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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum Photon Sources in WSe 2 Monolayers Induced by Weakly Localized Strain Fields

Quantum emitters in semiconductor transition metal dichalcogenide (TMD) monolayers hold great promise for many quantum optics applications due to the intriguing properties afforded by the host materials. The creation of localized excitonic states in two-dimensional semiconductors is also fundamentally interesting. Local strain engineering of TMD monolayers has been attested to be a viable approach for creating quantum emitters. However, despite the ubiquitous existence of local topography variations in the structures used to create strain gradients in the TMD monolayers, an understanding of their influence on the strain fields and exciton trapping is notably lacking, especially on the nanoscale. In this study, we investigate WSe 2 monolayers deposited on the edges of asfabricated trenches, which are deemed to induce 1D delocalized strain profiles in the monolayers, and observe optical signatures of weakly confined excitonic states supporting biexciton emission. Here, our numerical simulations of the strain distributions suggest that the quantum emitters originate from quasi-1D like localized strain profiles induced by local topography variations at the trench edges. These findings have strong implications toward the controlled creation of quantum emitters in TMD monolayers and their efficient coupling to photonic structures.

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

Susceptibility of pESI positive Salmonella to treatment with biocide chemicals approved for use in poultry meat processing as compared to Salmonella without the pESI plasmid

Abstract Salmonella is a common cause of human foodborne illness, which is frequently associated with consumption of contaminated or undercooked poultry meat. Serotype Infantis is among the most common serotypes isolated from poultry meat products globally. Isolates of serotype Infantis carrying the pESI plasmid, the most dominant strain of Infantis, have been shown to exhibit oxidizer tolerance. Therefore, 16 strains of Salmonella with and without pESI carriage were investigated for susceptibility to biocide chemical processing aids approved for use in US poultry meat processing: peracetic acid (PAA), cetylpyridinium chloride (CPC), calcium hypochlorite, and sodium hypochlorite. Strains were exposed for 15 s to simulate spray application and 90 min to simulate application in an immersion chiller. All strains tested were susceptible to all concentrations of PAA, CPC, and sodium hypochlorite when applied for 90 min. When CPC, calcium hypochlorite, and sodium hypochlorite were applied for 15 s to simulate spray time, strains responded similarly to each other. However, strains responded variably to exposure to PAA. The variation was not statistically significant and appears unrelated to pESI carriage. Results highlight the necessity of testing biocide susceptibility in the presence of organic material and in relevant in situ applications.

Biotechnology & Applied Microbiology↗
NASA NTRS1980

Chromatically corrected virtual image visual display

An in-line, three element, large diameter, optical display lens is disclosed which has a front convex-convex element, a central convex-concave element, and a rear convex-convex element. The lens, used in flight simulators, magnifies an image presented on a television monitor and, by causing light rays leaving the lens to be in essentially parallel paths, reduces eye strain of the simulator operator.

Kahlbaum, W. M., Jr.↗
NASA NTRS1977

Wind tunnel and ground static tests of a .094 scale powered model of a modified T-39 lift/cruise fan V/STOL research airplane

Ground static and wind tunnel test of a scale model modified T-39 airplane are reported. The configuration in the nose and replacement of the existing nacelles with tilting lift/cruise fans. The model was powered with three 14 cm diameter tip driven turbopowered simulators. Forces and moments were measured by an internal strain guage balance. Engine simulator thrust and mass flow were measured by calibrated pressure and temperature instrumentation mounted downstream of the fans. The low speed handling qualities and general aerodynamic characteristics of the modified T-39 were defined. Test variables include thrust level and thrust balance, forward speed, model pitch and sideslip angle at forward speeds, model pitch, roll, and ground height during static tests, lift/cruise fan tilt angle, flap and aileron deflection angle, and horizonal stabilizer angle. The effects of removing the landing gear, the lift/cruise fans, and the tail surfaces were also investigated.

