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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Ultrahigh-power-density flexible piezoelectric energy harvester based on freestanding ferroelectric oxide thin films

Flexible piezoelectric nanogenerators are emerging as a promising solution for powering next-generation flexible electronics by converting mechanical energy into electrical energy. However, traditional ferroelectric ceramics, despite their excellent piezoelectric properties, lack flexibility; while piezoelectric polymers, although highly flexible, have low piezoelectricity. The quest to develop materials that combine high piezoelectricity with exceptional flexibility has thus become a research focus. Herein, we present a breakthrough in this field with the fabrication of freestanding (111)-oriented PbZr 0.52 Ti 0.48 O 3 single crystalline thin films, which exhibit remarkable flexibility and a high converse piezoelectric coefficient (~585 pm/V). This is achieved through water-soluble sacrificial layer to relieve substrate clamping and controlling the crystal orientation to further enhance the piezoelectric response. Our nanogenerators, constructed using these freestanding nanoscale membranes, demonstrate a record-high output power density (~63.5 mW/cm 3 ), excellent flexibility (with a strain tolerance >3.4%), and superior mechanical stability in cycling tests (>60,000 cycles). These advancements pave the way for high-performance, flexible electronic devices utilizing ferroelectric oxide thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Antimicrobial properties of a multi-component alloy

High traffic touch surfaces such as doorknobs, countertops, and handrails can be transmission points for the spread of pathogens, emphasizing the need to develop materials that actively self-sanitize. Metals are frequently used for these surfaces due to their durability, but many metals also possess antimicrobial properties which function through a variety of mechanisms. This work investigates metallic alloys comprised of several metals which individually possess antimicrobial properties, with the target of achieving broad-spectrum, rapid sanitation through synergistic activity. An entropy-motivated stabilization paradigm is proposed to prepare scalable alloys of copper, silver, nickel and cobalt. Using combinatorial sputtering, thin-film alloys were prepared on 100 mm wafers with ≈50% compositional grading of each element across the wafer. The films were then annealed and investigated for alloy stability. Antimicrobial activity testing was performed on both the as-grown alloys and the annealed films using four microorganisms—Phi6, MS2, Bacillus subtilis and Escherichia coli —as surrogates for human viral and bacterial pathogens. Testing showed that after 30 s of contact with some of the test alloys, Phi6, an enveloped, single-stranded RNA bacteriophage that serves as a SARS-CoV-2 surrogate, was reduced up to 6.9 orders of magnitude (> 99.9999%). Additionally, the non-enveloped, double-stranded DNA bacteriophage MS2, and the Gram-negative E. coli and Gram-positive B. subtilis bacterial strains showed a 5.0, 6.4, and 5.7 log reduction in activity after 30, 20 and 10 min, respectively. Antimicrobial activity in the alloy samples showed a strong dependence on the composition, with the log reduction scaling directly with the Cu content. Concentration of Cu by phase separation after annealing improved activity in some of the samples. The results motivate a variety of themes which can be leveraged to design ideal antimicrobial surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Atomic-scale insights into topotactic transformations in an extra-large-pore zeolite using time-resolved 3D electron diffraction

Understanding the atomic-scale structural dynamics of phase transformations is crucial for developing materials and tailoring their properties. However, many materials are obtained as polycrystalline powders with large unit cells and/or complex structures, making it challenging to investigate detailed structural changes using conventional X-ray diffraction techniques. Here we employ time-resolved three-dimensional electron diffraction to reveal the topotactic reactions and transformations that convert the extra-large-pore silicate zeolite ECNU-45 into ECNU-46. ECNU-45 features three-dimensional interconnecting 24 × 10 × 10-ring channels, while ECNU-46 consists of one-dimensional 24-ring channels connected to 10-ring pockets. ECNU-45 and ECNU-46 are both examples of pure silicate zeolites with pore openings larger than 22-ring. Our findings indicate changes at six distinct tetrahedral silicon sites, involving atom displacement, addition and removal of framework atoms through bond breakage and formation. This work presents the synthesis of zeolites and also provides atomic-level insights into the dynamic processes of topotactic reactions. Our results have implications for advancing materials engineering and understanding complex solid-state reactions at an atomic scale.

