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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 OSTI2025

Simulation Tools for Characterizing Stress Distribution in Laser Welded Dissimilar Joints

This project focuses on developing a thermo-metallurgical-mechanical modeling method to accurately predict the microstructural evolution and residual stress in laser welding between dissimilar metals, such as HSLA steel and high carbon equivalent (CE) gear steel. The method leverages a comprehensive material database to model the temperature and rate dependent phase transformations, along with their associated effects on material properties, such as thermal expansion and flow stress, throughout the welding process. A key innovation is the incorporation of phase transformation and phase-specific properties, which enhances the accuracy of residual stress predictions. The mixture material in the fusion zone due to the dissimilar metals will also be addressed in the numerical model. This is especially critical in scenarios involving phase transformations in the fusion zone and heat-affected zone (HAZ), where the phase changes can induce substantial residual stress variations. The material database has been generated using JMatPro. The modeling approach is implemented through a custom User Material (UMAT) subroutine, executed with the commercial finite element software Abaqus.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Large room-temperature elastocaloric effect in a bulk polycrystalline Ni-Ti-Cu-Co alloy with low isothermal stress hysteresis

Creation of high-performance advanced elastocaloric materials is essential for the execution of elastocaloric refrigeration that can be an environment-friendly and high-efficiency substitute for the widely used traditional vapor-compression cooling technology. Here we have developed a bulk polycrystalline Ni-Ti-Cu-Co shape memory alloy exhibiting large elastocaloric effect, low stress hysteresis and room temperature working temperature, all of which are of great importance to and urgently demanded for high-efficiency room-temperature elastocaloric refrigeration. This newly developed (Ni 42.5 Ti 50 Cu 7.5 ) 99 Co 1 alloy shows a large room-temperature elastocaloric effect with directly measured adiabatic temperature change up to -14.4 K during unloading. The stress hysteresis of the isothermal superelastic stress-strain curve is as low as 60 MPa when the maximum tensile strain is 2.7%. Owing to the large elastocaloric effect and low stress hysteresis, a very high coefficient of performance up to 19 is achieved on the material level. This newly developed (Ni 42.5 Ti 50 Cu 7.5 ) 99 Co 1 alloy is a robust candidate for efficient elastocaloric refrigeration. Advanced in-situ synchrotron high-energy X-ray diffraction technique was employed to reveal the phase transformation sequence and to accurately determine the crystal structure of different phases, based on which the lattice compatibility between the transforming phases was evaluated and the phase transformation strain was predicted, providing in-depth fundamental understanding of the martensitic transformation in this newly developed alloy. This work could be useful for designing high-performance elastocaloric materials for solid-state cooling applications.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Shape-memory alloy micro-actuator

A method of producing an integral piece of thermo-sensitive material, which is responsive to a shift in temperature from below to above a phase transformation temperature range to alter the material's condition to a shape-memory condition and move from one position to another. The method is characterized by depositing a thin film of shape-memory material, such as Nickel titanium (Ni-Ti) onto a substrate by vacuum deposition process such that the alloy exhibits an amorphous non-crystalline structure. The coated substrate is then annealed in a vacuum or in the presence of an inert atmosphere at a selected temperature, time and cool down rate to produce an ordered, partially disordered or fully disordered BCC structure such that the alloy undergoes thermoelastic, martinsetic phase transformation in response to alteration in temperature to pass from a martinsetic phase when at a temperature below a phase transformation range and capable of a high level of recoverable strain to a parent austenitic phase in a memory shape when at a temperature above the phase transformation range. Also disclosed are actuator devices employing shape-memory material actuators that deform from a set shape toward an original shape when subjected to a critical temperature level after having been initially deformed from the original shape into the set shape while at a lower temperature. The actuators are mechanically coupled to one or more movable elements such that the temperature-induce deformation of the actuators exerts a force or generates a motion of the mechanical element(s).