Hunt, D.↗
DOE OSTI2022

Observations and Modeling of Fiber Optic Strain on Hydraulic Fracture Height Growth in Hydraulic Fracturing Test Site 2 (HFTS-2)

Summary Understanding fracture height growth can be of great significance to optimizing field development and improving recovery. The Hydraulic Fracturing Test Site 2 (HFTS-2) has provided a unique opportunity and an advanced data set to allow us to observe and understand fracture geometries rigorously. Low-frequency distributed acoustic sensing (LF-DAS) data from a vertical well in HFTS-2 showed three key observations: (i) excessive upward height growth (>1,000 ft) and limited downward growth of the hydraulic fractures during pumping, (ii) considerable additional upward fracture height growth (~300 ft) after well shut in, and (iii) very complex LF-DAS strain rate patterns for a small fiber-to-stage offset. Advanced geomechanical modeling was performed to simulate the hydraulic fracture propagation and the resulting strain responses in the vertical direction. The modeling results demonstrated asymmetric upward and downward fracture height growths as observed in HFTS-2 with a similar upward height growth rate. Simulated waterfall plots of vertical strain rate showed distinct patterns for different fiber-to-fracture distances. The upward-growing fracture tip can be clearly identified by the interfaces between compressing and extending zones. It was also found that the complex strain rate patterns observed in HFTS-2 for small fiber-stage offsets were not caused by the mechanical layering but possibly result from the simultaneous propagation of multiple hydraulic fractures at different rates. The simulation results improved the understating of the HFTS-2 LF-DAS data, and the simulated strain rate patterns could also serve as templates for fracture height interpretation from LF-DAS data in future.

Engineering↗
DOE OSTI2021

Observations and Modeling of Fiber-Optics Strain on Hydraulic Fracture Height Growth in HFTS-2

Understanding fracture height growth can be of great significance to optimizing field development and improving recovery. The Hydraulic Fracturing Test Site 2 (HFTS-2) has provided a unique opportunity and an advanced dataset to allow us to observe and understand fracture geometries rigorously. Low frequency distributed acoustic sensing (LF-DAS) data from a vertical well in HFTS-2 showed three key observations: (i) excessive upward height growth (>1000 ft) and limited downward growth of the hydraulic fractures during pumping, (ii) considerable additional upward fracture height growth (~300 ft) after well shut in, and (iii) very complex LF-DAS strain rate patterns for a small fiber-to-stage offset. Advanced geomechanical modeling was performed to simulate the hydraulic fracture propagation and the resulting strain responses in the vertical direction. The modeling results demonstrated asymmetric upward and downward fracture height growths as observed in HFTS-2 with a similar upward height growth rate. Simulated waterfall plots of vertical strain rate showed distinct patterns for different fiber-to-fracture distances. The upward-growing fracture tip can be clearly identified by the interfaces between compressing and extending zones. It was also found that the complex strain rate patterns observed in HFTS-2 for small fiber-stage offsets were not caused by the mechanical layering but possibly result from the simultaneous propagation of multiple hydraulic fractures at different rates. Furthermore, the simulation results improved the understating of the HFTS-2 LF-DAS data and the simulated strain rate patterns could also serve as templates for fracture height interpretation from LF-DAS data in future.

58 GEOSCIENCES↗
NASA NTRS2012

Simulation of Complex Cracking in Plain Weave C/SiC Composite under Biaxial Loading

Finite element analysis is performed on a mesh, based on computed geometry of a plain weave C/SiC composite with assumed internal stacking, to reveal the pattern of internal damage due to biaxial normal cyclic loading. The simulation encompasses intertow matrix cracking, matrix cracking inside the tows, and separation at the tow-intertow matrix and tow-tow interfaces. All these dissipative behaviors are represented by traction-separation cohesive laws. Not aimed at quantitatively predicting the overall stress-strain relation, the simulation, however, does not take the actual process of fiber debonding into account. The fiber tows are represented by a simple rule-of-mixture model where the reinforcing phase is a hypothetical one-dimensional material. Numerical results indicate that for the plain weave C/SiC composite, 1) matrix-crack initiation sites are primarily determined by large intertow matrix voids and interlayer tow-tow contacts, 2) the pattern of internal damage strongly depends on the loading path and initial stress, 3) compressive loading inflicts virtually no damage evolution. KEY WORDS: ceramic matrix composite, plain weave, cohesive model, brittle failure, smeared crack model, progressive damage, meso-mechanical analysis, finite element.