Inorganic chemistry↗
DOE OSTI2021

Enabling stable and high-rate cycling of a Ni-rich layered oxide cathode for lithium-ion batteries by modification with an artificial Li⁺-conducting cathode-electrolyte interphase

Ni-rich LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM811) cathodes are investigated to realize high energy density Li ion batteries for long life electric vehicle applications. However, capacity decay and thermal instability due to cathode-electrolyte interfacial degradation remain challenges that require sophisticated surface stabilization methods to address. Here, we propose a strategy, for the first time, to form an artificial Li + -conducting cathode-electrolyte interphase (ALCEI) on the NCM811 cathode surface using a nucleophilic reaction between polysulfides and vinylene carbonate (VC). Furthemore, the as-formed ALCEI layer simultaneously protects the NCM particles from electrolyte corrosion and facilitates Li + ion transport, thus enabling stable and high rate cycling of NCM811. As a result, the ALCEI-modified NCM811 cathode exhibits a high capacity (211.6 mA h g -1 at 0.1C), notable rate capability (134 mA h g -1 at 10C), and superior cycle stability (94.2% over 200 cycles at 1C). These results underscore the use of interfacial engineering in high voltage cathode material development and provide a feasible strategy for stabilizing Ni-rich cathode interfaces in practical Li ion battery applications.

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

Photosynthetic biohybrid systems for solar fuels catalysis

Photosynthetic reaction center (RC) proteins are finely tuned molecular systems optimized for solar energy conversion. RCs effectively capture and convert sunlight with near unity quantum efficiency utilizing light-induced directional electron transfer through a series of molecular cofactors embedded within the protein core to generate a long-lived charge separated state with a useable electrochemical potential. Of current interest are new strategies that couple RC chemistry to the direct synthesis of energy-rich compounds. This Feature Article highlights recent work from our lab on RC and RC-inspired hybrid systems that capture the Sun's energy and convert it to chemical energy in the form of H2, a carbon-neutral energy source derived from water. Further, biohybrids made from the Photosystem I (PSI) RC are among the best photocatalytic H2-producing protein hybrids to date. Targeted self-assembly strategies that couple abiotic catalysts to PSI translate to catalyst incorporation at intrinsic PSI sites within thylakoid membranes to achieve complete solar water-splitting systems. RC-inspired biohybrids interface synthetic photosensitizers and molecular catalysts with small proteins to create photocatalytic systems and enable the spectroscopic discernment of the structural features and electron transfer processes that underpin solar-driven proton reduction. In total, these studies showcase the incredible scientific opportunities photosynthetic biohybrid research provides for harnessing the optimal qualities of both artificial and natural photosynthetic systems and developing materials that capture, convert, and store solar energy as a fuel.

14 SOLAR ENERGY↗
DOE OSTI2023

Creep strength boosted by a high-density of stable nanoprecipitates in high-chromium steels

There is a need worldwide to develop materials for advanced power plants with steam temperatures of 700°C and above that will achieve long-term creep-rupture strength and low CO 2 emissions. The creep resistance of actual 9-12Cr steels is not enough to fulfil the engineering requirements above 600°C. In this paper, the authors report their advances in the improvement of creep properties of this type of steels by the microstructural optimization through nano-precipitation using two methodologies. 1) Applying a high temperature austenitization cycle followed by an ausforming step (thermomechanical treatment, TMT) to G91 steel, to increase the martensite dislocation density and, thus, the number density of MX precipitates (M = V,Nb; X = C,N) but at the expense of deteriorating the ductility. 2) Compositional adjustments, guided by computational thermodynamics, combined with a conventional heat treatment (no TMT), to design novel steels with a good ductility while still possessing a high number density of MX precipitates, similar to the one obtained after the TMT in G91. The microstructures have been characterized by optical, scanning and transmission electron microscopy, EBSD and atom probe tomography. The creep behaviour at 700°C has been evaluated under a load of 200 N using small punch creep tests.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Real-time characterization of dislocation slip and twinning of shock-compressed molybdenum single crystals

Characterizing the fundamental micromechanisms activated during plastic deformation is critical to explain the macroscopic shock response of materials and develop accurate material models. In this paper, we investigate the orientation dependence, and the mediated slip and twin systems on [100] and [111] bcc molybdenum single crystals shock compressed up to 18 GPa with real-time Laue x-ray diffraction measurements. We report that dislocation slip along the {110} < 111 > and {112} < 111 > systems is the governing deformation mechanism during compression with negligible anisotropy observed at the Hugoniot state. Here, we provide real-time evidence that molybdenum undergoes deformation twinning along {11¯2} < 111 > during shock release.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Surface and bulk two-level-system losses in lithium niobate acoustic resonators

