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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Structure and Interdigitation of Chain-Asymmetric Phosphatidylcholines and Milk Sphingomyelin in the Fluid Phase

We addressed the frequent occurrence of mixed-chain lipids in biological membranes and their impact on membrane structure by studying several chain-asymmetric phosphatidylcholines and the highly asymmetric milk sphingomyelin. Specifically, we report trans-membrane structures of the corresponding fluid lamellar phases using small-angle X-ray and neutron scattering, which were jointly analyzed in terms of a membrane composition-specific model, including a headgroup hydration shell. Focusing on terminal methyl groups at the bilayer center, we found a linear relation between hydrocarbon chain length mismatch and the methyl-overlap for phosphatidylcholines, and a non-negligible impact of the glycerol backbone-tilting, letting the sn1-chain penetrate deeper into the opposing leaflet by half a CH 2 group. That is, penetration-depth differences due to the ester-linked hydrocarbons at the glycerol backbone, previously reported for gel phase structures, also extend to the more relevant physiological fluid phase, but are significantly reduced. Moreover, milk sphingomyelin was found to follow the same linear relationship suggesting a similar tilt of the sphingosine backbone. Complementarily performed molecular dynamics simulations revealed that there is always a part of the lipid tails bending back, even if there is a high interdigitation with the opposing chains. The extent of this back-bending was similar to that in chain symmetric bilayers. For both cases of adaptation to chain length mismatch, chain-asymmetry has a large impact on hydrocarbon chain ordering, inducing disorder in the longer of the two hydrocarbons.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Evaluation of Applied Stress on Atmospheric Corrosion and Pitting Characteristics in 304L Stainless Steel

For this study, the effects of applied stress, ranging from tensile to compressive, on the atmospheric pitting corrosion behavior of 304L stainless steel (SS304L) were analyzed through accelerated atmospheric laboratory exposures and microelectrochemical cell analysis. After exposing the lateral surface of a SS304L four-point bend specimen to artificial seawater at 50°C and 35% relative humidity for 50 d, pitting characteristics were determined using optical profilometry and scanning electron microscopy. The SS304L microstructure was analyzed using electron backscatter diffraction. Additionally, localized electrochemical measurements were performed on a similar, unexposed, SS304L four-point bend bar to determine the effects of applied stress on corrosion susceptibility. Under the applied loads and the environment tested, the observed pitting characteristics showed no correlation with the applied stress (from 250 MPa to -250 MPa). Pitting depth, surface area, roundness, and distribution were found to be independent of location on the sample or applied stress. The lack of correlation between pitting statistics and applied stress was more likely due to the aggressive exposure environment, with a sea salt loading of 4 g/m 2 chloride. The pitting characteristics observed were instead governed by the available cathode current and salt distribution, which are a function of sea salt loading, as well as pre-existing underlying microstructure. In microelectrochemical cell experiments performed in Cl - environments comparable to the atmospheric exposure and in environments containing orders of magnitude lower Cl - concentrations, effects of the applied stress on corrosion susceptibility were only apparent in open-circuit potential in low Cl - concentration solutions. Cl - concentration governed the current density and transpassive dissolution potential.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Radiation Damage Studies on Titanium Alloys as High Intensity Proton Accelerator Beam Window Materials

