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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Fully Inkjet‐Printed, 2D Materials‐Based Field‐Effect Transistor for Water Sensing

Abstract Despite significant progress in solution‐processing of 2D materials, it remains challenging to reliably print high‐performance semiconducting channels that can be efficiently modulated in a field‐effect transistor (FET). Herein, electrochemically exfoliated MoS 2 nanosheets are inkjet‐printed into ultrathin semiconducting channels, resulting in high on/off current ratios up to 10 3 . The reported printing strategy is reliable and general for thin film channel fabrication even in the presence of the ubiquitous coffee‐ring effect. Statistical modeling analysis on the printed pattern profiles suggests that a spaced parallel printing approach can overcome the coffee‐ring effect during inkjet printing, resulting in uniform 2D flake percolation networks. The uniformity of the printed features allows the MoS 2 channel to be hundreds of micrometers long, which easily accommodates the typical inkjet printing resolution of tens of micrometers, thereby enabling fully printed FETs. As a proof of concept, FET water sensors are demonstrated using printed MoS 2 as the FET channel, and printed graphene as the electrodes and the sensing area. After functionalization of the sensing area, the printed water sensor shows a selective response to Pb 2+ in water down to 2 ppb. This work paves the way for additive nanomanufacturing of FET‐based sensors and related devices using 2D nanomaterials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Laser Doppler vibrometry for piezoelectric coefficient ($d_{33}$) measurements in irradiated aluminum nitride

Sensors used for experiments in advanced reactors must survive in harsh environments. Few material systems can be used to construct sensors viable for extreme conditions. Aluminum nitride (AlN) is one such material because it has high thermal stability and radiation resistance and sustains good piezoelectric and dielectric properties at high temperatures. In this work, the piezoelectric coefficient $d_{33}$ of the AlN single-crystal with thermal and irradiation damage was investigated using an indirect method with a laser Doppler vibrometer (LDV). Surface electrodes were deposited on the AlN samples, and the vibration response of the samples to an applied voltage was monitored using the LDV as a function of the excitation frequency. The $d_{33}$ estimation was based on the excitation voltage and the thickness-mode displacement extracted from the LDV measurements. Further, six AlN substrates were irradiated with 8 MeV Al 2+ at three fluences (10 15 , 10 16 , and 10 17 ions/cm 2 ) and two temperatures (300 °C and 500 °C). The $d_{33}$ for the six irradiated samples and one pristine sample were measured, and the measurement uncertainty was estimated based on five repeated tests. All samples were also measured by a commercial piezometer for comparison. The experimental results demonstrate that the piezoelectric coefficients obtained by LDV were about 0.8–1.16 pm/V lower than those obtained by the piezometer. With the compensation of the clamping effect, the corrected LDV values are similar to the piezometer results. Both show similar trends in all samples, which validates the feasibility of the proposed method for $d_{33}$ measurement. Based on the LDV results, the irradiated samples show a 12%–22% decrease in $d_{33}$ compared with the pristine samples. The samples irradiated under the same fluence at a higher temperature (500 °C) demonstrated a lower $d_{33}$ than those at 300 °C. The effect of the retro-reflective tape, sample temperature, and sample size on the $d_{33}$ measurement were also studied.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Neutron calorimeter development at fission and fusion pulsed neutron sources

A neutron calorimeter fielded in pulsed neutron irradiation experiments at the National Ignition Facility (NIF) and White Sands Missile Range Fast Burst Reactor (WSMR FBR) is described, and results are provided and discussed. The calorimeter is modular in design to allow fielding of various neutron absorber materials and thicknesses, as well as use at both fission and fusion sources, all of which has been done. Neutron calorimeters designed for fission sources have been fielded at fusion sources as well, but these instances are not documented in available literature—making this work novel. The functional calorimeter consists of a neutron absorber and two sheathed, grounded thermocouples secured within a subassembly made of thermally insulating materials. This subassembly is placed into a sealed vessel for material and facility safety considerations. The device was fielded at NIF in four polar-direct-drive exploding pusher shots and eleven WSMR FBR pulses. Calorimeter data from NIF experiments show a discernable thermal response accredited to neutron heating within the first 10 s, but the data are dominated by noise from ambient X-ray heating after time = 10 s post-pulse. This response is highly consistent between shots and linearly related to incident neutron fluence and neutron absorber thickness. A temperature rise of 1.1E-2 K/(10 13 neutrons/cm 2 ) per millimeter of absorber thickness was determined for both 0.4 mm and 1 mm thick depleted uranium absorbers with linear best fit R 2 of 0.97 and 0.98 for each thickness and y-axis offsets of 8.8E-3 and 1.3E-2, respectively. WSMR FBR experiment data show a temperature rise of 6.2E-2 K/(10 13 neutrons/cm 2 ) with linear best fit R 2 of 0.14 and y-axis offset of 7.6E-3 for a calorimeter with a 1 mm thick enriched boron carbide ( 10 B 4 C) absorber, though it must be noted that device-to-device variability is significant at both facilities. So these data are also affected by noise on a similar timescale as at NIF, though the noise is significantly lesser in magnitude but oscillatory.