Busch, John D.↗
DOE OSTI2023

Disorder-order transformation in Fe-50%Co fabricated via laser powder bed fusion

Fe-Co alloys are an important class of soft magnetic materials that often pose challenges in their fabrication because of the brittle B2-ordered phase. We show that laser beam powder bed fusion (PBF-LB), owing to its rapid cooling rates, offers an avenue for the fabrication of these alloys by suppressing the disorder →order phase transformation at room temperature. We use neutron diffraction to understand the phase transformations in a Fe-50%Co alloy fabricated via PBF-LB. We report that the disorder→order phase transformation in this alloy occurs concurrently via homogeneous ordering and classical nucleation and growth.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Deciphering the multiple deformation mechanisms responsible for sustained work hardening in a FeCrCoNi medium entropy alloy

Two important and desirable properties of materials for most structural applications are high tensile strength and ductility, which typically require high work hardening to delay necking. Here, in this work, we designed and tensile tested a face-centered cubic (fcc) Fe-Cr-Co-Ni medium-entropy alloy in which multiple deformation mechanisms are triggered during tensile loading at different temperatures to induce sustained work hardening. Our strategy involved control of the relative stabilities of the fcc, hcp (hexagonal close-packed), and bcc (body-centered cubic) phases in this quaternary system via high-throughput thermodynamic calculations. This alloy not only exhibits extensive deformation-induced nanotwinning at room temperature, but also displays a two-step sequential phase transformation [γ (fcc) → ε (hcp) martensite → α’ (bcc) martensite] at 77 K, which contrasts with the single-step phase transformation [γ → ε martensite] observed in many other fcc high/medium entropy alloys with a low stacking fault energy. The sequence of phase transformation at 77K was supported by first-principles density functional theory calculations. This work provides new templates for the design of alloys capable of multiple deformation mechanisms for sustained work hardening.

36 MATERIALS SCIENCE↗
DOE OSTI2026

From Cryogenic to High Temperatures: A Microstructural Evolution of δ-phase Pu-Ga Alloys Investigated by Time-of-Flight High-resolution Neutron Diffraction

Phase stability and phase transformations in binary Pu alloys are critical for multiple applications. Long-term phase stability affects mechanical properties, microstructure, corrosion behavior, and structural integrity. A clear and detailed understanding of phase transformations and phase stability mechanisms is necessary to assess the behavior and response to unexpected stimuli. Gaining advanced knowledge on the behavior of Pu and Pu alloys at a variety of temperatures, pressures, and time will ensure better predictions and control on evolution outside laboratory measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effects of Minor Alloying Elements and Impurities on Long-Range Ordering in Ni-Cr-Based Alloys

There is growing concern about long-range ordered Ni2Cr phase forming during thermal aging of Ni-Cr-based alloys (e.g., 690, 625), which leads to lattice contraction, hardening, and embrittlement, possibly limiting the service life of light water reactor components. The timespan when this phase transformation occurs can vary in orders of magnitude between model and commercial alloys and is likely related to the presence of major (e.g., Fe, Mo) and minor alloying elements (e.g., Ti, Si, Nb). These minor alloying elements have been hypothesized to bind with vacancies and therefore limit diffusion. Contrarily, impurities (e.g., P, S) are believed to enhance vacancy diffusion and accelerate the Ni2Cr phase transformation because of a vacancy drag mechanism. This study implements experimental isothermal aging of model Ni-Cr binary and Ni-Cr-X ternary alloys, where X is Ti, Si, Nb, and P to help understand how each minor alloying element affects the Ni2Cr phase transformation timeline. Synchrotron-based X-ray diffraction and hardness measurements are used to quantify the evolution of the Ni2Cr phase transformation through a variety of short aging times to identify the onset of long-range order. These experimental results are compared to first principles simulations from literature to understand the mechanism by which each element impacts vacancy diffusion and the formation of the long-range ordered phase, Ni2Cr.

36 - MATERIALS SCIENCE↗
DOE OSTI2020

In-Operando Study of Shape Retention and Microstructure Development in a Hydrolyzing Sol–Gel Ink during 3D-Printing

3D printing of amorphous and crystalline ceramics is of paramount importance for the fabrication of a wide range of devices with applications across different technology fields. Printed ceramics are remarkably enabled by the sol-gel synthesis method in conjunction with continuous filament direct ink writing. During printing, multiple processes contribute to the evolution of inks including shape retention, chemical conversion, solidification, and microstructure formation. Traditionally, depending on the ink composition and printing environment, several mechanisms have been associated with the shape retention and solidification of 3D printed structures: gelation, rapid solvent evaporation, energy-driven phase transformation, and chemical-driven phase transformation. Understanding the fundamental differences between these mechanisms becomes key since they strongly influence the spatiotemporal evolution of the materials, as the out-of-equilibrium processes inherent to the extrusion, relaxation, and solidification of printed materials have significant effects on the materials properties. Herein, we investigate the shape retention mechanism and the hydrolysis-induced material conversion and microstructure formation during the 3D printing of a water reactive sol-gel ink that transforms into titanium dioxide-based ceramic. This study aims at identifying characteristic mechanisms associated with the material transformation, establishing connections between the microstructure development and the timescales associated with solidification under operando 3D-printing conditions. The investigation of this material's out-of-equilibrium pathways under processing conditions is enabled by time-resolved coherent X-ray scattering, providing simultaneous access to temporospatially resolved microstructural and dynamics information. Furthermore, we explore X-ray speckle tracking as a tool to resolve deformations of the microstructure in a printed filament associated with the deposition of consecutive filaments. Through this work, we aim at providing a fundamental understanding of the relationships behind these transformative processes in 3D printing and their timescales as the basis for achieving unprecedented control over printed materials microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Transformer system

