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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Cold air quench control of local crystallization environment in fully air-processed carbon-based perovskite solar cells

Carbon-based perovskite solar cells (C-PSCs) present a low-cost route to efficient photovoltaic technology. Gas quenching is an essential process commonly used for solvent extraction in scalable module fabrication using solution processes, but film quality remains highly sensitive to the localized environmental processing temperature, especially during intermediate phase transitions before perovskite film high temperature annealing. In this study, we introduce a cold air quench strategy to precisely control the local crystallization temperature that simultaneously promotes uniform crystallization and facilitates strain relaxation in fully air-processed C-PSCs. It is found that implementing dry air at 10 °C as the quenching gas yields a champion power conversion efficiency (PCE) of 20.52 %, with preferential (110) orientation and reduced, homogenized in-plane strain. This newly developed technique of a cost-effective low temperature air quenching process also enhances carrier lifetime, reduces interface recombination, and improves charge extraction. Furthermore, this work presents cold air quenching as a scalable, economic method to control perovskite crystallization and strain in C-PSC fabrication, advancing the industrial viability of high-performance perovskite modules.

14 SOLAR ENERGY↗
DOE OSTI2023

A planar defect spin sensor in a two-dimensional material susceptible to strain and electric fields

Abstract The boron-vacancy spin defect ( $${\,{{\mbox{V}}}}_{{{\mbox{B}}}\,}^{-}$$ V B − ) in hexagonal boron nitride (hBN) has a great potential as a quantum sensor in a two-dimensional material that can directly probe various external perturbations in atomic-scale proximity to the quantum sensing layer. Here, we apply first-principles calculations to determine the coupling of the $${\,{{\mbox{V}}}}_{{{\mbox{B}}}\,}^{-}$$ V B − electronic spin to strain and electric fields. Our work unravels the interplay between local piezoelectric and elastic effects contributing to the final response to the electric fields. The theoretical predictions are then used to analyse optically detected magnetic resonance (ODMR) spectra recorded on hBN crystals containing different densities of $${\,{{\mbox{V}}}}_{{{\mbox{B}}}\,}^{-}$$ V B − centres. We prove that the orthorhombic zero-field splitting parameter results from local electric fields produced by surrounding charge defects. This work paves the way towards applications of $${\,{{\mbox{V}}}}_{{{\mbox{B}}}\,}^{-}$$ V B − centres for quantitative electric field imaging and quantum sensing under pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effect of Delta and Omicron Mutations on the RBD-SD1 Domain of the Spike Protein in SARS-CoV-2 and the Omicron Mutations on RBD-ACE2 Interface Complex

The receptor-binding domain (RBD) is the essential part in the Spike-protein (S-protein) of SARS-CoV-2 virus that directly binds to the human ACE2 receptor, making it a key target for many vaccines and therapies. Therefore, any mutations at this domain could affect the efficacy of these treatments as well as the viral-cell entry mechanism. We introduce ab initio DFT-based computational study that mainly focuses on two parts: (1) Mutations effects of both Delta and Omicron variants in the RBD-SD1 domain. (2) Impact of Omicron RBD mutations on the structure and properties of the RBD-ACE2 interface system. The in-depth analysis is based on the novel concept of amino acid-amino acid bond pair units (AABPU) that reveal the differences between the Delta and/or Omicron mutations and its corresponding wild-type strain in terms of the role played by non-local amino acid interactions, their 3D shapes and sizes, as well as contribution to hydrogen bonding and partial charge distributions. Our results also show that the interaction of Omicron RBD with ACE2 significantly increased its bonding between amino acids at the interface providing information on the implications of penetration of S-protein into ACE2, and thus offering a possible explanation for its high infectivity. Our findings enable us to present, in more conspicuous atomic level detail, the effect of specific mutations that may help in predicting and/or mitigating the next variant of concern.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Development of a simplified procedure for thrust chamber life prediction

An analytical design procedure for predicting thrust chamber life considering cyclically induced thinning and bulging of the hot gas wall is developed. The hot gas wall, composed of ligaments connecting adjacent cooling channel ribs and separating the coolant flow from the combustion gas, is subjected to pressure loading and severe thermal cycling. Thermal transients during start up and shut down cause plastic straining through the ligaments. The primary bending stress superimposed on the alternate in-plane cyclic straining causes incremental bulging of the ligaments during each firing cycle. This basic mechanism of plastic ratcheting is analyzed and a method developed for determining ligament deformation and strain. The method uses a yield surface for combined bending and membrane loading to determine the incremental permanent deflection and pregressive thinning near the center of the ligaments which cause the geometry of the ligaments to change as the incremental strains accumulate. Fatigue and tensile instability are affected by these local geometry changes. Both are analyzed and a failure criterion developed.

