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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Low Insertion Loss and Highly Sensitive SH-SAW Sensors Based on 36° YX LiTaO 3 Through the Incorporation of Filled Microcavities

Reduction in power consumption and improvement in mass sensitivity are important considerations for surface acoustic wave (SAW) devices used in various sensing applications. Detection of minute quantities of a particular species (clinical sensing) and power requirements (wireless sensing) are two key metrics that must be optimized. In this paper, a 3-D finite element model (FEM) was employed to compare insertion loss (IL) and mass sensitivity of SAW sensors having microcavities filled with ZnO and nanocrystalline diamond to a standard two-port SAW design. Initial simulation results show that ZnO filled cavities (depth = 5 mu m) were most effective at reducing power loss Delta IL = (6.03 dB) by increasing particle displacement (acousto-electric to mechanical transduction) at the output transducer. A 100-pg/cm(2) load was applied to the sensing area of each device to evaluate mass sensitivity. Our simulations suggest that ZnO filled cavities with shallow depth (2.5 mu m) have the greatest sensitivity. The FEM simulations are used to understand the acoustic wave propagation in microcavity-based SAW sensors. The observed enhancement in mass sensitivity and power transfer is attributed to waveguiding effects and constructive interference of the scattered acoustic waves from the microcavities. Devices fabricated with microcavities similar to 1 mu m deep decreased IL by 3.306 dB compared with a standard SAW device. Additional simulations were conducted for each device configuration using the same depth in order to make a direct comparison between measured and simulated results. Our findings offer encouraging prospects for designing low IL highly sensitive microcavity-based SAW biosensors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Metamagnetism of few-layer topological antiferromagnets

MnBi 2 Te 4 (MBT) materials are a promising class of antiferromagnetic topological insulators whose films provide access to novel and technologically important topological phases, including quantum anomalous Hall states and axion insulators. MBT device behavior is expected to be sensitive to the various collinear and noncollinear magnetic phases that are accessible in applied magnetic fields. Here, we use classical Monte Carlo simulations and electronic structure models to calculate the ground state magnetic phase diagram as well as topological and optical properties for few-layer films with up to six septuple layers. Using magnetic interaction parameters appropriate for MBT, we find that it is possible to prepare a variety of different magnetic stacking sequences, some of which have sufficient symmetry to disallow nonreciprocal optical response and Hall transport coefficients. Other stacking arrangements do yield large Faraday and Kerr signals, even when the ground state Chern number vanishes.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Modeling and simulation framework for dynamic strain localization in elasto-viscoplastic metallic materials subject to large deformations

This study describes a theoretical and computational framework for the treatment of adiabatic shear band formation in rate-sensitive polycrystalline metallic materials. From a computational perspective, accurate representation of strain localization behavior has been a long-standing challenge. In addition, the underlying physical mechanisms leading to the localization of plastic deformation are still not fully understood. The proposed framework is built around an enhanced-strain finite element formulation, designed to alleviate numerical pathologies known to arise in localization problems, by allowing a localization band of given finite width (weak discontinuity) to be embedded within individual elements. The mechanical threshold strength (MTS) model is used to represent the temperature and strain rate-dependent viscoplastic response of the material. This classical flow stress model employs an internal state variable to quantify the effect of dislocation structure evolution (work hardening and recovery). In light of growing evidence suggesting that the softening effect of dynamic recrystallization may play a significant role, alongside thermal softening, in the process of shear band formation and growth, a simple dynamic recrystallization model is proposed and cast within the context of the MTS model with the aid of the aforementioned internal state variable. An initiation criterion for shear localization in rate and temperature-sensitive materials is introduced and used in the present context of high-rate loading, where material rate-dependence is pronounced and substantial temperature increases are achieved due to the dissipative nature of viscoplastic processes. In addition, explicit time integration is adopted to facilitate treatment of the dynamic problems under consideration, where strain rates in excess of 10 4 s –1 are typically attained. Two series of experiments are conducted on AISI 316L stainless steel, employing the commonly used top-hat sample geometry and the Split-Hopkinson Pressure Bar dynamic test system. Axi-symmetric finite element simulation results are compared to cross-sectional micrographs of recovered samples and experimental load–displacement results, in order to examine the performance of the proposed framework and demonstrate its effectiveness in treating the initiation and growth of adiabatic shear banding in dynamically loaded metallic materials. These comparisons demonstrate that thermal softening alone is insufficient to induce shear localization behaviors observed in some materials, such as stainless steel, and support the hypothesis that dynamic recrystallization and/or other softening mechanisms play an essential role in this process.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Ultrafast Relaxation of Charge Carriers Induced Switching in Terahertz Metamaterials