A flexible transformer system includes conductive windings extending around a magnetic core of a transformer phase and impedance-varying windings extending around the magnetic core of the transformer phase. The conductive windings and the impedance-varying windings are configured to conduct electric current around the magnetic core of the transformer phase. The system includes an impedance switch coupled with the impedance-varying windings and with the conductive windings. The impedance switch is configured to change an impedance of the system by changing which impedance-varying winding of the impedance-varying windings is conductively coupled with the conductive windings and which impedance-varying winding of the impedance-varying windings is disconnected from the conductive windings.

Premerlani, William James↗
NASA NTRS2014

Development and Characterization of Embedded Sensory Particles Using Multi-Scale 3D Digital Image Correlation

A method for detecting fatigue cracks has been explored at NASA Langley Research Center. Microscopic NiTi shape memory alloy (sensory) particles were embedded in a 7050 aluminum alloy matrix to detect the presence of fatigue cracks. Cracks exhibit an elevated stress field near their tip inducing a martensitic phase transformation in nearby sensory particles. Detectable levels of acoustic energy are emitted upon particle phase transformation such that the existence and location of fatigue cracks can be detected. To test this concept, a fatigue crack was grown in a mode-I single-edge notch fatigue crack growth specimen containing sensory particles. As the crack approached the sensory particles, measurements of particle strain, matrix-particle debonding, and phase transformation behavior of the sensory particles were performed. Full-field deformation measurements were performed using a novel multi-scale optical 3D digital image correlation (DIC) system. This information will be used in a finite element-based study to determine optimal sensory material behavior and density.

Cornell, Stephen R.↗
DOE OSTI2022

Composition Dependent Electrochemical Properties of Earth-Abundant Ternary Nitride Anodes

Growing energy storage demands on lithium-ion batteries necessitate exploration of new electrochemical materials as next-generation battery electrode materials. In this work, we investigate the previously unexplored electrochemical properties of earth-abundant and tunable Zn 1-x Sn 1+x N 2 (x = -0.4 to x = 0.4) thin films, which show high electrical conductivity and high gravimetric capacity for Li insertion. Enhanced cycling performance is achieved compared to previously published end-members Zn 3 N 2 and Sn 3 N 4 , showing decreased irreversible loss and increased total capacity and cycle stability. The average reversible capacity observed is >1050 mAh/g for all compositions and 1220 mAh/g for Zn-poor (x = 0.2) films. Extremely Zn-rich films (x = -0.4) show improved adhesion; however, Zn-rich films undergo a phase transformation on the first cycle. Zn-poor and stoichiometric films do not exhibit significant phase transformations which often plague nitride materials and show no required overpotential at the 0.5 V plateau. Cation composition x is explored as a mechanism for tuning relevant mechanical and electrochemical properties, such as capacity, overpotential, phase transformation, electrical conductivity, and adhesion. The lithiation/delithiation experiments confirm the reversible electrochemical reactions. Without any binding additives, the as-deposited electrodes delaminate resulting in fast capacity degradation. We demonstrate the mechanical nature of this degradation through decreased electrode thinning, resulting in cells with improved cycling stability due to increased mechanical stability. Combining composition and electrochemical analysis, this work demonstrates for the first time composition dependent electrochemical properties for the ternary Zn 1-x Sn 1+x N 2 and proposes earth-abundant ternary nitride anodes for increased reversible capacity and cycling stability.

25 ENERGY STORAGE↗
NASA NTRS1992

Growth and characterization of lead bromide crystals

Lead(II) bromide was purified by a combination of directional freezing and zone-refining methods. Differential thermal analysis of the lead bromide showed that a destructive phase transformation occurs below the melting temperature. This transformation causes extensive cracking, making it very difficult to grow a large single crystal. Energy of phase transformation for pure lead bromide was determined to be 24.67 cal/g. To circumvent this limitation, crystals were doped by silver bromide which decreased the energy of phase transformation. The addition of silver helped in achieving the size, but enhanced the inhomogeneity in the crystal. The acoustic attenuation constant was almost identical for the pure and doped (below 3000 ppm) crystals.