Porowski, J. S.↗
NASA NTRS1998

Burner Emissions Associated with Lobed and Non-Lobed Fuel Injectors

The present experimental study examines NO(sub x), and CO emissions associated with three alternative fuel-injector geometries. These injectors mix fuel and air and strain their interfaces to differing extents and thus create different local equivalence ratios within flow regions upstream of flame ignition and stabilization. Two of the devices studied are lobed fuel injectors, in which molecular mixing of reactants is associated with streamwise vorticity generation, while the third one is a non-lobed fuel injector. Results show that rapid mixing allowed both lobed injector geometries to produce very lean premixed flame structures, with a lower achievable turn-down or fuel/air mass flux ratio than for the analogous non-lobed injector, which largely, produced distinct diffusion flames. All three injectors exhibited some level of sooting near walls and in the far-field region, with the non-lobed injector sooting to the greatest extent. At low fuel flow rates, in which the lobed injectors created locally very lean premixed conditions, there resulted lower NO(sub x) emissions as compared with non-lobed injector emissions. Yet at higher fuel-air mass flux ratios, NO(sub x) emissions from the lobed injectors were actually higher than for the nonlobed injector, likely due to reduced sooting and hence reduced radiative heat losses associated with enhanced mixing. For both lobed injector geometries examined here, CO emissions became high for low values of the fuel/air mass flux ratio, again consistent with locally premixed combustion behavior, despite the fact that fuel was injected separately from air directly into the burner test section. The present study demonstrates that, for fuel-air mixing enhancement devices, control of the local equivalence ratio is critical in order to optimize burner emissions.

Mitchell, M. G.↗
NASA NTRS1997

Enhancement of Mixing and Reaction in High-speed Combustor Flowfields

Research has been underway for a number of years, both in the United States and abroad, to develop advanced aerospace propulsion systems for use late in this century and beyond. One program is now underway at the NASA Langley Research Research has been underway for a number of years, both in the United States and abroad, to develop advanced aerospace propulsion systems for use late in this century and beyond. One program is now underway at the NASA Langley Research Center to develop a hydrogen-fueled supersonic combustion ramjet (scramjet) that is capable of propelling a vehicle at hypersonic speeds in the atmosphere. A part of that research has been directed toward the optimization of the scramjet combustor and, in particular, the efficiency of fuel-air mixing and reaction taking place in the engine. In the high-speed vehicle configurations currently being considered, achieving a high combustor efficiency becomes particularly difficult. With increasing combustor Mach number, the degree of fuel-air mixing that can be achieved through natural convective and diffusive processes is reduced leading to an overall decrease in combustion efficiency and thrust. Compressible shear layers and jets provide a good model for studying the physical processes occurring in high speed mixing and combustion in a scramjet. Mixing layers are characterized by large scale eddies that form due to the high shear that is present between the fuel and the air streams. These eddies entrain the fuel and air into the mixing region between the fluids leading to increased surface area and locally steep concentration gradients. Molecular diffusion then occurs across the strained interfaces. In an early study of high-speed mixing, Brown and Roshko show that the spreading rate of a supersonic mixing layer decreases with increasing Mach number, exhibiting a factor of three decrease in spread rate as compared with an incompressible mixing layer with the same density ratio. They conclude that the reduced spread rate is primarily due to compressibility. Papamoschou and Roshko also observe that the spreading rate of compressible mixing layers is significantly reduced over that of incompressible layers. To characterize the structure of the flow quantitatively, they define a convective Mach number. The reduction in mixing layer spreading rate is shown in these experiments to correlate well with increasing convective Mach number.