Here, we demonstrate ultrafast switching of resonant mode in terahertz metamaterials through optical excitation of radiation-damaged silicon placed in the gap of a split-ring resonator. Upon optical excitation, we observe the dynamic transition of the fundamental resonance from ON-to-OFF state on a timescale of 4 picoseconds (ps) and then fast recovery of the resonance to the ON-state within the next 20 ps. Electric field distributions in the metamaterial unit cell derived through numerical simulations clearly support our experimental observations, showing that the high electric field at the resonator gaps, responsible for inductive-capacitive (LC) resonance, completely disappears and switches OFF the resonance after being optically excited. The ultrafast switching of the metamaterial resonance is attributed to the relaxation of the photo-carriers through the defect states of radiation-damaged silicon layer. Such ultrafast material–based active control of metamaterials can lead to the ultrafast terahertz metaphotonic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Intergranular Strain Evolution During Biaxial Loading: A Multiscale FE-FFT Approach

Predicting the macroscopic and microscopic mechanical response of metals and alloys subjected to complex loading conditions necessarily requires a synergistic combination of multiscale material models and characterization techniques. This article focuses on the use of a multiscale approach to study the difference between intergranular lattice strain evolution for various grain families measured during in situ neutron diffraction on dog bone and cruciform 316L samples. At the macroscale, finite element simulations capture the complex coupling between applied forces and gauge stresses in cruciform geometries. The predicted gauge stresses are used as macroscopic boundary conditions to drive a mesoscale full-field elasto-viscoplastic fast Fourier transform crystal plasticity model. The results highlight the role of grain neighborhood on the intergranular strain evolution under uniaxial and equibiaxial loading.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Extension of the neutron scatter camera sensitivity to the ~10–200 MeV neutron energy range

The Neutron Scatter Camera (NSC) is a neutron spectrometer and imager that has been developed and improved by the Sandia National Laboratories for several years. Built for special nuclear material searches, the instrument was configured by the design to reconstruct neutron sources within the fission energy range 1–10 MeV. In this work, we present modifications that attempt to extend the NSC sensitivity to neutron energies in the range ~10–200 MeV and discuss the corresponding consequences for the event processing. We present simulation results that manifest important aspects of the NSC response to those intermediate energy neutrons. The simulation results also evidence that the instrument’s spectroscopic capabilities severely deteriorate at those energies, mainly due to the uncertainties in measuring energy, time, and distance between the two neutron scattering interactions. Furthermore, this work is motivated by the need to characterize neutron fluxes at particle accelerators as they may represent important backgrounds for neutrino experiments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Structure and glide of Lomer and Lomer-Cottrell dislocations: Atomistic simulations for model concentrated alloy solid solutions

Lomer (L) and Lomer-Cottrell (LC) dislocations have long been considered to be central to work hardening in face-centered cubic (FCC) metals and alloys. These dislocations act as barriers of motion for other dislocations, and can serve as sites for twin nucleation. Recent focus on multicomponent concentrated FCC solid solution alloys has resulted in many reported observations of LC dislocations. While these and L dislocations are expected to have a role in the mechanical behavior of these alloys, little is understood about how variations in composition and associated fault energies change the response of these dislocations under stress. Here we present atomistic simulations of L and LC dislocations in a model Cu-Ni system and find that changes in composition and applied stress conditions result in a wide variety of responses, including changes in core configuration and (100) glide. The results are compared to and extend previous literature related to the nature of L/LC core structures and how they vary with respect to intrinsic materials properties and stress states. This study also provides insights into mechanisms such as twin nucleation that could have important implications for work hardening in FCC solid-solution alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Impact of Infrared Optical Properties on Crystalline Si and Thin Film CdTe Solar Cells

Photons with energies below the photovoltaic (PV) absorber band gap do not generate current and adversely impact performance when absorbed in other solar cell components to produce heat. Here we incorporate infrared (IR) optical response in simulations for understanding thermal losses. Spectroscopic ellipsometry is used to measure Al-Si interface optical properties in Si PV. Reflectance of an Si module has been analyzed to account for encapsulant and Al-Si interface contributions. IR extended quantum efficiency simulations calculate efficiency gains / losses arising from variations in current generated and total reflectance as functions of transparent front contact material in thin film CdTe PV.

