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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering

In this work we explore the possibilities and limitations of using a coherent second phase to engineer the thermo-mechanical properties of a martensitic alloy by modifying the underlying free energy landscape that controls the transformation. We use molecular dynamics simulations of a model atomistic system where the properties of a coherent, nanoscale second phase can be varied systematically. With a base martensitic material that undergoes a temperature-induced transformation from a cubic austenite to a monoclinic martensite, simulations show significant ability to engineer the transformation temperatures, from a ~50% reduction to a ~200% increase, with 50 at.% of the cubic second phase. We establish correlations between the properties of the second phase, the transformation characteristics, and the microstructure via the free energy landscape of the twophase systems. Coherency stresses have a strong influence on the martensitic variants observed and can even cause the non-martensitic second phase to undergo a transformation. Reducing the stiffness of the second phase increases the transformation strain and modifies the martensitic microstructure, increasing the volume fraction of the transformed material. This increase in transformation strain is accompanied by a significant increase in Af and thermal hysteresis, while Ms remains unaltered. Our findings on the tunability of martensitic transformations can be used for informed searches of second phases to achieve desired material properties, such as achieving room temperature, lightweight shape memory alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Influence of nanoscale interfaces on the dynamic deformation and spall failure of Cu–Fe alloy microstructures

Additively manufactured immiscible Cu–Fe alloys can exhibit a distribution of nanoscale interfaces due to the distribution of nanoscale clusters in the equilibrium and metastable phases. Molecular dynamics simulations investigate the role of such interfaces on the phase stability and transformation behavior during shock compression, as well as the mechanisms of damage nucleation during spall failure. The model multiphase Cu–Fe systems studied here comprise a distribution of Fe clusters in an FCC Cu matrix, as well as Cu clusters in a BCC Fe matrix. The length scales of the nanoscale clusters determine the energetics of the interfaces that can result in FCC/BCC (equilibrium) or FCC/FCC (metastable) interfaces in the Cu system matrix, and BCC/FCC (equilibrium) or BCC/BCC (metastable) interfaces in the Fe matrix. The MD simulations demonstrate that nanoscale metastable interface microstructures can induce plastic deformation and also stabilize phases or suppress phase transformations in metastable phase clusters. In contrast, equilibrium interfaces can influence phase transformation thresholds and serve as additional void nucleation sites during failure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Transient Phase-Driven Cyclic Deformation in Additively Manufactured 15-5 PH Steel

The present work extends the examination of selective laser melting (SLM)-fabricated 15-5 PH steel with the 8%-transient-austenite-phase towards fully-reversed strain-controlled low-cycle fatigue (LCF) test. The cyclic-deformation response and microstructural evolution were investigated via in-situ neutron-diffraction measurements. The transient-austenite-phase rapidly transformed into the martensite phase in the initial cyclic-hardening stage, followed by an almost complete martensitic transformation in the cyclic-softening and steady stage. The compressive stress was much greater than the tensile stress at the same strain amplitude. The enhanced martensitic transformation associated with lower dislocation densities under compression predominantly governed such a striking tension-compression asymmetry in the SLM-built 15-5 PH.

15-5 PH stainless steel↗
DOE OSTI2022

Decoupling of strain and temperature effects on microstructural evolution during high shear strain deformation

The interplay between defect generation by shear strain and defect annihilation by local heating is difficult to predict in shear-assisted processing techniques. In this study, we decoupled the effects of high shear strain and external heating in an immiscible Cu-Nb alloy using a pin-on-disk tribometer to mimic the microstructural evolution of material during solid-phase processing. The change in sub-surface deformation, strain distribution, and redistribution of the second phase as a function of temperature were examined using transmission electron microscopy and atom probe tomography. Zener-Hollomon parameter is used to semi-quantify the deformation of Cu-Nb alloys as a function of strain and temperature.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Survival of carbon grains in shocks