Drummond, J. Philip↗
NASA NTRS1987

Local structure of intercomponent energy transfer in homogeneous turbulent shear flow

Intercomponent energy transfer by pressure-strain-rate was investigated for homogeneous turbulent shear flow. The rapid and slow parts of turbulent pressure (decomposed according to the influence of the mean deformation rate) are found to be uncorrelated; this finding provides strong justification for current modeling procedure in which the pressure-strain-rate term is split into the corresponding parts. Issues pertinent to scales involved in the intercomponent energy transfer are addressed in comparison with those for the Reynolds-stress and vorticity fields. A physical picture of the energy transfer process is described from a detailed study of instantaneous events of high transfer regions. It was found that the most significant intercomponent energy transfer events are highly localized in space and are imbedded within a region of concentrated vorticity.

Brasseur, James G.↗
DOE OSTI2021

Imaging Charged Exciton Localization in van der Waals WSe 2 /MoSe 2 Heterobilayers

Exciton localization in transition-metal dichalcogenide monolayers is behind a variety of interesting phenomena and applications, including broad-spectrum solar cells and singlephoton emissions. Strain fields at the periphery of topographically distinct features such as nanoscopic bubbles were recently associated with localized charge-neutral excitons. Here, we use tip-enhanced photoluminescence (PL) to visualize excitons in WSe 2 /MoSe 2 heterobilayers (HBL). We find strong optical emission from charged excitons, particularly positively charged trions, in HBL supported by interlayer charge transfer. Our results reveal strong trion confinement, with a localization length scale comparable to the trion size, at the apex region inside individual nanoscopic bubbles. Nano-PL mapping also shows sub-10 nm spatial variations in the localized trion emission spectra, which stem from atomic-scale potential energy fluctuations. These findings demonstrate the possibility of confining charged exciton complexes that are electrically tunable, opening up further opportunities to probe many-body exciton physics, and to explore additional possible sites for strong exciton localization that can lead to quantum emissions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

Digital Image Correlation Techniques Applied to Large Scale Rocket Engine Testing

Rocket engine hot-fire ground testing is necessary to understand component performance, reliability and engine system interactions during development. The J-2X upper stage engine completed a series of developmental hot-fire tests that derived performance of the engine and components, validated analytical models and provided the necessary data to identify where design changes, process improvements and technology development were needed. The J-2X development engines were heavily instrumented to provide the data necessary to support these activities which enabled the team to investigate any anomalies experienced during the test program. This paper describes the development of an optical digital image correlation technique to augment the data provided by traditional strain gauges which are prone to debonding at elevated temperatures and limited to localized measurements. The feasibility of this optical measurement system was demonstrated during full scale hot-fire testing of J-2X, during which a digital image correlation system, incorporating a pair of high speed cameras to measure three-dimensional, real-time displacements and strains was installed and operated under the extreme environments present on the test stand. The camera and facility setup, pre-test calibrations, data collection, hot-fire test data collection and post-test analysis and results are presented in this paper.

Gradl, Paul R.↗
NASA NTRS1992

Computational structures technology at Grumman: Current practice/future needs

The current practice for the design analysis of new airframe structural systems is to construct a master finite element model of the vehicle in order to develop internal load distributions. The inputs to this model include the geometry which is taken directly from CADAM and CATIA structural layout and aerodynamic loads and mass distribution computer models. This master model is sufficiently detailed to define major load paths and for the computation of dynamic mode shapes and structural frequencies, but not detailed enough to define local stress gradients and notch stresses. This master model is then used to perform structural optimization studies that will provide minimum weights for major structural members. The post-processed output from the master model, load, stress, and strain analysis is then used by structural analysts to perform detailed stress analysis of local regions in order to design local structure with all its required details. This local analysis consists of hand stress analysis and life prediction analysis with the assistance of manuals, design charts, computer stress and structural life analysis and sometimes finite element or boundary element analysis. The resulting design is verified by fatigue tests.

