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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

An Integrated Approach for Hydrogen Production and Storage in Complex Hydrides of Transitional Elements and Carbonbased Nanostructural materials (Final Report)

The goal of our project is to improve solar-to-hydrogen generation efficiency of the PhotoElectroChemical (PEC) conversion process by developing photoanodes with high absorption efficiency in the visible region of the solar radiation spectrum and to increase photo-corrosion resistance of the electrode for generating hydrogen from water. To meet this goal, we synthesized nanostructured heterogeneous semiconducting photoanodes with a higher light absorption efficiency compared to that of TiO 2 and used a corrosion protective layer of TiO 2 . While the advantages of photoelectrochemical (PEC) production of hydrogen have not yet been realized, the recent developments show emergence of new nanostructural designs of photoanodes and choices of materials with significant gains in photoconversion efficiency.

14 SOLAR ENERGY↗
DOE OSTI2015

Structure and Dynamics of Domains in Ferroelectric Nanostructures. In-situ TEM Studies

The goal of this project was to explore the structure and dynamic behaviors of ferroelectric domains in ferroelectric thin films and nanostructures by advanced transmission electron microscopy (TEM) techniques in close collaboration with phase field modeling. The experimental techniques used include aberration-corrected sub-Å resolution TEM and in-situ TEM using a novel scanning tunneling microscopy (STM) - TEM holder that allows the direct observation of nucleation and dynamic evolution of ferroelectric domains under applied electric field. Specifically, this project was aimed to (1) to study the roles of static electrical boundary conditions and electrical charge in controlling the equilibrium domain structures of BiFeO 3 thin films with controlled substrate constraints, (2) to explore the fundamental mechanisms of ferroelectric domain nucleation, growth, and switching under an applied electric field in both uniform thin films and nanostructures, and to understand the roles of crystal defects such as dislocations and interfaces in these processes, (3) to understand the physics of ferroelectric domain walls and the influence of defects on the electrical switching of ferroelectric domains.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Quantum Simulations of Materials and Nanostructures (Q-SIMAN) (Final Report)

The focus of this SciDAC SAP (Scientific Application) is the development and use of quantum simulations techniques to understand materials and nanostructures at the microscopic level, predict their physical and chemical properties, and eventually design integrated materials with targeted properties. (Here the word ‘materials’ is used in a broad sense and it encompasses different thermodynamic states of matter, including solid, liquids and nanostructures.) Therefore our overarching goal is to enable scientific discoveries in the field of condensed matter and advanced materials through high performance computing.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Metal oxide core shell nanostructures as building blocks for efficient light emission (SISGR)

The objective of this research is to synthesize core-shell nano-structured metal oxide materials and investigate their structural, electronic and optical properties to understand the microscopic pathways governing the energy conversion process, thereby controlling and improving their efficiency. Specifically, the goal is to use a single metal oxide core-shell nanostructure and a single excitation source to generate photons with long emission lifetime over the entire visible spectrum and when controlled at the right ratio, generating white light. In order to achieve this goal, we need to control the energy transfer between light emitting elements, which dictates the control of their interatomic spacing and spatial distribution. We developed an economical wet chemical process to form the nanostructured core and to control the thickness and composition of the shell layers. With the help from using DOE funded synchrotron radiation facility, we delineated the growth mechanism of the nano-structured core and the shell layers, thereby enhancing our understanding of structure-property relation in these materials. Using the upconversion luminescence and the lifetime measurements as effective feedback to materials sysnthes is and integration, we demonstrated improved luminescence lifetimes of the core-shell nano-structures and quantified the optimal core-multi-shell structure with optimum shell thickness and composition. We developed a rare-earths co-doped LaPO 4 core-multishell structure in order to produce a single white light source. It was decided that the mutli-shell method would produce the largest increase in luminescence efficiency while limiting any energy transfer that may occur between the dopant ions. All samples resulted in emission spectra within the accepted range of white light generation based on the converted CIE color coordinates. The white light obtained varied between warm and cool white depending on the layering architecture, allowing for the utilization into a wide range of applications. With DOE’s overall mandate to reduce the US’s dependence on rare-earth elements, this work demonstrated how to make every RE atom count toward white light generation by controlling their spatial distribution thereby significantly reducing the amount needed. This is one approach toward reducing the dependence on RE elements and the strategies we developed can be used in discovering RE-free systems. The project is of benefit to the general public as it improves the optical efficiency of these materials, while reducing US’s dependence on RE elements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Laser Propagation in Nanostructured Ultra-Low-Density Materials