Supernova shocks play a significant part in the life of an interstellar grain. In a typical 10 to the 9th power year lifetime, a grain will be hit by an average of 10 shocks of 100 km s(sup -1) or greater velocity, and even more shocks of lower velocity. Evaluation of the results of this frequent shock processing is complicated by a number of uncertainties, but seems to give about 10 percent destruction of silicate grains and about half that for graphite grains. Because of the frequency of shocking, the mineralogy and sizes of the grain population is predominately determined by shock processing effects, and not by the initial grain nucleation and growth environment. One consequence of the significant role played by interstellar shocks is that a certain fraction (up to 5 percent) of the carbon should be transformed into the diamond phase. Diamond transformation is observed in the laboratory at threshold shock pressures easily obtainable in grain-grain collisions in supernova shocks. Yields for transforming graphite, amorphous carbon, glassy carbon, and other nearly pure carbon solids into diamond are quite high. Impurities up to at least the 10 percent level (for oxygen) are tolerated in the process. The typical size diamond expected from shock transformation agrees well with the observed sizes in the Lewis et al. findings in meteoritic material. Isotropic anomalies already contained in the grain are likely to be retained through the conversion process, while others may be implanted by the shock if the grain is close to the supernova. The meteoritic diamonds are likely to be the results of transformation of carbon grains in grain-grain collisions in supernova shock waves.

Seab, C. Gregory↗
NASA NTRS2019

Investigation of Stacking Fault and Antiphase Boundary Segregation in Ni-Based Superalloys Using Density Functional Theory

Ni-base superalloys have a long history of use in jet turbine engines, and efforts to improve their performance in that application are ongoing. It is known that the precipitation of the Ni3Al γ' phase within the disordered FCCγ phase strengthens the overall material. However, in the high-temperature environment found inside a turbine engine during operation, creep can cause the γ' phase to transform to different, weaker phases along stacking faults, leading to a deterioration of performance. In the γ' phase one mode of creep deformation is the formation of stacking fault ribbons, which consist of intrinsic stacking faults further shearing into antiphase boundaries (APBs). It is also known that certain alloying additions exhibit segregation to stacking faults. If segregating elements could be identified which segregate to the intrinsic stacking fault, but not to the APB, the inclusion of such elements could lead to improved creep strength in these alloys. To investigate this possibility, a density functional investigation of the segregation of W, Mo and Cr to both a superlattice intrinsic stacking fault (SISF) and an APB was performed. It was found that W, Mo and Cr all exhibit segregation to the SISF. In contrast, for the APB, Cr was either energy-neutral, or segregates, depending on the presence of additional nearby Cr, or on the specific lattice site upon which it was placed, while Mo and W did not segregate. Because W and Mo segregate to the SISF but not to the APB, the inclusion of these elements could provide a degree of protection against creep-related deterioration.

Good, Brian S.↗
DOE OSTI2021

Dislocation content of grain boundary phase junctions and its relation to grain boundary excess properties

In this work, we analyze the dislocation content of grain boundary (GB) phase junctions, i.e., line defects separating two different GB phases coexisting on the same GB plane. While regular GB disconnections have been characterized for a variety of interfaces, GB phase junctions formed by GBs with different structures and different numbers of excess atoms have not been previously studied. We apply a general Burgers circuit analysis to calculate the Burgers vectors b of junctions in two Σ5 Cu boundaries previously simulated with molecular dynamics. The Burgers vectors of these junctions cannot be described by the displacement shift complete (DSC) lattice alone. We show that, in general, the normal component of b is not equal to the difference in the GB excess volumes but contains another contribution from the numbers of GB atoms per unit area ΔN* required to transform one GB phase into another. In the boundaries studied, the latter component dominates and even changes the sign of b. We derive expressions for the normal and tangential components of b in terms of the DSC lattice vectors and the non-DSC part due to ΔN* and additional GB excess properties, including excess volume and shears. These expressions provide a connection between GB phase transformations driven by the GB free energy difference and the motion of GB junctions under applied normal and shear stresses. The proposed analysis quantifies b and therefore makes it possible to calculate the elastic part of the energy of these defects, evaluate their contribution to the nucleation barrier during GB phase transformations, and treat elastic interactions with other defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Retaining Geochemical Signatures during Aragonite-Calcite Transformation at Hydrothermal Conditions