14 SOLAR ENERGY↗
NASA NTRS1991

Thermal-vacuum effects on polymer matrix composite materials

Results are presented on the thermal-vacuum response of a variety of fiber reinforced polymers matrix composites that comprised the UTIAS experiment on the LDEF satellite. Theoretical temperature-time predictions for this experiment are in excellent agreement with test data. Results also show quite clearly the effect of outgassing in the dimensional changes of these materials and the corresponding coefficients of thermal expansion. Finally, comparison with ground-based simulation tests are presented as well. Use of these data for design purposes are also given.

Tennyson, R. C.↗
NASA NTRS1996

Damage progression in Composite Structures

A computational simulation tool is used to evaluate the various stages of damage progression in composite materials during Iosipescu sheat testing. Unidirectional composite specimens with either the major or minor material axis in the load direction are considered. Damage progression characteristics are described for each specimen using two types of boundary conditions. A procedure is outlined regarding the use of computational simulation in composites testing. Iosipescu shear testing using the V-notched beam specimen is a convenient method to measure both shear strength and shear stiffness simultaneously. The evaluation of composite test response can be made more productive and informative via computational simulation of progressive damage and fracture. Computational simulation performs a complete evaluation of laminated composite fracture via assessment of ply and subply level damage/fracture processes.

Minnetyan, Levon↗
NASA NTRS2002

Design, Fabrication, and Testing of Composite Energy-Absorbing Keel Beams for General Aviation Type Aircraft

A lightweight energy-absorbing keel-beam concept was developed and retrofitted in a general aviation type aircraft to improve crashworthiness performance. The energy-absorbing beam consisted of a foam-filled cellular structure with glass fiber and hybrid glass/kevlar cell walls. Design, analysis, fabrication and testing of the keel beams prior to installation and subsequent full-scale crash testing of the aircraft are described. Factors such as material and fabrication constraints, damage tolerance, crush stress/strain response, seat-rail loading, and post crush integrity, which influenced the course of the design process are also presented. A theory similar to the one often used for ductile metal box structures was employed with appropriate modifications to estimate the sustained crush loads for the beams. This, analytical tool, coupled with dynamic finite element simulation using MSC.Dytran were the prime design and analysis tools. The validity of the theory as a reliable design tool was examined against test data from static crush tests of beam sections while the overall performance of the energy-absorbing subfloor was assessed through dynamic testing of 24 in long subfloor assemblies.

Kellas, Sotiris↗
NASA NTRS2003

Development of Aerogel Molds for Metal Casting Using Lunar and Martian Regolith

In the last few years NASA has set new priorities for research and development of technologies necessary to enable long-term presence on the Moon and Mars. Among these key technologies is what is known as in situ resource utilization, which defines all conceivable usage of mineral, liquid, gaseous, or biological resources on a visited planet. In response to this challenge, we have been focusing on developing and demonstrating the manufacturing of a specific product using Lunar and Martian soil simulants (i.e., a mold for the casting of metal and alloy parts) which will be an indispensable tool for the survival of outposts on the Moon and Mars. In addition, our purpose is to demonstrate the feasibility of using mesoporous materials such as aerogels to serve as efficient casting molds for high quality components in propulsion and other aerospace applications. The first part of the project consists of producing aerogels from the in situ resources available in Martian and Lunar soil. The approach we are investigating is to use chemical processes to solubilize silicates using organic reagents at low temperatures and then use these as precursors in the formation of aerogels for the fabrication of metal casting molds. One set of experiments consists of dissolving silica sources in basic ethylene glycol solution to form silicon glycolates. When ground silica aerogel was used as source material, a clear solution of silicon glycolate was obtained and reacted to form a gel thus proving the feasibility of this approach. The application of this process to Lunar and Martian simulants did not result in the formation of a gel; further study is in progress. In the second method acidified alcohol is reacted with the simulants to form silicate esters. Preliminary results indicate the presence of silicon alkoxide in the product distillation. However, no gel has been obtained so further characterization is ongoing. In the second part of the project, the focus has been on developing a series of aerogel plates suitable for thin plate metal casting and ingot metal castings. The influence of aerogels on thin wall metal castings was studied by placing aerogel plates into the cavities of thin sections of resin bonded sand molds. An 1 based commercial alloy ( 356) containing 7 percent Si was poured into these molds. Post-solidification studies provide evidence that aerogel inserts significantly reduce the cooling rate during solidification. The advantage of a lower rate using aerogel inserts was reflected in the reduction of casting defects such as shrinkage porosity. Quantitative results support the hypothesis that using aerogels as a mold material can offer definite advantages when used as casting thin sections. As a separate effort, silica aerogel with cylindrical cavities have been prepared and will be evaluated for casting commercial alloys.