Lithium niobate (LN) is a promising material for building acoustic resonators used in quantum applications, but its performance is limited by poorly understood material defects called two-level systems (TLSs). Here, in this work, we fabricate high-performance acoustic resonators from LN with quality factors up to 6 ×10 7 and use them to separate bulk and surface contributions to TLS loss. By comparing these bulk acoustic wave (BAW) resonators with previous surface-acoustic-wave and phononic-crystal studies, we show that devices with high surface-participation ratios are limited by surface TLSs, while our BAW devices reveal an intrinsic bulk TLS limit. Through systematic surface treatments and microscopy, we demonstrate that BAW resonator performance remains unchanged despite surface modifications, confirming operation in a bulk-limited regime. Here, our work establishes quantitative bounds on both surface and bulk TLS losses in LN within the context of the material growth and fabrication approaches we have pursued, and it provides guidance for future device engineering and materials development.

acoustic wave phenomena↗
DOE OSTI2018

Passive Cooling of Photovoltaics with Desiccants

As part of efforts to reduce photovoltaic (PV) costs and improve reliability/durability, temperature control needs to be closely examined in a number of ways including novel passive cooling technology. Modest PV module operating temperature reductions can increase PV power output by 10% or more. The higher the operating temperature of a typical PV device, the lower the overall PV conversion efficiency. Because some incident light is converted to heat in PV cells, the PV module heats up (typically 25 degrees C above ambient temperature in full sun), and the overall energy output of the PV system is reduced (typically a 10% power loss for every 20 degrees C to 30 degrees C increase in temperature). We are integrating material on the PV module that adsorbs water from the air at night when the PV module temperature is cool and the relative humidity in the air is typically high. This sorbed water evaporates as the PV module heats up during the day, taking the excess heat with it and thus effectively cooling the PV module (see Fig. 1). Initial experiments with this novel passive cooling have demonstrated that PV module operating temperatures may be reduced nearly 30 degrees C with evaporative cooling. In this paper, we describe 1) novel materials development, 2) initial modeling that predicts how the cooling will work in different environments, and 3) results demonstrating the PV operating temperature reductions achieved to date.

14 SOLAR ENERGY↗
DOE OSTI2019

Validation of Lifetime Models for Recuperator Foils Through Long-Term Laboratory and Engine Testing

For the next-generation of turbine-based combined heat & power (CHP) systems, materials development can enable lower costs and higher efficiency, particularly for alloy foils used in the recuperator. To quantify the potential benefits, lifetime models are being developed for current chromia-forming alloys such as 625, 120, 310 and 709 (also called 2025Nb) as well as new alumina-forming austenitic (AFA) steels, which are much more oxidation resistant in exhaust gas. A combination of long-term laboratory (up to 30 kh) and field exposure data (up to 100 kh) are being used to develop and validate the model for operation at 650°–800°C.

Dryepondt, Sebastien↗
DOE OSTI2020

The emergence of small-scale self-affine surface roughness from deformation

Most natural and man-made surfaces appear to be rough on many length scales. There is presently no unifying theory of the origin of roughness or the self-affine nature of surface topography. One likely contributor to the formation of roughness is deformation, which underlies many processes that shape surfaces such as machining, fracture, and wear. Using molecular dynamics, we simulate the biaxial compression of single-crystal Au, the high-entropy alloy Ni 36.67 Co 30 Fe 16.67 Ti 16.67 , and amorphous Cu 50 Zr 50 and show that even surfaces of homogeneous materials develop a self-affine structure. By characterizing subsurface deformation, we connect the self-affinity of the surface to the spatial correlation of deformation events occurring within the bulk and present scaling relations for the evolution of roughness with strain. These results open routes toward interpreting and engineering roughness profiles.

42 ENGINEERING↗
DOE OSTI2019

Atomically precise, custom-design origami graphene nanostructures

The construction of atomically precise carbon nanostructures holds promise for developing materials for scientific study and nanotechnology applications. Here, we show that graphene origami is an efficient way to convert graphene into atomically precise, complex nanostructures. By scanning tunneling microscope manipulation at low temperature, we repeatedly fold and unfold graphene nanoislands (GNIs) along an arbitrarily chosen direction. A bilayer graphene stack featuring a tunable twist angle and a tubular edge connection between the layers is formed. Folding single-crystal GNIs creates tubular edges with specified chirality and one-dimensional electronic features similar to those of carbon nanotubes, whereas folding bicrystal GNIs creates well-defined intramolecular junctions. Both origami structural models and electronic band structures are computed to complement analysis of the experimental results. The present atomically precise graphene origami provides a platform for constructing carbon nanostructures with engineered quantum properties and, ultimately, quantum machines.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Theoretical and Experimental Study of Current from Non-Disintegrable Suspended Particles at a Rotating Disk Electrode