Cheng, Ron-Bin↗
DOE OSTI2022

Synergistic effect of microstructure and defects on the initiation of fatigue cracks in additively manufactured Inconel 718

Fatigue cracks in additively manufactured (AMed) Inconel 718 (IN-718) in machined surface condition often initiate from persistent slip bands (PSBs) unlike other popular AM alloys such as 17-4 PH stainless steel or Ti-6Al-4V, where fatigue crack initiation is exclusively from volumetric defects; therefore, a competition between PSB- vs. defect- mediated crack initiation clearly exists. To shed light on the factors governing the competition, this study investigates the characteristics of cyclic strain localization, PSB formation, and crack initiation via crystal plasticity (CP) modeling of cyclic loading on polycrystalline aggregates which are then validated by experiments. In this work, a physics-based, free slip distance (FSD) dependent slip strength evolution law is proposed, which is shown to enable the CP model to simulate the heterogeneous strain distribution in IN-718. Implementing a crack initiation criterion based on strain contrast, the locations and lives for crack initiation can also be calculated. It is shown that both FSD and resolve shear stress influence the strain localization and crack initiation behaviors. The distribution of a localization parameter calculated based on the multiplication of FSD and Schmid factor within a grain is found to correlate well with the locations of PSBs. The maximum values of the localization parameters within a microstructure are shown to correlate well with the experimentally obtained crack initiation lives. The presence of volumetric defects in IN-718 generally do not impact strain localization behavior unless their size is large compared to the grain size.

42 ENGINEERING↗
NASA NTRS2016

Composite Cure Process Modeling and Simulations using COMPRO(Registered Trademark) and Validation of Residual Strains using Fiber Optics Sensors

Composite cure process induced residual strains and warping deformations in composite components present significant challenges in the manufacturing of advanced composite structure. As a part of the Manufacturing Process and Simulation initiative of the NASA Advanced Composite Project (ACP), research is being conducted on the composite cure process by developing an understanding of the fundamental mechanisms by which the process induced factors influence the residual responses. In this regard, analytical studies have been conducted on the cure process modeling of composite structural parts with varied physical, thermal, and resin flow process characteristics. The cure process simulation results were analyzed to interpret the cure response predictions based on the underlying physics incorporated into the modeling tool. In the cure-kinetic analysis, the model predictions on the degree of cure, resin viscosity and modulus were interpreted with reference to the temperature distribution in the composite panel part and tool setup during autoclave or hot-press curing cycles. In the fiber-bed compaction simulation, the pore pressure and resin flow velocity in the porous media models, and the compaction strain responses under applied pressure were studied to interpret the fiber volume fraction distribution predictions. In the structural simulation, the effect of temperature on the resin and ply modulus, and thermal coefficient changes during curing on predicted mechanical strains and chemical cure shrinkage strains were studied to understand the residual strains and stress response predictions. In addition to computational analysis, experimental studies were conducted to measure strains during the curing of laminated panels by means of optical fiber Bragg grating sensors (FBGs) embedded in the resin impregnated panels. The residual strain measurements from laboratory tests were then compared with the analytical model predictions. The paper describes the cure process procedures and residual strain predications, and discusses pertinent experimental results from the validation studies.

Sreekantamurthy, Thammaiah↗
DOE OSTI2020

Intrinsic size dependent plasticity in BCC micro-pillars under uniaxial tension and pure torsion

The mechanical behavior of submicron body-centered cubic (BCC) micro-pillars is investigated by three-dimensional dislocation dynamics (DD) simulations to better understand the governing mechanisms for size dependent plasticity under uniaxial tension and pure torsion. A formula is developed to compute the incremental plastic twist due to dislocation motion in DD simulations. The DD simulations show that different dislocation microstructures are created depending on the loading conditions, which leads to different size dependent mechanical behavior. While in tension plasticity is mainly governed by the kinetics of dislocation motion controlled partly by the surface dislocation sources, plastic flow in torsion is controlled by dislocation pile-ups associated with strain gradients. The simulation results also reveal a Bauschinger effect and plastic recovery under cyclic twist, which have been observed in recent experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Molecular dynamics simulation of vacancy and void effects on strain-induced martensitic transformations in Fe-50 at.% Ni model concentrated solid solution alloy