42 ENGINEERING↗
DOE OSTI2023

Quasi-Random Multimetallic Nanoparticle Arrays

Here, this paper describes a nanofabrication procedure that can generate multiscale substrates with quasi-random microregions of nanoparticle arrays having different periodicities and metals. We combine cycles of large-area nanoparticle array fabrication with solvent-assisted wrinkle lithography to mask and etch quasi-random areas of prefabricated nanoparticles to control the fill factors of the arrays. The approach is highly flexible, and parameters, including nanoparticle size and material, array geometry, and fill factor, can be tailored independently. Multimetallic nanoparticle arrays can support surface lattice resonances at fill factors as low as 20% and can function as nanoscale cavities for lasing action with as few as 10% of the nanoparticles in an array. We demonstrated that multimetallic nanoparticle substrates that combine two or three arrays with different periodicities can exhibit lasing responses over visible and near-infrared wavelengths. Our work showcases the robust optical responses of multimetallic and periodic devices for broadband light manipulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Understanding the metal-to-insulator transition in La1−xSrxCoO3−δ and its applications for neuromorphic computing

Abstract Transition metal oxides that exhibit a metal-to-insulator transition (MIT) as a function of oxygen vacancy concentration are promising systems to realize energy-efficient platforms for neuromorphic computing. However, the current lack of understanding of the microscopic mechanism driving the MIT hinders the realization of effective and stable devices. Here we investigate defective cobaltites and we unravel the structural, electronic, and magnetic changes responsible for the MIT when oxygen vacancies are introduced in the material. We show that, contrary to accepted views, cooperative structural distortions instead of local bonding changes are responsible for the MIT, and we describe the subtle interdependence of structural and magnetic transitions. Finally, we present a model, based on first principles, to predict the required electric bias to drive the transition, showing good agreement with available measurements and providing a paradigm to establish design rules for low-energy cost devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Analytical continuation of matrix-valued functions: Carathéodory formalism

Finite-temperature quantum field theories are formulated in terms of Green's functions and self-energies on the Matsubara axis. In multiorbital systems, these quantities are related to positive semidefinite matrix-valued functions of the Carathéodory and Schur class. Analysis, interpretation, and evaluation of derived quantities such as real-frequency response functions requires analytic continuation of the off-diagonal elements to the real axis. Here we derive the criteria under which such functions exist for given Matsubara data and present an interpolation algorithm that intrinsically respects their mathematical properties. For small systems with precise Matsubara data, we find that the continuation exactly recovers all off-diagonal and diagonal elements. In real-materials systems, we show that the precision of the continuation is sufficient for the analytic continuation to commute with the Dyson equation, and we show that the truncation of the off-diagonal self-energy elements leads to considerable approximation artifacts.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Mixed Stochastic-Deterministic Approach for Many-Body Perturbation Theory Calculations

Here, we present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method is easy to implement without altering the GW code, converges rapidly with stochastic parameters, and treats systems of various dimensionality and screening response. Our calculations on a 5.75° twisted MoS 2 bilayer show how large-scale GW methods include geometry relaxations and electronic correlations on an equal basis in structurally nontrivial materials.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Heat treatment study of the SiC/Ti-15-3 composite system