A high-strength dual a+ß phase titanium alloy Ti–6Al–4V is utilized as a material for beam windows in several accelerator target facilities. However, relatively little is known about how material properties of this alloy are affected by high-intensity proton beam irradiation. With plans to upgrade neutrino facilities at J-PARC and Fermilab to over 1 MW beam power, the radiation damage in the window material will reach a few displacements per atom (dpa) per year, significantly above the ~0.3 dpa level of existing data. The international RaDIATE collaboration, Radiation Damage In Accelerator Target Environments, has conducted a high intensity proton beam irradiation of various target and window material specimens at Brookhaven Linac Isotope Producer (BLIP) facility, including a variety of titanium alloys. Post-Irradiation Examination (PIE) of the specimens in the 1st capsule, irradiated at up to 0.25 dpa, is in progress. Tensile tests in a hot cell at Pacific Northwest National Laboratory (PNNL) exhibited a clear signature of radiation hardening and loss of ductility for Ti–6Al–4V, while Ti–3Al–2.5V, with less ß phase, exhibited less severe hardening. Microstructural investigations will follow to study the cause of the difference in tensile behavior between these alloys. High-cycle fatigue (HCF) performance is critical to the lifetime estimation of beam windows exposed to a periodic thermal stress from a pulsed proton beam. The first HCF data on irradiated titanium alloys are to be obtained by a conventional bend fatigue test at Fermilab and by an ultrasonic mesoscale fatigue test at Culham Laboratory. Specimens in the 2nd capsule, irradiated at up to ~1 dpa, cover typical titanium alloy grades, including possible radiation-resistant candidates. These systematic studies on the effects of radiation damage of titanium alloy materials are intended to enable us not only to predict realistic lifetimes of current beam windows made of Ti–6Al–4V, but also to extend the lifetime by choosing a more radiation and thermal shock tolerant alloy with a preferable heat treatment, or even by developing new materials.

Titanium Alloy, Beam Window, Proton Beam, Radiatio↗
DOE OSTI2026

Data for "Gold-Induced Chemical Perturbations in CdTe-Based Photovoltaic Cells"

Back contacting p-type CdTe has been identified as one of the major areas of loss in CdTe photovoltaic (PV) power conversion efficiency (PCE). In research settings, Au is a common contact material due to its ease of use and decent performance. This work provides a detailed investigation into using gold for back contacting As-doped, CdCl2 treated, polycrystalline CdTe that has been exposed to air after absorber processing, another routine practice. First, X-ray photoemission spectroscopy (XPS) is used to determine the native oxide to be 1.6 nm of CdTeO3 using a combination of angle-resolved XPS and the cadmium modified Auger parameter. During gold metallization of CdTe, oxygen and oxidized tellurium are eliminated from the thin CdTeO3 native oxide. The fate of the released oxygen and possibly cadmium and tellurium are not known, but these reaction byproducts can enter the absorber bulk or grain boundaries, stay at the interface, or dissolve in the Au. Interfacial hole barriers between CdTe and Au are measured for samples with and without the native oxide present prior to metallization. Results show that the thin CdTeO3 alleviates the downward band bending by 40 meV from 470 meV to 430 meV even though it is consumed during interface formation. The implications of these chemical reactions on the device are assessed through photoluminescence (PL) spectroscopy which shows losses in internal open circuit voltage (iVoc) from 820 meV to 795 meV, carrier lifetime from 123 ns to 45 ns, and PL quantum yield from 2.9x10-5 to 1.2x10-5. Modeling time-resolved PL lifetimes demonstrates the back surface recombination velocity due to metallization reduces minority carrier lifetimes. These results identify the native oxide and show that it plays an important role in mediating downward band bending along with how the back interface reaction can negatively impact device-scale parameters and reduce PV PCE.

14 SOLAR ENERGY↗
DOE OSTI2020

Grating Polarizers at 170 GHz for ECRH Systems: Low Power Tests and Simulations

The elliptical polarization produced by a pair of sinusoidally profiled miter-bend grating polarizers has been measured experimentally and found to be in excellent agreement with theory. The polarizers were designed to be used at 170 GHz in the miter bends of a 63.5 mm corrugated metallic waveguide for creating the arbitrary elliptically polarized microwave beam needed for electron cyclotron resonance heating of plasma. Using a vector network analyzer to generate a linearly polarized HE11 incident mode, each polarizer was individually tested to measure the rotation α and ellipticity β of the elliptically polarized reflected microwave beam as a function of the grating rotation angle. The grating polarizers were then tested together to measure the elliptical polarization as a function of the angles of the combination of the two polarizers arranged sequentially on the transmission line. The map of the ellipticity versus grating angles agreed very well with numerical simulations using high-frequency structure simulator. Numerical simulations show that up to eight combinations of rotation angles of the two grating polarizers can provide the same ellipticity but with the varying ohmic loss, thus allowing the choice of settings to minimize the ohmic loss, a necessary consideration to minimize heating effects in megawatt power level systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Advanced Material Studies for High Intensity Proton Production Targets and Windows