Pifko, Allan B.↗
DOE OSTI2021

Effect of local structure and stoichiometry on the dynamic behavior of bi-metal interfaces

Molecular dynamics (MD) simulations are performed to investigate the failure behavior of Al/Al, Al/Fe, and Al/AlFe bi-layers under high strain-rate shock loading. Additional simulations are performed to invesigate solely the tensile response of these systems and to isolate the effects of loading history on damage and failure. Specifically, the compression stage of the shock is excluded from the tensile simulations. This study shows that local structure variation, including the introduction of serrations, plays different roles in controlling damage nucleation depending on the specific loading condition. Under shock loading, the stress for void nucleation and the resulting void distribution is insensitive to an interface structure, whereas under pure tensile loading, the opposite is true, even though the strain rate is comparable. The above difference can be explained based on the corresponding change in the total deformation prior to damage nucleation under shock loading, which is missing from the pure tensile loading. Therefore, it is concluded that whether local interface structure matters under high strain-rate loading depends on the specific loading history and the stress state: the local structure variation matters only when it alters the deformation behavior, and subsequently, damage nucleation and evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2025

How short peptides disassemble tau fibrils in Alzheimer’s disease

Reducing fibrous aggregates of the protein tau is a possible strategy for halting the progression of Alzheimer’s disease (AD). Previously, we found that in vitro, the d-enantiomeric peptide (D-peptide) D-TLKIVWC disassembles ultra-stable tau fibrils extracted from the autopsied brains of individuals with AD (hereafter, these tau fibrils are referred to as AD-tau) into benign segments, with no energy source other than ambient thermal agitation. To consider D-peptide-mediated disassembly as a potential route to therapeutics for AD, it is essential to understand the mechanism and energy source of the disassembly action. Here, in this work, we show that the assembly of D-peptides into amyloid-like (‘mock-amyloid’) fibrils is essential for AD-tau disassembly. These mock-amyloid fibrils have a right-handed twist but are constrained to adopt a left-handed twist when templated in complex with AD-tau. The release of strain that accompanies the conversion of left-twisted to right-twisted, relaxed mock-amyloid produces a torque that is sufficient to break the local hydrogen bonding between tau molecules, and leads to the fragmentation of AD-tau. This strain-relief mechanism seems to operate in other examples of amyloid fibril disassembly, and could inform the development of first-in-class therapeutics for amyloid diseases.

Alzheimer's disease↗
DOE OSTI2022

What Can Plastic Flow Fields Tell Us About Heat Sources in Deformation Processing?

We characterize primary (shape-change) and secondary (friction) deformation, and associated temperature fields, in metal cutting and forming processes, using in situ imaging and simulation. The experimental configurations enable access to the deformation zones and die contact-interfaces, for measuring deformation, temperature, and frictional drag. Infra-red thermography reveals that the plastic strain-rate field is an excellent proxy for the deformation-induced heat sources. Both spatially confined and diffuse strain-rate fields occur, depending on the initial workpiece deformation state. When the strain rate is confined, as in pre-hardened material, the temperature modeling is much simplified, as the heat source is also now localized. However complex, microstructure-driven deformation modes, like sinuous flow in annealed metals, result in spatially diffuse strain-rate and body heat sources, more challenging to analyze. Furthermore, our unified measurements should be of value for accurately estimating the fraction of plastic dissipation that is converted into heat in large-strain deformation processes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Kirigami Photopiezo Catalysts for Self-Sustainable Environment Remediation

Photo(electro)-piezo catalysis has emerged as one of the most effective strategies for sustainable environmental remediation. While various (nano)materials have been investigated for enhancing the intrinsic properties related to the interfacial band structure, increasing the efficiency by integration of materials with rational design for stress–strain applications has not yet been considered. Herein, we introduce kirigami strain engineering to photopiezo catalysts for enhancing efficiency by increasing the magnitude of applied strain and density of bends. Macroscale stretching motion is converted into localized bending by a pliable kirigami structure using similar or even lower input energy, which can be easily modulated by natural waves. The kirigami structure leads to a significant enhancement (~250%) in the degradation of dyes, and we discovered the significant contribution of the oxygen reduction pathway in the charge-transfer mechanism, which corresponds to the observed enhancement. In conclusion, the photopiezo catalytic effects of kirigami were further highlighted by the small water reservoir test, showing its feasibility in nature for self-sustainable environmental remediation that can be modulated using motions of winds, waves, and life vibrations.