The oxidation and aging behaviors of a continuous fiber SiC/Ti-15V-3Cr-3Sn-3Al composite (SiC/Ti-15-3) were investigated. The aging characteristic of the composite were compared with those of the unreinforced Ti-15-3 matrix material, which was processed in the same manner as the composite. Various age hardened conditions of both the unreinforced matrix and the composite were evaluated by using optical microscopy, hardness measurements, and room temperature tensile tests (unreinforced matrix only). The Ti-15-3 material formed a thick surface oxide at temperature at or above 550 C when heat treated in air. The in situ composite matrix was softer than the unreinforced matrix for equivalent aging conditions. Both materials hardened to a maximum, then softened during overaging. The temperature at which peak aging occurred was approx. 450 C for both the in situ composite matrix and the unreinforced matrix. The room temperature elastic modulus and ultimate tensile strength of the unreinforced matrix varied as a function of aging treatment and paralleled the hardness behavior. The modulus and tensile strength showed little response to aging up to temperatures of 300 C; however, these properties increased after aging at 550 C. Aging at temperatures above 550 C resulted in a decrease in the modulus and tensile strength. The failure strain was a function of the precipitation state and of the amount of oxidation resulting from the heat treatment. Aging in air at the higher temperatures (greater than 550 C) caused the formation of a thick oxide layer and reduced the ductility. Aging in vacuum at these temperatures resulted in significantly higher ductilities. Long term exposures at 700 C caused the formation of a large grain boundary alpha-phase which reduced the ductility, even though the specimens were heat treated in vacuum.

Lerch, Bradley A.↗
NASA NTRS2001

Guidelines for the Selection of Near-Earth Thermal Environment Parameters for Spacecraft Design

Thermal analysis and design of Earth orbiting systems requires specification of three environmental thermal parameters: the direct solar irradiance, Earth's local albedo, and outgoing longwave radiance (OLR). In the early 1990s data sets from the Earth Radiation Budget Experiment were analyzed on behalf of the Space Station Program to provide an accurate description of these parameters as a function of averaging time along the orbital path. This information, documented in SSP 30425 and, in more generic form in NASA/TM-4527, enabled the specification of the proper thermal parameters for systems of various thermal response time constants. However, working with the engineering community and SSP-30425 and TM-4527 products over a number of years revealed difficulties in interpretation and application of this material. For this reason it was decided to develop this guidelines document to help resolve these issues of practical application. In the process, the data were extensively reprocessed and a new computer code, the Simple Thermal Environment Model (STEM) was developed to simplify the process of selecting the parameters for input into extreme hot and cold thermal analyses and design specifications. In the process, greatly improved values for the cold case OLR values for high inclination orbits were derived. Thermal parameters for satellites in low, medium, and high inclination low-Earth orbit and with various system thermal time constraints are recommended for analysis of extreme hot and cold conditions. Practical information as to the interpretation and application of the information and an introduction to the STEM are included. Complete documentation for STEM is found in the user's manual, in preparation.

Anderson, B. J.↗
NASA NTRS2003

Reduction of Defects in Germanium-Silicon

Crystals grown without contact with a container have far superior quality to otherwise similar crystals grown in direct contact with a container. In addition to float-zone processing, detached- Bridgman growth is a promising tool to improve crystal quality, without the limitations of float zoning or the defects introduced by normal Bridgman growth. Goals of this project include the development of the detached Bridgman process to be reproducible and well understood and to quantitatively compare the defect and impurity levels in crystals grown by these three methods. Germanium (Ge) and germanium-silicon (Ge-Si) alloys are being used. At MSFC, we are responsible for the detached Bridgman experiments intended to differentiate among proposed mechanisms of detachment, and to confirm or refine our understanding of detachment. Because the contact angle is critical to determining the conditions for detachment, the sessile drop method was used to measure the contact angles as a function of temperature and composition for a large number of substrates made of potential ampoule materials. Growth experiments have used pyrolytic boron nitride (pBN) and fused silica ampoules with the majority of the detached results occurring predictably in the pBN. Etch pit density (EPD) measurements of normal and detached Bridgman-grown Ge samples show a two order of magnitude improvement in the detached-grown samples. The nature and extent of detachment is determined by using profilometry in conjunction with optical and electron microscopy. The stability of detachment has been analyzed, and an empirical model for the conditions necessary to achieve sufficient stability to maintain detached growth for extended periods has been developed. We have investigated the effects on detachment of ampoule material, pressure difference above and below the melt, and Si concentration; samples that are nearly completely detached can be grown repeatedly in pBN. Current work is concentrated on developing a method to make in situ pressure measurements in the growth ampoules.