The titanium alloy Ti6Al4V is widely used in accelerator facilities as beam windows, which are exposed to high cycle compressive stress waves from intense pulsed proton beams. Such materials interacting with the beam are subject to various forms of radiation damage, which can adversely affect their endurance limit. However, no fatigue data is currently available for high energy proton irradiated titanium alloy. Due to limitations in proton irradiation facilities, only miniature flat samples can be used for irradiation. To address this issue, we have developed a custom-made bend fatigue tester at Fermilab specifically for testing proton irradiated titanium alloy. In this presentation, we report on the fatigue test results obtained from this custom-fatigue tester using a non-ASTM standard specimen design. We plan to validate these sparse fatigue data with ASTM standard samples using standard fatigue samples. Furthermore, we have modified another commercial bend fatigue tester to accommodate miniature samples, and discuss some inherent deficiencies of the commercial fatigue tester to test miniature samples. To overcome this issue, a new fixture design is presented, which enables satisfactory fatigue testing on miniature samples over long periods. Finally, we present an upgrade to the custom-fatigue tester, featuring this new fixture design.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Wind Loading on Parabolic Trough Collectors: Wind and Structural Loads Measurements at an Operational Powerplant

Concentrated Solar Power (CSP) is a promising method for using solar power for electricity generation with thermal energy storage for industrial applications. Solar collectors constitute almost 1/3 of the total cost of the power plant. One of the primary drivers of unrealiability of these collectors is wind-driven loading of mirrors, support structures, and drives. To date, the design of the solar collector structures has relied on data from wind tunnels that do not adequately capture the dynamic effects observed at scale. NREL initiated a field measurement campaign at the operational Nevada Solar One (NSO) parabolic trough powerplant. At this plant, parabolic trough solar collectors track the sun from east to west in the course of a day and face varying wind loads depending on the wind properties and the angle of the troughs. The aim of the project is a detailed characterization of prevailing wind and turbulence conditions and resulting operational loads on parabolic troughs, providing insights into structural dynamic response, and generating a comprehensive wind-loading dataset for validating simulations of wind loading on collector structures. The measurements at NSO consist of sonic anemometers on masts at different heights to characterize the incoming flow and conditions at four trough rows at the edge of the trough field. In addition, a Doppler Lidar scans the horizontal plane above the troughs. The wind measurements at NSO have been continuously collecting data since October 2021 and are combined with structural load measurements that started in November 2022. The load measurements were installed on the same four outermost trough rows and include support structure bending moments, drive torque moments, dynamic accelerations of the spaceframe, mirror displacement, and tilt angles. Measurements are planned to continue until May 2023, providing a first-of-a-kind, high-resolution multi-month dataset of combined wind and load measurements. In this presentation, we show first results of the measurement campaign. Based on the measurements, we identified three main factors altering the flow over the parabolic troughs: Wind speed, wind direction, and the angle of the parabolic troughs. Most interactions between incoming wind and the trough field are observed when the wind blows perpendicular to the trough rows. In this case, the first rows experience the highest wind speed and block the downwind rows, creating conditions with decreased wind speed and enhanced turbulence within the trough field. Also, turbulent length scales are smaller after the first row. This leads to the highest static loads (bending and torque moments) at the first row but potentially increased dynamic loads within the field. We illustrate our findings with case studies focused on different wind conditions and will present fatigue analysis to highlight the impact of wind-driven loads on collector structures.