Strain-induced martensitic transformations can improve the strength and ductility of some face centered cubic (FCC) metals and alloys. Irradiation-induced defects such as vacancies, dislocation loops, and voids activate martensitic transformations over a wider range of mechanical loading conditions than in pristine material. Furthermore, the mechanisms underlying irradiation-enabled martensite transformations remain unclear. In this work, we use molecular dynamics simulations to study the effect of vacancies and voids on strain-induced martensitic transformations in a model concentrated solid solution alloy Fe-50 at.% Ni. It has been found that single vacancies have no resolvable effect on the transformation because they reduce the stacking fault energy by a relatively insignificant margin and do so only if the vacancy is located on the stacking fault plane. Voids, however, activate the martensite transformation through shear strain accumulation around the void due to dislocation pileup. The larger the void, the more pronounced this effect.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Numerical experiments in homogeneous turbulence

The direct simulation methods developed by Orszag and Patternson (1972) for isotropic turbulence were extended to homogeneous turbulence in an incompressible fluid subjected to uniform deformation or rotation. The results of simulations for irrotational strain (plane and axisymmetric), shear, rotation, and relaxation toward isotropy following axisymmetric strain are compared with linear theory and experimental data. Emphasis is placed on the shear flow because of its importance and because of the availability of accurate and detailed experimental data. The computed results are used to assess the accuracy of two popular models used in the closure of the Reynolds-stress equations. Data from a variety of the computed fields and the details of the numerical methods used in the simulation are also presented.

Rogallo, R. S.↗
DOE OSTI2021

Machine learning for deep elastic strain engineering of semiconductor electronic band structure and effective mass

Abstract The controlled introduction of elastic strains is an appealing strategy for modulating the physical properties of semiconductor materials. With the recent discovery of large elastic deformation in nanoscale specimens as diverse as silicon and diamond, employing this strategy to improve device performance necessitates first-principles computations of the fundamental electronic band structure and target figures-of-merit, through the design of an optimal straining pathway. Such simulations, however, call for approaches that combine deep learning algorithms and physics of deformation with band structure calculations to custom-design electronic and optical properties. Motivated by this challenge, we present here details of a machine learning framework involving convolutional neural networks to represent the topology and curvature of band structures in k -space. These calculations enable us to identify ways in which the physical properties can be altered through “deep” elastic strain engineering up to a large fraction of the ideal strain. Algorithms capable of active learning and informed by the underlying physics were presented here for predicting the bandgap and the band structure. By training a surrogate model with ab initio computational data, our method can identify the most efficient strain energy pathway to realize physical property changes. The power of this method is further demonstrated with results from the prediction of strain states that influence the effective electron mass. We illustrate the applications of the method with specific results for diamonds, although the general deep learning technique presented here is potentially useful for optimizing the physical properties of a wide variety of semiconductor materials.

Tsymbalov, Evgenii↗
DOE OSTI2026

Elastic strain engineering of lattice thermal conductivity of silicon: An ab-initio study

Silicon (Si) is the most essential material in the semiconductor industry. It is important to manage the thermal properties of crystalline Si. Elastic strain engineering (ESE) has proven to be an effective tool in controlling the electrical conductivity of Si in strained-silicon technology; its effects on the thermal conductivity of silicon, therefore, warrants careful investigation. The ESE effect is much more pronounced for nanostructured materials due to the ultralarge elastic strains (on the order of 10%) achievable at the nanoscale. In this work, the lattice thermal conductivity (κ L ) of Si under hydrostatic, biaxial, and uniaxial strain states is studied with ab-initio simulations, and the values of strain-dependent κ L compare well with experimental results and existing molecular dynamics simulations. To understand the mechanisms of strain-modulated κ L , the phonon bands, scattering rate, and Grüneisen parameters of phonon modes are computed. It is shown that strain can significantly change the anharmonicity of the crystal system, thus changing phonon scattering rates and κ L . Our results demonstrate that ESE can reduce silicon κ L by up to approximately 90%. Furthermore, uniaxial and biaxial strains can induce highly anisotropic thermal conductivity in Si, with relative variations up to 58.5% and 14.5%, respectively.