The nanostructure of very-low-density aerogels (< 10 mg/cm 3 ) affects the laser heating and propagation of the subsequent heat front. Simulations treat these materials as an atomistic medium without any structure differentiating between near-solid-density material and voids. Thus, simulations fail to predict the effects of the aerogel’s physical micro or nanostructure on the laser-matter interaction. We have designed an experiment using the GEKKO XII laser and ILE diagnostics to characterize the ionization-wave propagation and x-ray yield from aerogel and mass-matched gaseous targets as the laser passes through each. By design, the gas and aerogel targets will have identical densities and identical effective ionization states.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Self-assembly of pi-conjugated peptides in aqueous environments leading to energy-transporting bioelectronic nanostructures

The realization of new supramolecular pi-conjugated organic structures inspired and driven by peptide-based self-assembly will offer a new approach to interface with the biotic environment in a way that will help to meet many DOE-recognized grand challenges. Previously, we developed pi-conjugated peptides that undergo supramolecular self-assembly into one-dimensional (1-D) organic electronic nanomaterials under benign aqueous conditions. The intermolecular interactions among the pi-conjugated organic segments within these nanomaterials lead to defined perturbations of their optoelectronic properties and yield nanoscale conduits that support energy transport within individual nanostructures and throughout bulk macroscopic collections of nanomaterials. Our objectives for future research are to construct and study biomimetic electronic materials for energy-related technology optimized for harsher non-biological environments where peptide-driven self-assembly enhances pi-stacking within nanostructured biomaterials, as detailed in the following specific tasks: (1) synthesis and detailed optoelectronic characterization of new pi-electron units to embed within homogeneous self assembling peptides, (2) molecular and data-driven modeling of the nanomaterial aggregates and their higher-order assemblies, and (3) development of new hierarchical assembly paradigms to organize multiple electronic subunits within the nanomaterials leading to heterogeneous electronic properties (i.e. gradients and localized electric fields). These intertwined research tasks will lead to the continued development and fundamental mechanistic understanding of a powerful bioinspired materials set capable of making connections between nanoscale electronic materials and macroscopic bulk interfaces, be they those of a cell, a protein or a device.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Charge separation sensitized by advanced II-VI semiconductor nanostructures

This proposal focuses on how the composition and morphology of pure and alloyed II-VI semiconductor heterostructures control their spectroscopic and dynamical properties. The proposed research will use a combination of synthesis development, electron microscopy, time-resolved electronic spectroscopy and modeling calculations to study these nanostructures. The proposed research will examine the extent to which morphology, compression due to lattice mismatch and alloy effects can be used to tune the electron and hole energies and the spectroscopic properties of II-VI heterojunctions. It will also use synthesis, optical spectroscopy and HRTEM to examine the role of lattice mismatch and hence lattice strain in producing interfacial defects, and the extent to which defect formation can be prevented by controlling the composition profile through the particles and across the interfaces. Finally, we will study the magnitude of the surface roughness in core/shell nanostructures and the role of shell thickness variability on the inhomogeneity of interfacial charge transfer rates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Better Radiation Response and Accident Tolerance of Nanostructured Ceramic Fuel Materials?

The objective of this research is to study structural stability and fission product behavior in nanostructured ZrO 2 and CeO 2 at temperatures and irradiation conditions relevant to operation and accidental scenarios. The fundamental understanding will support the development of innovative fuel forms. Specifically, the proposed work employs novel ion irradiation approaches, complementary characterization techniques, and advanced simulation methods to perform separate and integrated effect studies that expand the fundamental understanding of: Task (1) damage evolution in ceramic fuel materials in a controlled irradiation environment with focus in the transition energy regime where simultaneous energy deposition to both atomic and electronic structures is significant; Task (2) phase and structural stability in nanostructured fuel materials to high-temperature high-dose irradiation; and Task (3) role of the grain boundaries, surface/interface properties on migration and segregation of fission products.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

NanoStructured bulk thermoelectric generator for efficient power harvesting for self-powered sensor network