CSP collectors↗
DOE OSTI2023

Cabling method of superconducting flat wires

A structure and method provide cables of high-temperature superconducting flat tape and/or filament wires, with a small bending diameter. A cable has a former having cross section that includes a rectangle having rounded ends (i.e. an obround), and the flat tape is wound around the surface of the former at an angle to minimize bending. The former surface may have raised helical ribs or lowered grooves to provide tape registration in multi-layer configurations. Tape may be wound from a spool onto the former under tension, and cut with a laser cutter to produce fine filaments immediately before winding. The former may be slit longitudinally to prevent loop eddy currents and reduce AC losses. The wound cable may be jacketed to provide a cable-in-conduit conductor (CICC), and coolant channels may be provided in the jacket or in the former.

Takayasu, Makoto↗
DOE OSTI2024

LINAC Longitudinal Simulation and Measurement of Output Energy

The Linac at Fermilab, one of the oldest accelerators on-site, plays a crucial role in delivering 400 MeV proton beams to other accelerating facilities. The beam traveling through Linac needs to be carefully monitored for better accelerator operation. One of the key factors of efficient Linac operation is its longitudinal stability. The stability can minimize Linac loss and maximize beam current. For this purpose, I examined the beam's longitudinal profile, which is crucial for proper beam transfer between its two sections. After careful monitoring of the beam through Linac, we need to ensure that it leaves with desired parameters. The beam coming out from the Linac is subsequently injected into the Booster, a synchrotron that relies on dipole magnets to bend the beam at injection. If the output energy of the beam deviates from the expected value, the beam will bend at an incorrect radius, leading to potential beam loss. Therefore, precise regulation of the output energy is critical for the efficient operation of the accelerator. To address this, I have conducted a thorough examination of the Linac longitudinal simulations and data from Beam Position Monitors (BPMs). My objective is to measure and stabilize the output energy and verify its correspondence with the predicted simulation results. All these analyses are important for efficient operation of the accelerator.

Safaryan, Milena↗
DOE OSTI2022

Surface Doping Boosts Triplet Generation Yield in Perovskite-Sensitized Upconversion

Triplet–triplet annihilation-based photon upconversion (TTA-UC) can efficiently generate higher energy photons at low relative fluences. Bulk metal halide perovskites have offered promise in efficiently sensitizing molecular triplet states in the solid state, necessary for the integration of TTA-UC into device-based applications. Recent work focused on TTA-UC from a rubrene triplet annihilator sensitized by perovskite thin films has established relatively efficient charge extraction from the perovskite, forming the triplet exciton in rubrene. Yet, the specifics underpinning charge transfer at the perovskite/rubrene interface are not fully elucidated. Here, to improve device performance and study the properties governing charge transfer at the interface, various organic solvents are explored to treat the perovskite surface. Scanning tunneling microscopy and spectroscopy show a difference in the electronic band structure, where both n- and p-type terminated perovskite surfaces are observed depending on the solvent used. Supported by optical spectroscopy, the impact of the perovskite electronic structure is monitored, indicating that n-type perovskite sensitizers feature higher TTA-UC efficiencies due to favorable band bending resulting in efficient hole-mediated triplet formation. Overall, the tuning of the electronic structure of the perovskite sensitizer through solvent treatment is shown to be a key force in tuning the mechanism of efficient triplet generation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Correlated X‐Ray and Electron Microscopies of a Single Biphasic GaAs Nanowire

Engineering the properties of semiconductors by changing their crystalline phase is a technologically and economically relevant alternative to doping using foreign elements, with strong potential for photonic and electronic applications. Although major advances have been reported recently for crystal‐phase engineering of III‐V and group IV semiconductor nanowires, interfacing two mismatched crystalline phases in a nanostructure induces several deformation mechanisms, which remain largely unexplored. Here, using state‐of‐the‐art synchrotron X‐ray nanobeam diffraction and transmission electron microscopy, subtle twisting and bending is unveiled within an individual GaAs nanowire containing cubic and hexagonal segments. Their role is discussed in accommodating the inter‐reticular spacing fluctuations, and their variations are correlated to the nanoscale phase distribution and to the effect of the NW support. This study brings direct evidence of a complex combination of deformation mechanisms in biphasic nanowires, which opens a new path to tune the nanowire properties with appealing perspectives for device engineering in nanophotonics and nanomechanics.