Anisotropy in Thermal Conductivity↗
DOE OSTI2024

Prediction of residual stresses in additively manufactured parts using lumped capacitance and classical lamination theory

Several industries are interested in Laser Powder Bed Fusion (L-PBF) Additively Manufactured (AM) metal parts because their designs can be made arbitrarily complex while retaining bulk-type material properties. However, the residual stresses (RS) and distortions caused by the heat gradients inherent to L-PBF processes are detrimental to the structural integrity of the parts and must be taken into consideration during the part design cycle. Predicting the state of stresses in as-built 3D printed parts is a difficult problem that is typically approached with the use of transient thermomechanical Finite Element Models (FEMs). However, the nonlinearities associated with AM processes are difficult to capture in these FEMs without increasing the computational cost of the simulation, limiting their ability to be incorporated into practical design cycles. This work presents a novel analytical framework that combines lumped capacitance nonlinear heat transfer with time dependent classical lamination theory to efficiently and accurately predict RS in as-built L-PBF parts without the need of FEMs. The simulation was compared to Neutron Diffraction (ND) residual strain measurements taken at Oak Ridge National Laboratories (ORNL) as well as Synchrotron X-ray Diffraction (XRD) strain data published by the National Institute of Standards and Technology (NIST). The simulation predictions and the experimental data showed excellent agreement for the in-plane strain directions, and general agreement for the out of plane strain component, highlighting an area where further development can be implemented.

42 ENGINEERING↗
NASA NTRS2020

Molecular Dynamics Investigation of the Structural and Mechanical Properties of Off-Stoichiometric Epoxy Resins

We carried out molecular dynamics (MD) simulations to measure the mechanical properties of various off-stoichiometric polymers regarding amine to epoxy ratios (r) and to understand the stiffness of the polymers in terms of their structures. The aerospace-grade API-60 epoxy resin is used as an adhesive bond for assembling large-scale composite structures via the co-curing-ply bonding method. This method will produce a reliable and certifiable composite joint without additional fasteners. Calculated Young's modulus was measured from the uniaxial tension simulation with several high strain rates, and the experimental modulus was estimated by extrapolating the simulation results. We found that the stiffness was associated with molecular packing caused by chemical cross-linking. We also found that the number of network clusters gradually decreased as the ratio approached r = 1.0, which made the tighter cluster and the system much stiffer with an increase in the molecular weight and the degree of cross-linking. Structural properties such as Rg, MSD were measured to figure out the degree of stiffness with respect to the r.

Jang, Chang Woon↗
DOE OSTI2024

Constitutive model development of aluminum alloy 1100 for elevated temperature forming process

Commercially pure aluminum alloy, AA1100, presents good electrical and thermal conductivity, high formability, and low cost. Those favorable characteristics have the potential to enable bipolar plates with improved economics and enhanced performance compared to current stainless steel bipolar plates for proton exchange membrane fuel cells. An accurate constitutive model is essential to develop and optimize processing parameters and effectively control the forming process. Here, the objective of this work is to develop a constitutive model of AA1100 that is able to simulate stress-strain relation, formed geometry, and predict the onset of fracture strain to avoid forming failure. Initially, a set of tensile tests at temperature between 300 and 500°C and strain rate between 0.005 and 1.0/s were conducted to examine the deformation behavior. Then, a set of damage-based unified visco-plastic constitutive equations is proposed and calibrated based on the results of stress-strain data. A genetic algorithm optimization method is applied to search for best fitting material constants in constitutive equations. The proposed model shows good predictability of both the stress-strain relation and fracture strain at low strain rate and high temperature conditions. The accuracy of proposed model is also evaluated statistically. A comparison of the proposed model with three popular models (Arrhenius-type mode, Johnson-Cook model and Zerilli-Armstrong model) was made. The proposed model shows the best experimental agreement with correlation coefficient of 0.96 in contrast to 0.25, 0.38 and 0.75 for the popular models, respectively. The proposed model can help to optimize the elevated temperature forming process and guide die design to enable optimal geometric features in the formed components.

08 HYDROGEN↗
DOE OSTI2023

Flow Strength Measurements of Wrought and AM SS304L via Pressure Shear Plate Impact Experiments

Pressure-shear plate impact experiments were performed to quantify flow strength of wrought, as-built additively manufactured (AM), and heat-treated and recrystallized AM 304 L stainless steel (SS304L) under combined loading. Impact velocities spanned between 0.03 and 0.24 mm/μs, resulting in corresponding pressures of 0.62–5.93 GPa. Flow strength measurements are comparable for the sample variants across the studied loading conditions; however, shear wave structures significantly differ between sample type. Microstructurally aware simulations indicate local strain differences attributed to anisotropic elastic constants of large grains (~1 mm) in the as-built and heat-treated AM may impede the ability to uniformly transmit a shear wave.

36 MATERIALS SCIENCE↗