesis of modular semiconductors with well-defined structures and tunable electronic, magnetic or optical properties. This strategy has recently advanced the synthesis of complex metal oxides with multifunctional or emergent behaviors, but precise atom placement of multiple elements with similar chemistries or preferred coordination environments remains a significant challenge. Here, in this study, we present a strategy for synthesizing polyoxometalate (POM)-based coordination networks with up to three different cations in precisely defined positions. Our approach leverages a single-crystal-to-single-crystal (SCSC) transformation in which the spatial placement of cations is governed by their availability at distinct stages of crystallization and transformation. Specifically, [ZP 5 W 30 O 110 ] (15-n)- (Z = Na + , K + , Ca 2+ , Ag + , Bi 3+ , Y 3+ , any Ln 3+ , Th 4+ ) is coordinatively assembled with various bridging metal cations (Y 3+ , any Ln 3+ , Th 4+ ). By using the encapsulated cation (Z) to "label" the POM, we track the phase-transformation and confirm the retention of single crystallinity. The integrated use of POM labeling and SCSC transformation enables rational control over cation distribution and establishes a versatile strategy for constructing multicomponent materials with high compositional and spatial precision.

Chen, Linfeng [Univ. of California, San Diego, CA ↗
DOE OSTI2024

Design and Synthesis of PtPdNiCoMn High‐Entropy Alloy Electrocatalyst for Enhanced Alkaline Hydrogen Evolution Reaction: A Theoretically Supported Predictive Design Approach

Electrocatalytic hydrogen generation requires a multifunctional electrocatalyst with abundant active sites to drive multielectron transfer reactions. High entropy alloys (HEA) are five or more-elements with high configurational entropy are considered unique materials for next-generation electrocatalysts. Here, in this work, based on new screening guidelines for catalyst selections that combine density-functional theory calculated Gibbs formation-enthalpy with bond length and electronegativity variance, a novel HEA electrocatalyst consisting of five elements, namely, Pt, Pd, Ni, Co, and Mn has been designed. By simple room temperature electrodeposition, the designed catalyst is prepared and its hydrogen evolution reaction (HER) is explored and validated through experimental and theoretical approaches. The HEA demonstrated a superior HER activity with an overpotential of 22.6 mV at -10 mA cm -2 which outperforms Pt/C commercial catalyst. No evident degradation of the material is detected even after 100 hours of continuous operation under high current density. Moreover, the HEA has shown exceptional performance in harsh electrolyte conditions such as in simulated seawater and actual seawater. Remarkably, the density-functional theory calculated Gibbs formation-enthalpy is small (≈0 eV) compared to Pt/C placing the new HEA near the apex of Trasatti's model of Volcano plot, which is also suggestive of superior HER activity.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Composition Quantification of SiGeSn Alloys Through Time-of-Flight Secondary Ion Mass Spectrometry: Calibration Methodologies and Validation With Atom Probe Tomography

Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) is a powerful technique for elemental compositional analysis and depth profiling of materials. However, it encounters the problem of matrix effects that hinder its application. In this work, we introduce a pioneering ToF-SIMS calibration method tailored for SixGeySnz ternary alloys. SixGe1-x and Ge1-zSnz binary alloys with known compositions are used as calibration reference samples. Through a systematic SIMS quantification study of SiGe and GeSn binary alloys, we unveil a linear correlation between secondary ion intensity ratio and composition ratio for both SiGe and GeSn binary alloys, effectively mitigating the matrix effects. Extracted relative sensitivity factor (RSF) value from SixGe1-x (0.07 < x < 0.83) and Ge1-zSnz (0.066 < z < 0.183) binary alloys are subsequently applied to those of SixGeySnz (0.011 < x < 0.113, 0.863 < y < 0.935 and 0.023 < z < 0.103) ternary alloys for elemental compositions quantification. These values are cross-checked by Atom Probe Tomography (APT) analysis, an indication of the great accuracy and reliability of as-developed ToF-SIMS calibration process. Furthermore, the proposed method and its reference sample selection strategy in this work provide a low-cost as well as simple-to-follow calibration route for SiGeSn composition analysis, thus driving the development of next-generation multifunctional SiGeSn-related semiconductor devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanodiamonds in Advancing Biomedical Sciences

Nanodiamonds (NDs), tetrahedral carbon frameworks with size ranging from 1 to 100 nanometers, have gained growing attention in recent years due to their distinct optical, thermal, and mechanical properties compared to other carbon nanomaterials (e.g., graphene, carbon nanotubes, carbon dots). Combined with a high surface-to-volume ratio and tunable and chemically versatile surfaces, these support broad applications across catalysis, electronics, and life sciences. Moreover, the biocompatible characteristics of NDs enable their controllable interfacial interactions with biological systems, positioning them as excellent candidates for advancing cutting-edge biomedical sciences, particularly through the engineering of efficient material-biointerfaces that facilitate optimal interactions with biological systems. Among various forms of NDs, fluorescent nanodiamonds (FNDs) have emerged as some of the most impactful and rapidly advancing materials, demonstrating strong potential in ultrasensitive spin-enhanced bioimaging, high-precision biosensing, traceable drug delivery, and quantum-enabled biomedical technologies. This Perspective introduces the key principles underlying NDs and FNDs, including their structural properties, synthesis methods, and surface functionalization strategies. It also highlights emerging biomedical applications of NDs and FNDs, with particular emphasis on neurological disorders. Last, the article discusses current challenges in advancing NDs as a multifunctional platform for neural therapies with translational potential toward clinical trials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A multifunctional technology platform for sorbent construction using polyacrylonitrile scaffolds