Source record↗
DOE OSTI2024

Characterizing electron-collecting CdTe for use in a 77 ns burst-rate imager

The Keck-PAD (pixel array detector) was developed at Cornell as a burst-rate imager capable of recording images from successive electron bunches (153 ns period) from the Advanced Photon Source (APS). Both Si and hole-collecting Schottky CdTe have been successfully bonded to this ASIC (application-specific integrated circuit) and used with this frame rate. The facility upgrades at the APS will lower the bunch period to 77 ns, which will require modifications to the Keck-PAD electronics to image properly at this reduced period. In addition, operation at high X-ray energies will require a different sensor material having a shorter charge collection time. For the target energy of 40 keV for this project, simulations have shown that electron-collecting CdTe should allow >90% charge collection within 35 ns. This collection time will be sufficient to sample the signal from one frame and prepare for the next. 750 µm-thick electron-collecting Schottky CdTe has been obtained from Acrorad and bonded to two different charge-integrating ASICs developed at Cornell, the Keck-PAD and the CU-APS-PAD. Carrier mobility has been investigated using the detector response to single X-ray bunches at the Cornell High Energy Synchrotron Source and to a pulsed optical laser. The tests indicate that the collection time will meet the requirements for 77 ns imaging.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Photoinduced anisotropic lattice dynamic response and domain formation in thermoelectric SnSe

Identifying and understanding the mechanisms behind strong phonon–phonon scattering in condensed matter systems is critical to maximizing the efficiency of thermoelectric devices. To date, the leading method to address this has been to meticulously survey the full phonon dispersion of the material in order to isolate modes with anomalously large linewidth and temperature-dependence. Here we combine quantitative MeV ultrafast electron diffraction (UED) analysis with Monte Carlo based dynamic diffraction simulation and first-principles calculations to directly unveil the soft, anharmonic lattice distortions of model thermoelectric material SnSe. A small single-crystal sample is photoexcited with ultrafast optical pulses and the soft, anharmonic lattice distortions are isolated using MeV-UED as those associated with long relaxation time and large displacements. We reveal that these modes have interlayer shear strain character, induced mainly by c -axis atomic displacements, resulting in domain formation in the transient state. These findings provide an innovative approach to identify mechanisms for ultralow and anisotropic thermal conductivity and a promising route to optimizing thermoelectric devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Direct measurements of multi-photon induced nonlinear lattice dynamics in semiconductors via time-resolved x-ray scattering

Nonlinear optical phenomena in semiconductors present several fundamental problems in modern optics that are of great importance for the development of optoelectronic devices. In particular, the details of photo-induced lattice dynamics at early time-scales prior to carrier recombination remain poorly understood. We demonstrate the first integrated measurements of both optical and structural, material-dependent quantities while also inferring the bulk impulsive strain profile by using high spatial-resolution time-resolved x-ray scattering (TRXS) on bulk crystalline gallium arsenide. Our findings reveal distinctive laser-fluence dependent crystal lattice responses, which are not described by previous TRXS experiments or models. The initial linear expansion of the crystal upon laser excitation stagnates at a laser fluence corresponding to the saturation of the free carrier density before resuming expansion in a third regime at higher fluences where two-photon absorption becomes dominant. Our interpretations of the lattice dynamics as nonlinear optical effects are confirmed by numerical simulations and by additional measurements in an n-type semiconductor that allows higher-order nonlinear optical processes to be directly observed as modulations of x-ray diffraction lineshapes.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Analytical Simulation of the Effects of Local Mechanisms on the Tensile Response of CMC Minicomposites