Understanding the current response at an electrode from suspended solid particles in an electrolyte is crucial for developing materials to be used in semi-solid electrodes for energy storage applications. Here, an analytical model is proposed to predict and understand the current response from non-disintegrable solid particles at a rotating disk electrode. The current is shown to be limited by a combination of ion diffusion within the solid particle and the mean residence time of the particle at the rotating disk electrode. This results in a relationship between current and angular frequency of I ∝ ω 3 / 4 , instead of the classical I ∝ ω 1 / 2 predicted by Levich theory. Specifically, the current response of Li 4 Ti 5 O 12 (LTO) microparticles suspended in a non-aqueous electrolyte of lithium hexafluorophosphate (LiPF 6 ) in ethylene carbonate: diethyl carbonate (EC:DEC) was determined experimentally and compared favorably with predictions from the proposed analytical model using fitting parameters consistent with the experimental conditions.

25 ENERGY STORAGE↗
DOE OSTI2022

Evaluating Contributions of Pitch-Carbon Coating to Improved Stability of Si Anodes Through Voltage-Resolved Multi-Phase Characterization

Silicon nanoparticles have emerged as a promising alternative to graphite to improve the energy density of next-generation lithium-ion battery anodes. Nano-sized Si domains facilitate rapid ion transport and minimize particle-scale mechanical degradation, but also exhibit increased (electro)chemical reactivity with Li-ion electrolyte components due to their high surface area. We have previously demonstrated that surface modification of Si nanoparticles with pitch-carbon is an effective strategy to reduce these parasitic reactions. In the present work, we holistically evaluate the mechanistic contribution of pitch-carbon coating to the observed stability improvement over uncoated Si. We utilize coupled in situ and ex situ methods to probe changes to solid-surface, volatile headspace, and gas-phase chemistry occurring during initial cycling. Measurements taken at targeted potentials associated with electrolyte species reduction enables the decoupling of specific reaction pathways tied to interfacial stability. Further, we demonstrate the non-trivial role of gas reconsumption in dictating the nature of the passivating surface layer evolved on both uncoated and pitch-coated Si. This multi-phase analysis offers insights into the mechanism of effective surface passivation, which may be applied to inform future Si material development.

ENERGY STORAGE↗
DOE OSTI2019

The role of machine learning in scientific workflows

Machine learning (ML) is being applied in a number of everyday contexts from image recognition, to natural language processing, to autonomous vehicles, to product recommendation. In the science realm, ML is being used for medical diagnosis, new materials development, smart agriculture, DNA classification, and many others. In this article, we describe the opportunities of using ML in the area of scientific workflow management. Scientific workflows are key to today’s computational science, enabling the definition and execution of complex applications in heterogeneous and often distributed environments. We describe the challenges of composing and executing scientific workflows and identify opportunities for applying ML techniques to meet these challenges by enhancing the current workflow management system capabilities. We foresee that as the ML field progresses, the automation provided by workflow management systems will greatly increase and result in significant improvements in scientific productivity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

An On-Axis Tomography Holder for Correlative Electron and Atom Probe Microscopy

This document briefly outlines the procurement and commissioning of a Fishione Model 2050 on-axis rotational tomography specimen holder for the FEI F200X Talos Scanning Transmission Electron Microscope in Oak Ridge National Laboratory’s Low Activation Materials Development and Analysis (LAMDA) Laboratory. The Model 2050 specimen rod was successfully procured and commissioned and is now available to users.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Report on the Initial Loading of SS3 Specimens from the First Commercial Heat of Alloy 709 in Sodium Materials Test Loops for Long-term Exposure

This report provides an update on the understanding of the effects of sodium exposures on tensile properties of advanced alloy A709 in support of the design and operation of structural components in sodium-cooled fast reactors (SFRs). The report is a Level 2 deliverable in FY18(M2NT-18AN050503011), under the Work Package NT-18AN05050301, “A709 Sodium Compatibility” performed by Argonne National Laboratory (ANL), as part of the Advanced Materials Development Program for Fast Reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