III-V semiconductors↗
DOE OSTI2020

Charge carrier transport in thin conjugated polymer films: influence of morphology and polymer/substrate interactions

The performance of conjugated polymer (CP)-based electronic devices relies on optimal charge carrier mobilities, which are determined by monomeric architecture, degree of polymerization, chain conformation, and the nano- and mesoscale morphologies. With regard to the latter, we discuss two effects that have received limited attention in the literature, yet important for device performance optimization: (1) the role of morphological disorder and of CP/substrate interactions on the in-plane and out-of-plane carrier transport in CPs; (2) the impact of morphological disorder on charge transfer at the CP/substrate interface. The emergence of film thickness-dependent carrier mobilities, varying over two orders of magnitude within a length scale of 200 nm, and band-bending phenomena, extending tens of nanometers within the CP, are associated with these effects. These findings suggest areas for further research in order to enable widespread applications of next-generation CP-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A variational phase-field model For ductile fracture with coalescence dissipation

A novel phase-field model for ductile fracture is presented. The model is developed within a consistent variational framework in the context of finite-deformation kinematics. A novel coalescence dissipation introduces a new coupling mechanism between plasticity and fracture by degrading the fracture toughness as the equivalent plastic strain increases. The proposed model is compared with a recent alternative where plasticity and fracture are strongly coupled. Several representative numerical examples motivate specific modeling choices. In particular, a linear crack geometric function provides an “unperturbed” ductile response prior to crack initiation, and Lorentz-type degradation functions ensure that the critical fracture strength remains independent of the phase-field regularization length. In addition, the response of the model is demonstrated to converge with a vanishing phase-field regularization length. Additionally, the model is then applied to calibrate and simulate a three-point bending experiment of an aluminum alloy specimen with a complex geometry. The effect of the proposed coalescence dissipation coupling on simulations of the experiment is first investigated in a two-dimensional plane strain setting. The calibrated model is then applied to a three-dimensional calculation, where the calculated load-deflection curves and the crack trajectory show excellent agreement with experimental observations. Finally, the model is applied to simulate crack nucleation and growth in a specimen from a recent Sandia Fracture Challenge.

42 ENGINEERING↗
DOE OSTI2023

Caloric Effects Induced by Uniform and Non-uniform Stress in Shape-Memory Materials

A Ginzburg–Landau model is developed that is adequate to describe a square-to-rectangle martensitic transition with associated shape-memory and superelastic properties. Using this model we study caloric effects in the vicinity of the martensitic transition induced by stress and we compare the case of a uniform uniaxial stress and the case of a non-uniform continuous distribution of stresses that produce bending of the material. The former case corresponds to an elastocaloric effect and the latter corresponds to a flexocaloric effect. The aim of the work is to quantitatively compare both cases, which we show must be accomplished in terms of equal amounts of exchanged mechanical work. It is then obtained that the flexocaloric effect is more efficient for low exchanged work but less efficient for large exchanged work.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Elucidating the impact of stress states on grain boundary passivation in Ni-5Cr using the Rhines pack method