Transformation of aragonite, a mineral phase metastable at Earth’s surface, to calcite widely occurs in both sedimentary and metamorphic systems with the presence of an aqueous phase. The transformation process can affect geochemical signatures of aragonite (a protolith). This study focused on quantification of the retention of Mg/Ca and Sr/Ca ratios, and δ18O during the transformation process as well as evaluation of the transformation rate. To investigate the effect of transformation from aragonite to calcite on elemental and stable isotope ratios, we conducted a series of experiments in NaCl solutions at temperatures between 120 and 184 °C. Two additional experiments at 250 °C were conducted to estimate the transformation rate of aragonite to calcite. Protolith materials consist of (1) synthetic (Mg; Sr-bearing or non-Mg; Sr bearing) needle-shaped microcrystals of aragonite (<5 µm in size) and (2) larger chips (>100 µm in size) of natural aragonite. X-ray diffraction (XRD) showed that microcrystals successfully transformed to calcite within 30 h and scanning electron microscopy (SEM) yielded a change in the crystal size to >10 µm in rhombohedral shape. Electron backscatter diffraction (EBSD) of the larger aragonite chips showed that transformation to randomly oriented calcite occurred at the rims and along the cracks while the core retained an aragonite crystal structure. Isotope-ratio mass spectrometry (IRMS) analyses showed that calcite δ18O was controlled by temperature and δ18O of the solution. The obtained calibration curve of isotope fractionation factor versus temperature is consistent with other studies. Inductively coupled plasma optical emission spectroscopy (ICP-OES) analyses showed that calcite partially or completely retained Mg/Ca and Sr/Ca ratios through the transformation.

58 GEOSCIENCES↗
DOE OSTI2024

Electron-induced chemical transformation of vapor-phase synthesized hybrid resist materials for EUV and beyond EUV lithography

Here, in this study, we utilize an in situ Fourier transform infrared (FTIR) spectroscopy chamber equipped with an electron flood gun to comprehensively investigate the electron-induced chemical transformations in advanced inorganic–organic hybrid resist thin films. The characteristics of the electron gun were assessed, showing a detectable current decrease with increasing Faraday cup bias voltage, confirming that the electron energies impacting the sample were within the expected range. This unique FTIR system was applied to study two hybrid resist thin-film systems, Al–HQ and Zn–HQ, both exhibiting saturation growth characteristics at 150 °C. Results revealed that Al–HQ demonstrated superior electron sensitivity compared to Zn–HQ at energies ≤ 100 eV. Chemical changes observed were consistent with previous findings, underscoring the potential of this methodology to elucidate exposure mechanisms. This research contributes to the fundamental understanding necessary for the development of advanced resist materials for the next-generation nanolithography applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Metaplectic geometrical optics for modeling caustics in uniform and non-uniform media

As an approximate theory that is highly regarded for its computational efficiency, geometrical optics (GO) is widely used for modeling waves in various areas of physics. However, GO fails at caustics, which significantly limits its applicability. A new framework, called metaplectic geometrical optics (MGO), has recently been developed that allows caustics of certain types to be modeled accurately within the GO framework. Here, we extend MGO to the most general case. Further, to illustrate our new theory, we also apply it to several sample problems, including calculations of two-dimensional wavefields near fold and cusp caustics. In contrast with traditional GO solutions, the corresponding MGO solutions are finite everywhere and approximate the true wavefield well near these caustics.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1971

Acquisition and performance of a problem-solving skill.

The acquisition of skill in the performance of a three-phase code transformation task (3P-COTRAN) was studied with 20 subjects who solved 27 3P-COTRAN problems during each of 8 successive sessions. The purpose of the study was to determine the changes in the 3P-COTRAN factor structure resulting from practice, the distribution of practice-related gains in performance over the nine measures of the five 3P-COTRAN factors, and the effects of transformation complexities on the 3P-COTRAN performance of subjects. A significant performance gain due to practice was observed, with improvements in speed continuing even when accuracy reached asymptotic levels. Transformation complexity showed no effect on early performances but the 3- and 4-element transformations were solved quicker than the 5-element transformation in the problem-solving Phase III of later skilled performances.