14 SOLAR ENERGY↗
DOE OSTI2020

Localization of deformation in fluid-saturated sandstone

Herein we discuss a laboratory study of inelastic deformation and localization was conducted to evaluate microseismicity and fracture in fluid-saturated rock. Plane strain compression experiments were performed on oil- and water-saturated Berea sandstone under dry, drained, undrained, and quasi-unjacketed conditions. Parameters associated with the elastic and inelastic material response were accurately measured and used in a constitutive model to predict localization of deformation under the drained and undrained conditions. Acoustic emission (AE) activity was recorded and the onset of inelastic response in fluid-saturated rock, similar to dry rock, coincided with an increase in AE rate. Fracture initiation and propagation were successfully monitored by AE locations. Clustering of AE events and the start of inhomogeneous deformation inferred from displacement measurements are shown to be well correlated with the model prediction of the onset of localized deformation under various rock-fluid interaction conditions.

42 ENGINEERING↗
DOE OSTI2020

Strain-engineered high-responsivity MoTe 2 photodetector for silicon photonic integrated circuits

In integrated photonics, specific wavelengths are preferred such as 1550 nm due to low-loss transmission and the availability of optical gain in this spectral region. For chip-based photodetectors, layered two-dimensional (2D) materials bear scientific and technologically relevant properties such as electrostatic tunability and strong light-matter interactions. However, no efficient photodetector in the telecommunication C-band has been realized with 2D transition metal dichalcogenide materials due to their large optical bandgap. Furthermore, we demonstrate a MoTe 2 -based photodetector featuring strong photoresponse (responsivity = 0.5 A/W -1 ) operating at 1550 nm in silicon photonics enabled by strain engineering the 2D material. Non-planarized waveguide structures show a locally-induced bandgap change of 0.2 eV inside MoTe 2 , resulting in large photo-response, in an otherwise photo-inactive medium when unstrained. Unlike Graphene-based photodetectors relying on a gapless band structure, this photodetector shows a ~100X improved dark current, enabling an efficient noise equivalent power of 90 pW/Hz -0.5 . Such strain-engineered integrated photodetector provides new opportunities for integrated optoelectronic systems.

47 OTHER INSTRUMENTATION↗
NASA NTRS1991

An experimental investigation of Iosipescu specimen for composite materials

A detailed experimental evaluation of the Iosipescu specimen tested in the modified Wyoming fixture is presented. Moire interferometry is employed to determine the deformation of unidirectional and cross-ply graphite-epoxy specimens. The results of the moire experiments are compared to those from the traditional strain-gage method. It is shown that the strain-gage readings from one surface of a specimen together with corresponding data from moire interferometry on the opposite face documented an extreme sensitivity of some fiber orientations to twisting. A localized hybrid analysis is introduced to perform efficient reduction of moire data, producing whole-field strain distributions in the specimen test sections.

Ho, H.↗
DOE OSTI2022

Heteroepitaxy of FCC-on-FCC systems of large misfit

Here, to understand the effects of lattice mismatch on heteroepitaxial growth, we have studied the equilibrium structure and orientation relationships (ORs) of FCC films grown epitaxially on FCC substrates, using molecular dynamics simulations in conjunction with embedded atom method potentials. Three film/substrate systems have been investigated, namely: Ag on Cu, Ag on Ni and Pb on Al. These systems cover a significant range of lattice mismatch, from 12.6% for Ag/Cu to 21.8% for Pb/Al. For each system, the ORs of films on six different substrate orientations, namely: (100), (511), (311), (211), (322) and (111), have been investigated. Films on these susbstrates cover a gradual transition from the oct-cube orientation relationship, which occurs only on (100) substrates, to the heterotwin orientation relationship, which often occurs on (111) substrates. It is found that the resulting ORs vary systematically with substrate orientation, but that the pattern of variation is almost identical for all three systems, and therefore largely independent of mismatch. However, the manner in which mismatch is accommodated does depend on the magnitude of mismatch. Simulations point to an important role for edge-to-edge matching and defects such as stacking faults. An analysis of these results in terms of transformation strains highlights the distinction between the ORs, which are largely independent of mismatch, and the local interfacial structure, which changes directly with mismatch.

36 MATERIALS SCIENCE↗