The goal of the Nuclear Energy Enabling Technology Research Project is to develop efficient and reliable thermoelectric (TE) generators for self-powered wireless sensor nodes (WSNs) for nuclear applications. The power harvesting technology has crosscutting significance to all United States Department of Energy Office of Nuclear Energy research and development programs, as it will enable self-powered WSNs in multiple nuclear reactor designs and spent fuel storage facilities using thermal energy available in a nuclear power plant or spent fuel storage facility. This project addresses an important technology gap that exists in truly realizing WSNs due to the need for cables to connect to external power supplies and develop TE power harvesting devices to deliver sufficient power to drive the WSNs. The outcomes of the project will lead to significant advancement in sensors and instrumentation technology, reducing cost, improving monitoring reliability, and therefore enhancing safety. The self-powered WSNs could support the long-term safe and economical operation of all reactor designs and fuel cycle concepts, as well as spent fuel storage and many other nuclear science and engineering applications. The research is based on recent breakthroughs in high-performance nanostructured bulk (nanobulk) half-Heusler and bismuth telluride thermoelectric materials that enable high-efficiency and high-power-density direct heat-to-electricity conversion over a wide temperature range. The nanobulk TE materials that the research team has already developed yield up to a 50% increase in the TE figure of merit, ZT, compared with state-of-the-art bulk counterparts. In addition to increased efficiency, the nanostructured materials are of potentially enhanced radiation tolerance due to the increased interface densities at the nanoscale grain boundaries that serves as efficient sinks to annihilate radiation-induced, freely-migrating structural defects. This report summarizes major technical results the team achieved in this three-year project, with a focus on the results obtained in the third year of the project. The report includes results on thermoelectric materials fabrication and optimization, irradiation effect on thermoelectric materials performance, thermoelectric device simulation, fabrication and testing, wireless sensor node system simulation, and the demonstration of a wireless sensor node powered by thermoelectric generators.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Final Technical Report for DE-SC0008135, Modulating Thermal Transport Phenomena in Nanostructures via Elastic Strain at Extreme Limits of Strength

Nanoscale materials fabricated with nearly pristine crystal structure are often endowed with ultra-strength behavior, where material failure occurs at a significant fraction of its ideal limit. The thermal conductivity exhibited by such materials is also uniquely affected by the high surface-to-volume ratio at the nanoscale. The juxtaposition of the vastly increased dynamic range of elastic strain available in ultra-strength nanomaterials and altered thermal transport shows promise for tunable thermal properties. This project aims to exploit these properties of high-strength nanostructures to elucidate the coupling between large mechanical strains and thermal conductivity (both electron and phonon) leading to better understanding and control of the thermal performance in these materials. Unique fabrication methods to produce nanosized quasi-defect free single crystals and modern nanomechanical testing will be used to identify the size-dependent dynamic range of elastic strain and understand deformation mechanisms near the ideal limit. Identifying and quantifying thermal transport phenomena as a function of mechanical strain in these nanostructures will open the door to using elastic strain engineering in high-strength nanomaterials to tune thermal transport. The results of these investigations will be used to improve the performance, efficiency, and versatility of advanced thermal management and energy conversion devices with tunable response.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Emergent Phenomena in Oxide Nanostructures

The field of oxide electronics has seen tremendous growth over two decades and oxide materials find wide-ranging applications in information storage, fuel cells, batteries, and more. Phase transitions, such as magnetic and metal-to-insulator transitions, are one of the most important phenomena in oxide nanostructures. Many novel devices utilizing these phase transitions have been proposed, ranging from ultrafast switches for logic applications to low power memory structures. Yet, despite this promise and many years of research, a complete understanding of phase transitions in oxide nanostructures remains elusive. In this LDRD, we report two important observations of phase transitions. We conducted a systematic study of these transitions. Moreover, emergent quantum phenomena due to the strong correlations and interactions among the charge, orbital, and spin degrees of freedom inherent in transition metal oxides were explored. In addition, a new, fast atomic-scale chemical imaging technique developed through the characterization of these oxides is presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Controlling Superconductivity via Tunable Nanostructure Arrays

This report describes the research accomplished under the award topic of “Controlling Superconductivity via Tunable Nanostructure Arrays.” Under this program, proximity-coupled nanostructure arrays were experimentally and theoretically studied, to understand and control how collective behavior emerges in superconducting systems. The outcome of this research was the discovery and characterization of exotic phases in superconducting systems, a better understanding of how microscopic parameters lead to macroscopic behavior in key materials systems, and an improved ability to control interactions to manipulate the electronic properties of superconductors. The program was based on the idea that superconducting islands placed on a thin conductor at a separation smaller than the normal metal coherence length can support a finite Josephson coupling between the islands, where the strength of the coupling depends on the length and conductance of the intervening material. By adjusting the size, configuration, and type of islands, the correlated states, as well as the competition between them, were precisely tuned. This allowed for the clear determination of how superconductors’ critical properties, such as fundamental vortex dynamics, can be controlled.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Structure and Dynamics of Domains in Ferroelectric Nanostructures – Phase-Field Modeling (Final Technical Report)