Morgan, B. B., Jr.↗
NASA NTRS1982

Combinational logic for generating gate drive signals for phase control rectifiers

Control signals for phase-delay rectifiers, which require a variable firing angle that ranges from 0 deg to 180 deg, are derived from line-to-line 3-phase signals and both positive and negative firing angle control signals which are generated by comparing current command and actual current. Line-to-line phases are transformed into line-to-neutral phases and integrated to produce 90 deg phase delayed signals that are inverted to produce three cosine signals, such that for each its maximum occurs at the intersection of positive half cycles of the other two phases which are inputs to other inverters. At the same time, both positive and negative (inverted) phase sync signals are generated for each phase by comparing each with the next and producing a square wave when it is greater. Ramp, sync and firing angle controls signals are than used in combinational logic to generate the gate firing control signals SCR gate drives which fire SCR devices in a bridge circuit.

Dolland, C. R.↗
NASA NTRS2011

Phase-Shifting Zernike Interferometer Wavefront Sensor

The canonical Zernike phase-contrast technique1,2,3,4 transforms a phase object in one plane into an intensity object in the conjugate plane. This is done by applying a static pi/2 phase shift to the central core (approx. lambda/D) of the PSF which is intermediate between the input and output planes. Here we present a new architecture for this sensor. First, the optical system is simple and all reflective. Second, the phase shift in the central core of the PSF is dynamic and or arbitrary size. This common-path, all-reflective design makes it minimally sensitive to vibration, polarization and wavelength. We review the theory of operation, describe the optical system, summarize numerical simulations and sensitivities and review results from a laboratory demonstration of this novel instrument

wavefront sensing↗
DOE OSTI2026

Intrinsic topological Weyl phase transition induced by a magnetostructural transformation in a kagome magnet

Topological phase transitions provide a unique window into the interplay between structure, magnetism, and Weyl physics in magnetic Weyl semimetals. However, realizing an intrinsic Weyl phase transition between two distinct Weyl states near room temperature remains challenging. Here, we demonstrate that a magnetostructural transition effectively induces such a transition in the kagome magnet Mn3Ga. High-resolution neutron diffraction, magnetization characterizations and first-principles calculations reveal that Mn3Ga undergoes a chiral antiferromagnetic transition below 485 K, followed by a magnetostructural transition to a monoclinic structure with highly canted antiferromagnetic order near room temperature. These cooperative changes in lattice and magnetic symmetries reorganize Weyl nodes, driving a transition from a primary type-II Weyl state to a distinct Weyl state, accompanied by dramatic variations in the anomalous Hall effect and appearance of topological Hall effect. Our findings open a new pathway for discovering novel topological Weyl states and advancing potential spintronic applications.

Yang, Tsung-Han [ORNL] (ORCID:000000030186302X)↗
DOE OSTI2020

Phase estimation algorithm for the multibeam optical metrology

Unitary Fourier transform lies at the core of the multitudinous computational and metrological algorithms. Here we show experimentally how the unitary Fourier transform-based phase estimation protocol, used namely in quantum metrology, can be translated into the classical linear optical framework. The developed setup made of beam splitters, mirrors and phase shifters demonstrates how the classical coherence, similarly to the quantum coherence, poses a resource for obtaining information about the measurable physical quantities. Our study opens route to the reliable implementation of the small-scale unitary algorithms on path-encoded qudits, thus establishing an easily accessible platform for unitary computation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1984

Crystallization of heavy metal fluoride glasses

The kinetics of crystallization of a number of fluorozirconate glasses were studied using isothermal and dynamic differential scanning calorimetry and X-ray diffraction. The addition of the fluorides LiF, NaF, AlF3, LaF3 to a base glass composition of ZrF4-BaF2 reduced the tendency to crystallize, probably by modifying the viscosity-temperature relation. ZrF4-BaF2-LaF3-AlF3-NaF glass was the most stable against devitrification and perhaps is the best composition for optical fibers with low scattering loss. Some glasses first crystallize out into metastable beta-BaZr2F10 and beta-BaZrF6 phases, which transform into the most stable alpha-phases when heated to higher temperatures. The size of the crystallites was estimated to be about 600 A from X-ray diffraction.

Bansal, Narottam P.↗