Source record↗
NASA NTRS2005

Materials Requirements for Advanced Propulsion Systems

NASA's mission to "reach the Moon and Mars" will be obtained only if research begins now to develop materials with expanded capabilities to reduce mass, cost and risk to the program. Current materials cannot function satisfactorily in the deep space environments and do not meet the requirements of long term space propulsion concepts for manned missions. Directed research is needed to better understand materials behavior for optimizing their processing. This research, generating a deeper understanding of material behavior, can lead to enhanced implementation of materials for future exploration vehicles. materials providing new approaches for manufacture and new options for In response to this need for more robust materials, NASA's Exploration Systems Mission Directorate (ESMD) has established a strategic research initiative dedicated to materials development supporting NASA's space propulsion needs. The Advanced Materials for Exploration (AME) element directs basic and applied research to understand material behavior and develop improved materials allowing propulsion systems to operate beyond their current limitations. This paper will discuss the approach used to direct the path of strategic research for advanced materials to ensure that the research is indeed supportive of NASA's future missions to the moon, Mars, and beyond.

Whitaker, Ann F.↗
NASA NTRS2017

Tortuosity Computations of Porous Materials using the Direct Simulation Monte Carlo

Low-density carbon fiber preforms, used as thermal protection systems (TPS) materials for planetary entry systems, have permeable, highly porous microstructures consisting of interlaced fibers. Internal gas transport in TPS is important in modeling the penetration of hot boundary-layer gases and the in-depth transport of pyrolysis and ablation products. The gas effective diffusion coefficient of a porous material must be known before the gas transport can be modeled in material response solvers; however, there are very little available data for rigid fibrous insulators used in heritage TPS.The tortuosity factor, which reflects the efficiency of the percolation paths, can be computed from the effective diffusion coefficient of a gas inside a porous material and is based on the micro-structure of the material. It is well known, that the tortuosity factor is a strong function of the Knudsen number. Due to the small characteristic scales of porous media used in TPS applications (typical pore size of the order of 50 micron), the transport of gases can occur in the rarefied and transitional regimes, at Knudsen numbers above 1. A proper way to model the gas dynamics at these conditions consists in solving the Boltzmann equation using particle-based methods that account for movement and collisions of atoms and molecules.In this work we adopt, for the first time, the Direct Simulation Monte Carlo (DSMC) method to compute the tortuosity factor of fibrous media in the rarefied regime. To enable realistic simulations of the actual transport of gases in the porous medium, digitized computational grids are obtained from X-ray micro-tomography imaging of real TPS materials. The SPARTA DSMC solver is used for simulations. Effective diffusion coefficients and tortuosity factors are obtained by computing the mean-square displacement of diffusing particles.We first apply the method to compute the tortuosity factors as a function of the Knudsen number for computationally designed materials such as random cylindrical fibers and packed bed of spheres with prescribed porosity. Results are compared to literature values obtained using random walk methods in the rarefied and transitional regime and a finite-volume method for the continuum regime. We then compute tortuosity factors for a real carbon fiber material with a transverse isotropic structure (FiberForm), quantifying differences between through-thickness and in-plain tortuosities at various Knudsen regimes.

Tortuosity↗
DOE OSTI2022

Nanoscale Control of Polar Surface Phases in Layered van der Waals CuInP 2 S 6

Antiferroelectric (AFE) materials, in which alternating dipole moments cancel out to a zero net macroscopic polarization, can be used for high-density energy storage and memory applications. The AFE phase can exist in bulk CuInP 2 Se 6 , CuBiP 2 S 6 , and a few other transition-metal thiophosphates below 200 K. The required low temperature poses challenges for practical applications. In this work, we report the coexistence of ferrielectric (FE) states and a stable surface phase that does not show piezoelectric response (“zero-response phase”) in bulk CuInP 2 S 6 at room temperature. Using piezoresponse force microscopy (PFM) tomographic imaging together with density functional theory, we find that direct and alternating voltages can locally and stably convert FE to zero-response phases and vice versa. While PFM loops show pinched hystereses reminiscent of antiferroelectricity, PFM tomography reveals that the zero-response areas form only on top of the FE phase in which the polarization vector is pointing up. Theoretical calculations suggest that the zero-response phase may correspond to AFE ordering where stacked CuInP 2 S 6 layers have alternating polarization orientations thereby leading to a net-zero polarization. Consistent with experimental findings, theory predicts that the FE polarization pointing down is robust up to the top surface, whereas FE polarization pointing up energetically favors the formation of an AFE surface layer, whose thickness is likely to be sensitive to local strains. AFE order is likely to be more robust against detrimental size effects than polar order, therefore providing additional opportunities to create multifunctional heterostructures with 2D electronic materials.