A micromechanics-based method based on a fiber shear lag analysis was developed to analyze the fast fracture response of uncoated ceramic matrix minicomposites under room temperature conditions. The model was applied to two SiCf/SiC minicomposite systems that were fabricated by Rolls-Royce and the University of Connecticut. The analysis approach does not require the assumption that matrix cracks propagate along the entire width of the minicomposite. The ratio of the fiber slip length to the crack spacing was found to be a key parameter driving the stress level at which the proportional limit takes place and the secondary modulus. Parametric studies were performed to investigate the effect of interfacial shear stress, fiber volume fraction and percentage of the composite that remains uncracked on the proportional limit stress and the composite secondary modulus. This work will allow increased understanding of the key material mechanisms that take place during the fast fracture loading and can be expanded to provide improved analysis methods for full macro composites. simulations to simulations of a flat panel impact test, have been performed to fully exercise and evaluate the capabilities of the developed model.

Micromechanics↗
DOE OSTI2012

Coupled motion of asymmetrical tilt grain boundaries: Molecular dynamics and phase field crystal simulations

Previous simulation and experimental studies have shown that some grain boundaries (GBs) can couple to applied shear stresses and be moved by them, producing shear deformation of the lattice traversed by their motion. While this coupling effect has been well confirmed for symmetrical tilt GBs, little is known about the coupling ability of asymmetrical boundaries. In this work we apply a combination of molecular dynamics and phase field crystal simulations to investigate stress-driven motion of asymmetrical GBs between cubic crystals over the entire range of inclination angles. Our main findings are that the coupling effect exists for most of the asymmetrical GBs and that the coupling factor exhibits a non-trivial dependence on both the misorientation and inclination angles. This dependence is characterized by a discontinuous change of sign of the coupling factor, which reflects a transition between two different coupling modes over a narrow range of angles. Importantly, the magnitude of the coupling factor becomes large or divergent within this transition region, thereby giving rise to a sliding-like behavior. Our results are interpreted in terms of a diagram presenting the domains of existence of the two coupling modes and the transition region between them in the plane of misorientation and inclination angles. The simulations reveal some of the dislocation mechanisms responsible for the motion of asymmetrical tilt GBs. Furthermore, the results of this study compare favorably with existing experimental measurements and provide a theoretical ground for the design of future experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

First principles modeling of the metal-electrolyte interface: A novel approach to the study of the electrochemical interface

The research objective of this proposal is the computational modeling of the metal-electrolyte interface purely from first principles. The accurate calculation of the electrostatic potential at electrically biased metal-electrolyte interfaces is a current challenge for periodic “ab-initio” simulations. It is also an essential requisite for predicting the correspondence between the macroscopic voltage and the microscopic interfacial charge distribution in electrochemical fuel cells. This interfacial charge distribution is the result of the chemical bonding between solute and metal atoms, and therefore cannot be accurately calculated with the use of semi-empirical classical force fields. The project aims to study in detail the structure and dynamics of aqueous electrolytes at metallic interfaces taking into account the effect of the electrode potential. Another side of the project is to produce an accurate method to simulate the water/metal interface. While both experimental and theoretical surface scientists have made a lot of progress on the understanding and characterization of both atomistic structures and reactions at the solid/vacuum interface, the theoretical description of electrochemical interfaces is still lacking behind. A reason for this is that a complete and accurate first principles description of both the liquid and the metal interfaces is still computationally too expensive and complex, since their characteristics are governed by the explicit atomic and electronic structure built at the interface as a response to environmental conditions. This project will characterize in detail how different theoretical levels of modeling describer the metal/water interface. In particular the role of van der Waals interactions will be carefully analyzed and prescriptions to perform accurate simulations will be produced.

36 MATERIALS SCIENCE↗