Domain pattern formation is one of the most common phenomena in nature and is a topic of immense interest in many fields ranging from materials science and physics to chemistry and biology. This DOE sponsored research project explored the basic science concerning the thermodynamic stability of mesoscale polarization domain patterns and their temporal evolution mechanisms during formation and subsequent switching in ferroelectric nanostructures and heterostructures. The project employed the computational phase-field method in combination of microelasticity and electrostatic theories. The research was carried out in close collaboration with a number of experimental groups who used High Resolution Transmission Electron Microscopy (HRTEM), in situ TEM with Scanning Probe Microscopy (SPM), or Piezoresponse Force Microscopy (PFM) to characterize the domain structures and dynamics of ferroelectric thin films and heterostructures and who grow high-quality ferroelectric and multiferroic thin films using advanced growth techniques such as Molecular Beam Epitaxy (MBE), Pulsed Laser Deposition (PLLD), and sputtering. The research efforts of the project help establish the phase-field method as the most powerful method for understanding and predicting domain structures in ferroelectric thin films and nanostructures. The findings of the project led to the basic understanding of stability and switching mechanisms of ferroelectric domains under different mechanical boundary conditions and under either homogeneous capacitor configurations or local fields using metallic probes as electrodes and the emergence of charged domain walls during domain switching. The project predicted the spatial length scales, temperature ranges, and electromechanical conditions for different polar states in heterostructures and guided the discovery of both transient and stable novel polarization states containing vortex lattices in oxide superlattices. The project resulted in 134 journal publications and 6 PhD theses with all the PhD graduates currently working in either academia or industry within the United States. The basic understanding on the stability of mesoscale polar states and pattern evolution achieved by the project improved our ability to control and engineer properties of ferroelectric thin films and heterostructures for potential applications in nanoscale electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Coordinated Multiscale Modeling and Synthesis of Novel Nanostructured Composite Membranes for Solar Fuels Generation (Final Report)

Generation of carbon-based liquid fuels from reduction of CO 2 using solar energy requires the development of improved membranes that provide good ionic conductivity and mechanical properties while minimizing the crossover of gases and reduction products. Using closely coordinated multiscale modeling, synthesis and characterization studies we propose to investigate and develop novel nanostructured composite membranes with applications to conversion of carbon dioxide to storable chemical fuels. The envisioned proton exchange membranes (PEMs) will be based on a support of self- assembling polymer-modified nanoparticles with controllable porosity and tortuosity. The use of a nanoparticle support will provide control of transport and mechanical properties of the membranes. Tuning the copolymer modification of nanoparticles (polymer architectures, brush grafting density) will allow to optimize the ion (proton) transport via the Grotthuss mechanism through narrow hydrated channels while minimizing crossover of gases and reaction products due to the high density of the grafted brush and use of a non-ionic conducting glassy polymers to fill spaces between polymer-grafted nanoparticles. In Phase I synthesis of the copolymers and their attachment to the nanoparticle support will be guided by multiscale simulations that include atomistic molecular dynamics and continuum-level transport simulations. The former will include reactive and non-reactive atomistic simulations that will provide key insight into nanoscale polymer morphology and ion/molecular transport mechanisms need to optimize the copolymer structure. The latter will provide insight into the role of nanoparticle self-assembly on the global transport of ionic and molecular species. The proton conduction and CO 2 /methanol permeability of the membranes will be experimentally characterized as well as simulated and will be correlated with morphology and polymer structure. Prototypes of optimal membranes will be fabricated and characterized at the end of the project. Successful development of improved nanostructured composite PEMs and demonstration of the simulation-guided materials-by-design paradigm will result in our ability to design and synthesize membranes for a wide variety of solar fuels generation and related electrochemical applications.

14 SOLAR ENERGY↗
DOE OSTI2023

Theoretical Characterization of Correlated Redox Activity and Nanostructure in Hybrid Supercapacitors

Electrochemical energy storage devices such as supercapacitors, batteries, and fuel cells fundamentally rely on complex and correlated redox processes at electrode/electrolyte interfaces. Furthermore, the nanostructured morphology of high-surface area electrodes can significantly modulate this physics, and further complicates mechanistic understanding. Focusing on supercapacitor devices composed of carbon/polymer based electrodes and organic electrolytes, we will employ first-principles-based computer simulations to understand the coupling of these essential energy storage pathways occurring at the electrode/electrolyte interface. Of critical importance will be the development of theoretical methodologies to allow for the first-principles description of redox processes within electrochemical systems at fixed external voltage. Based on our hypothesis that redox activity and ion structuring is dramatically altered under nanoconfinement, we will then conduct a systematic study utilizing atomistic models of nanoporous carbon electrodes to understand the coupling of redox-activity, energy-storage, and nanostructuring for a variety of electrode morphologies.