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

Correlation effects on coupled electronic and structural properties of doped rare-earth trihydrides

Rare-earth trihydride (𝑅⁢H 3 ) compounds exhibit intriguing coupled electronic and structural properties as a function of doping, hydrogen vacancies, and thermodynamic conditions. Theoretical studies of these materials typically rely on density functional theory (DFT), including the use of small supercells that may underestimate strong correlation effects and structural distortions which in turn may influence their metallicity. Here, we elucidate the roles of lattice distortions and correlation effects on the electronic properties of pristine and doped 𝑅⁢H 3 compounds by adopting DFT +U and quantum Monte Carlo (QMC) methods. Linear-response constrained DFT (LR-cDFT) methods find Hubbard U ≈ 2 eV for 𝑅 𝑑 orbitals and U ≈ 6 eV for H 𝑠 ⁡/N 𝑝 /O 𝑝 orbitals. The small U on Lu 𝑑 orbitals is consistent with QMC calculations on LuH 3 and LuH 2.875 ⁢N 0.125 . In pure face-centered-cubic (FCC) 𝑅⁢H 3 (𝑅 = Lu,Y) compounds, neither DFT nor DFT +U with the self-consistently determined U is enough to create a band gap, however a supercell with hydrogen distortions creates a small gap whose magnitude increases when performing DFT +U with self-consistently determined U values. Furthermore, correlation effects, in turn, have a moderate influence on the coupled structural and electronic properties of doped 𝑅⁢H 3 compounds and may be important when considering the competition between structural distortions and superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Cracked Solar Cell Performance Depends on Module Temperature

When cells in a crystalline silicon photovoltaic module crack, packaging materials hold the fragments together. Changes in module temperature cause cell fragments to move, allowing cracked metallization to lose and regain contact. We intentionally cracked cells in commercial PV modules and characterized the modules’ temperature-dependent electroluminescence (EL) response. Here we show that (1) metallization makes contact across cracks in a way that is temperature dependent and (2) this contact is not a function of temperature, but is hysteretic. We expect that any electro-optical characterization made at a single temperature will be misleading as to the effects of cracked cells at different temperatures. And we expect that a single temperature sweep cannot fully characterize the temperature dependence of electro-optical performance of modules with cracked cells.

crack↗
NASA NTRS1992

Composite laminated shells under internal pressure

A theoretical study is conducted of the response of filament-wound composite shells under internal pressure; a system of sixth-order ordinary differential equations is obtained by means of the cylindrically anisotropic elasticity field equations and Lekhnitskii's (1963) stress functions. The general expressions for the stresses and displacements in the laminated composite shells under internal pressure are discussed. Attention is given to the influence of the degree of material anisotropy and fiber orientation on the axial and induced twisting deformation.

Yuan, F. G.↗
NASA NTRS1994

A Fully Associative, Non-Linear Kinematic, Unified Viscoplastic Model for Titanium Based Matrices

Specific forms for both the Gibb's and complementary dissipation potentials are chosen such that a complete (i.e., fully associative) potential based multiaxial unified viscoplastic model is obtained. This model possesses one tensorial internal state variable that is associated with dislocation substructure, with an evolutionary law that has nonlinear kinematic hardening and both thermal and strain induced recovery mechanisms. A unique aspect of the present model is the inclusion of non-linear hardening through the use of a compliance operator, derived from the Gibb's potential, in the evolution law for the back stress. This non-linear tensorial operator is significant in that it allows both the flow and evolutionary laws to be fully associative (and therefore easily integrated) and greatly influences the multiaxial response under non-proportional loading paths. In addition to this nonlinear compliance operator, a new consistent, potential preserving, internal strain unloading criterion has been introduced to prevent abnormalities in the predicted stress-strain curves, which are present with nonlinear hardening formulations, during unloading and reversed loading of the external variables. Specification of an experimental program for the complete determination of the material functions and parameters for characterizing a metallic matrix, e.g., TIMETAL 21S, is given. The experiments utilized are tensile, creep, and step creep tests. Finally, a comparison of this model and a commonly used Bodner-Partom model is made on the basis of predictive accuracy and numerical efficiency.

Arnold, S. M.↗
NASA NTRS2004

Thermophysical ESEM and TEM Characterization of Carbon Fibers CTE, Spectroscopy and Roughness Studies at High Temperatures

Accurate determination of the transverse properties of carbon fibers is important for assessment and prediction of local material as well as global structural response of composite components. However the measurements are extremely difficult due to the very small diameters of the fibers (few microns only) and must be conducted within a microscope. In this work, environmental scanning electron microscope (ESEM) and transmission electron microscope (TEM) are used to determine the transverse coefficient of thermal expansion of different carbon fibers as a function of temperature.

Ochoa, Ozden O.↗