The oxidation behavior of a Ni–5Cr (at.%) alloy was evaluated at 420 ° C using the Rhines pack method and simultaneous tensile and compressive stress states via a miniature four-point bending fixture. At this moderate temperature, grain boundaries dominate mass transport and the resulting oxidation response. Oxidation produced approximately 1μ⁢m-wide protective Cr 2 O 3 films capping some grain boundaries and penetrative, intergranular Cr-rich oxides at other grain boundaries. Externally applied tensile and compressive stress during oxidation increased the prevalence of Cr 2 O 3 cap formation compared to no applied stress, with tensile stress resulting in more Cr 2 O 3 caps than compressive stress. The observed oxide cap morphology was similar across all test conditions. Regions under compressive stress showed an order of magnitude greater Cr depletion depth along the grain boundary. Chromium nitrides (CrN), likely from N contamination of the Rhines pack cell, were observed both at the oxide–metal interface and intergranularly within the alloy. Collectively these results demonstrate that applied stress promotes localized protective oxide cap formation over grain boundaries, with compressive stress additionally promoting deeper Cr depletion. Furthermore the experimental approach helped separate out the effects of stress on local oxide formation and grain boundary passivation.

4 point bend↗
DOE OSTI2024

A novel technique for minimizing energy functional using neural networks

An energy functional describes the equilibrium state of a system. In this work, we present a novel technique, Functional Optimization using Neural Networks (FONN), for minimizing the system’s energy. FONN utilizes neural networks to process information at discrete grid points, considering their interactions with neighboring grid points, to update the state of the system. The training process involves formulating a loss function based on the system’s energy, and with the help of multiple fine-tuning steps, the method employs a progressive energy reduction technique that decreases the energy in multiple steps. FONN’s effectiveness is demonstrated across various problems, including the minimization of the heat and Lyapunov energy. Furthermore, the paper explores the minimization of the elastic bending energy with an area constraint.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Experimental data for damage mechanics simulation challenge

While there are many computational approaches for simulating damage in rock and other materials, few have been ground truth tested with either known experimental data or with blind data sets. Here, in this work, we present a bench-mark laboratory data set for a damage mechanics challenge to compare computational approaches on damage evolution in brittle-ductile materials. The samples were fabricated through additive manufacturing to produce repeatable specimens designed to fail in controlled ways. The failure was induced in the samples using a 3-point bending test to produce different Modes such as Mode I and mixed Modes including I-II, I-III and I-II-III Modes to generate a calibration data set and a blind challenge data set. Data collected included spatial and temporal measurements from traditional digital load–displacement sensors, 2D digital image correlation measurement to map surface deformations, 3D X-ray microscopy to ground-truth the crack-failure geometry, and laser profilometry to capture surface roughness. The data sets are available, on a data repository, to the community to advance computational models to improve our ability to predict damage in brittle-ductile materials.

3-point bending↗
DOE OSTI2022

Fracture toughness and crack propagation in LX-17 and PBX 9502 insensitive high explosives

High explosive materials, and in particular insensitive high explosive (IHE) materials, are of significant interest. TATB-based LX-17 and PBX 9502 are two IHE’s and mechanical properties are an important metric of performance. In this work we present, for the first time, a study of fracture as a function of temperature and displacement rate and starter crack length on billet pressed IHE materials using a standard three point bend technique. We demonstrated that the technique can yield consistent results over time by measuring samples from the same lots 4 years later and observed that the fracture toughness of LX-17 and PBX 9502 are similar. We also determined the temperature dependence for different starter crack lengths and found that the fracture toughness generally decreases with larger starter crack sizes and temperatures. For the LX-17, where a wide temperature range of -60 C to 50 C was investigated, the impact of temperature on fracture toughness between -20 C and 23 C was less than expected. For the PBX 9502 we observed the difference in fracture toughness values between -20 C and 23 C did depend on the particular lot, and also there was a tendency of the fracture toughness to scale with the tensile strength. We also investigated the effect of a lower displacement rate and observed that while the impact on the fracture toughness was relatively small, the samples surprisingly did not break (fail) after exceeding the peak load. We took advantage of this to perform x-ray computed tomography (CT) of the samples to image crack propagation in the intact samples. We observed that cracks were generally straight and unaffected by the microstructure in the LX-17, in contrast to the PBX 9502 where the direction of the cracks would frequently change and were likely influenced by the underlying microstructure.

36 MATERIALS SCIENCE↗