25 ENERGY STORAGE↗
DOE OSTI2023

Polarized Resonant X-ray Scattering to Measure Molecular Orientation and Conformation in Organic Nanostructures

The ordering of organic (carbon-based) molecules into nanostructures drives useful materials properties for applications such as organic light emitting diodes, flexible batteries, and polymer nanocarriers. However, there is a current lack of techniques to measure this ordering. X-ray scattering techniques involving molecular resonances have shown promise in identifying molecular types, locations, and orientation. However, resonant soft X-ray scattering (RSoXS) techniques have not been developed even lacking basic optical models. The objectives achieved by this research were the development of methods, models, and analysis techniques that harness these resonant phenomena in X-ray scattering measurements to quantitatively probe ordering of organic molecules within devices and nanostructures. This award resulted in 11 peer reviewed publications with two others soon to be submitted. New physical models for X-ray scattering that accurately describe these complex molecular resonances enable measurements of how molecules assemble, orient and conform at the nanometer scale. These new techniques were applied to both organic electronic devices and aqueous nanoparticles being developed for hydrocarbon sequestration. This new measurement capability will enable characterization of structure-property relationships that lead to disruptive technologies of printable, stretchable, and biocompatible devices based on organic materials.

14 SOLAR ENERGY↗
DOE OSTI2024

Synthesis of Novel Hybrid Nanostructures Employing Advanced Structural Characterization Techniques

This proposal was for carrying out research on creating novel hybrid nanostructures with novel and interesting functional properties with the help of advanced structural on adding 0.001, 0.01 and 0.02 mg of Au nanoparticles. From the reflectivity measurements, and the intensities of the various order diffraction peaks from the multilayers, we were able to reconstruct the electron density profiles of the films normal to their surfaces. characterization techniques. There were 3 components to the research: (1) seeing if new hybrid nanostructures could be synthesized from Au nanoparticles and lipid multilayers (2) making artificial cells from Galactopyranose-Derived Single-Chain Amphiphiles and sponge phases of lipid/amphiphile mixtures, and (3) characterizing the pair distribution function for complex nanoparticles of melanin to understand/predict the structural colors seen in aggregates of such nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Nanostructured Alumina Forming Austenitic Alloy (NAFA) Production Using Mechanical Alloying and High-Temperature Consolidation

Alumina-forming austenitic (AFA) alloys are a promising class of nuclear materials because of their high-temperature oxidation/corrosion resistance and mechanical properties. Unfortunately, these alloys are limited in use for core material applications, and they are specifically limited for use as nuclear fuel cladding because of their high Ni-transmutation and helium generation rate in-service. Improving these alloys through a fine dispersion of oxide precipitates and thus increasing the effective irradiation sink strength of the alloy system may mitigate many of the degradation phenomena expected during alloy deployment. These phenomena include high-temperature helium embrittlement and cavity swelling for lead-cooled fast reactor applications. This work effort uses combination of conventional and advanced manufacturing approaches are being used to fabricate nanostructured AFA (NAFA) materials. As the first objective of this initiative, a conventional AFA was modified using mechanical alloying and extrusion to alter the precipitation characteristics to include a fine dispersion of nanoscale oxides intended to serve as traps for irradiation-induced point defects and transmuted He within the lattice. This analysis compared the efficacy of the conventional mechanical alloying and extrusion approach with the unalloyed AFA consolidated approach using hot isostatic pressing (HIP). It was found that, although the mechanical alloying approach is successful in producing a fine distribution of oxides within the first nanostructured AFA (NAFA-1), the distribution is heterogeneous because of the mild milling parameters used to prevent cold welding of powder to the spherical milling media. The additional dispersion of oxides, coupled with a higher volume fraction of other secondary phases in the NAFA-1, produces higher alloy strengths that range up to 600°C in comparison to the unalloyed HIP AFA, thus exceeding the operating temperature of lead-cooled fast reactors. However, the strength of the NAFA-1 is lower than that of the HIP AFA at 800°C, which is presumed to be a function of increased secondary phases from the nonoptimized AFA chemistry. Future work is planned on a newly procured NAFA-2 chemistry that is more suitable for advanced reactor applications exploring new manufacturing routes.

36 MATERIALS SCIENCE↗