Polyacrylonitrile (PAN) is a synthetic polymer that shows high potential for use in a wide range of environmental remediation applications. PAN can be implemented in various ways within a batch or continuous process stream for use as a passive scaffold holding active gettering materials in place or where the PAN scaffold (e.g., beads, fiber mats, membranes) is functionalized with active chelating groups (e.g., amine, hydrazide, amidoximes, carboxyl). Application spaces covered in this review include remediation of heavy metals (e.g., Ag, As, Cd, Cr6+, Cu, Pb, Sb, and Se), high-dose fission products (e.g., 90Sr, 137Cs), radioiodine (i.e., 129I), noble gases (i.e., Xe, 85Kr), rare earths (e.g., Ce, Y), and actinides (e.g., Am, Pu, U). Methods for producing PAN composite sorbents are discussed. Options are also discussed for removing the PAN matrix following chemisorption of an active contaminant to minimize waste volumes requiring disposal.

polyacrylonitrile, composite sorbents, sulfides, a↗
DOE OSTI2024

Molecular insights into the in situ early-stage assembly of metal–organic frameworks on cellulose nanofibrils

The integration of metal–organic frameworks (MOFs) into renewable matrices, including those derived from cellulose, to create cellulose/MOF hybrids has attracted significant interest due to the synergistic combination of cellulosic biopolymer properties and MOFs' multifunctional features. The interfacial interactions between cellulose and MOF not only ensure stable bonding, but ultimately also determine the bulk physical properties of the macroscopic composites. However, the mechanistic understanding of the in situ assembly between the two materials remains unclear. In this study, we employ a combination study of synthesis, experimental characterization, and molecular dynamics simulations to explore the early-stage assembly of a cellulose/MOF hybrid. Our results revealed that the growth of MOF clusters on the 2,2,6,6-tetramethyl-1-piperidinyloxy oxidized cellulose nanofibrils (TOCNF) follows an inhomogeneous sequential transformation pathway. The carboxylates of TOCNF form coordination-like bonds with the metal ions, while the hydroxyl groups of TOCNF form hydrogen bonds with MOF ligands. These interactions provide the initial nucleation sites that mediate the growth of MOF clusters and also guide the assembly of larger MOF clusters onto the TOCNF substrate. In conclusion, the fundamental insights into the in situ assembly of MOF nanoparticles on cellulosic substrates are essential for the rational design of high-performance materials with tailored morphology and optimized properties.

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

Multifunctional Heat Pump with Energy Storage Capability

Replacing gas furnaces with heat pumps on a large scale can pose challenges to the electrical grid. It will significantly increase the demand, strain the electrical grid, especially during peak usage times. To ensure that heat pumps contribute to reducing emissions, it's essential to increase the share of renewable energy in the grid. However, the supply of renewable energy is unstable. Large scale of electrification must address the concern of grid resilience to meet necessary heating/cooling demands and shift peak electric load. All these require future heat pumps having energy storage capability. These systems can store excess energy during low-demand periods and release it during high-demand periods, reducing stress on the grid. This paper will introduce an innovative configuration, control, and laboratory investigations of a multifunctional packaged heat pump. In addition to the original indoor and outdoor air coils, the heat pump has a parallel hydronic loop with a brazed plate heat exchanger (BHP). The hydronic loop circulates hot/chilled water to store heating/cooling energy in phase change material (PCM). It is capable of space cooling, space heating, cooling energy storage/defrosting, water heating/heating energy storage with outdoor air source or indoor air source, and cooling/heating energy free discharge. The laboratory studies and breadboard unit are presented. Additionally, building energy simulation demonstrates utility cost reduction potential via charging PCM panels/ceilings during off-peak hours and releasing the energy during peak hours to mitigate the peak power consumption.

Shen, Bo↗
DOE OSTI2024

Structure Development in Cross-Linked, Soybean Oil-based Waterborne Polyurethanes

Development of waterborne polyurethanes (WPU) using bio-based sources represents a step towards sustainable materials science and industry. We synthesized bio-based cationic water-dispersed crosslinked polyurethanes from high oleic soybean oil (HOSO) polyol, isophorone diisocyanate, and methyldiethanol amine, with varying ionic group contents after neutralization with acetic acid. Our primary objective was to analyze how crosslinking affects the dispersion process and film properties in multifunctional systems. The synthesis-structure-property relationship is elucidated through comprehensive analyses of the products at different stages of the synthesis. The dispersion of the WPU particles in water must occur prior to gelation during the final preparation, leading to incomplete conversion and the formation of imperfect networks. Insight into the synthesis process and polymer structure was gained by simulating polymer network parameters. Morphological analyses using synchrotron-based X-ray scattering and atomic force microscopy revealed a hierarchical structure within the WPU films. Importantly, all the films prepared in this study, without using coalescence agents, have low water absorption and high water contact angles, demonstrating their potential for textile and leather coatings and other applications.

bio-based polymers↗