Singh, N. B.↗
DOE OSTI2021

Transformations to amorphous and X-type phases in swift heavy ion-irradiated Ln 2 O 3 and Mn 2 O 3

The intense, highly localized electronic excitation resulting from swift heavy ion irradiation induces phase transformations in many materials, including the lanthanide sesquioxides (Ln 2 O 3 ). To explore the effects of chemical composition on radiation-induced transformations, the structural responses of several related sesquioxides to swift heavy ion irradiation were compared. Polycrystalline Nd 2 O 3 , Eu 2 O 3 , Yb 2 O 3 , and Mn 2 O 3 were irradiated by 946 MeV Au ions to a range of ion fluences up to 2 × 10 13 cm -2 , and structural modifications were characterized using beamline-based in situ x-ray diffraction (XRD) and Rietveld refinement. Amorphization was induced in Nd 2 O 3 , Eu 2 O 3 , and Mn 2 O 3 , with the extent of the induced transformation following a clear dependence on cation ionic radius. Nd 2 O 3 and Eu 2 O 3 , having the largest cations, rapidly amorphized, whereas Mn 2 O 3 , having the smallest cation, experienced only a slight loss of crystallinity at the highest fluences studied. The radiation response was different for Yb 2 O 3 , which underwent a sluggish transformation to a nonequilibrium X-type phase. Furthermore, the crystalline-to-amorphous transformations proceeded by direct-impact mechanisms, while the C-to-X transformation proceeded by a multi-impact mechanism.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Reduction of Iron (III) Oxide in Microwaves Toward Gasification Studies

The purpose of this study is to reduce hematite (Fe2O3) using hydrogen (H2), carbon monoxide (CO), and methane (CH4) gases using microwave irradiation. Conventional temperature programmed reduction of iron phase transformation under H2, CO, and CH4 agree with the literature. Furthermore, the activation energy for the iron phase transformation in a conventional reactor was in the order of H2>CO>CH4, suggesting that CH4 was the best reductant to initiate the reduction at a much lower temperature than CO, and CO was significantly better than H2 atmosphere. Due to the uneven temperature distribution, the apparent activation energy of microwave reduction under H2 was approximately 1/4th when compared to the conventional reduction in H2. X-ray diffraction (XRD) analysis showed a mixed oxide phase in microwave reduction as opposed to the clear phase transformation in conventional studies. To combat the temperature measurement issues in microwave studies, fiber optic sensors and Forward Looking InfraRed (FLIR) sensors were used to acquire the actual temperature distribution in the catalyst bed. Therefore, a reasonably accurate activation energy estimation was achieved in the catalyst bed. Combining these with the characterization and quantification of the different iron phases in microwave reduction will provide a blueprint for future microwave-assisted gasification studies.

Aireddy, Divakar Reddy↗
DOE OSTI2024

Kinetics of HCP-BCC Phase Transition Boundary in Magnesium at High Pressure

Under high pressures, many crystalline metals undergo solid–solid phase transformations. In order to accurately model the behavior of materials under extreme loading conditions, it is essential to understand the kinetics of phase transition. Using molecular dynamics simulations, this work demonstrates the feasibility of characterizing the speeds of a moving phase boundary using atomistic simulations employing a suitable empirical potential for single-crystal magnesium. The model can provide temperature- and tensorial stress-dependent velocity of a moving phase boundary as a rate-limiting contribution to the kinetics of phase transformation in continuum codes. Results demonstrate that a nonlinear interaction exists between plasticity and phase transition, facilitating a jump in the velocity of a moving phase boundary, facilitated by activated plastic deformation mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In Situ Characterization of Ferroelectric HfO 2 During Rapid Thermal Annealing

Thermal annealing is critical in governing the phase distribution, and ultimately the electrical properties, of ferroelectric hafnium oxide films. In particular, rapid thermal annealing (RTA) has been shown to favor the formation of ferroelectric crystal phases, but the dynamic behavior of the film over the course of the anneal is not well understood. Herein, synchrotron X-ray diffraction is used to characterize the phase distribution of HfO 2 films deposited by atomic layer deposition (ALD) in situ during RTA, revealing complex phase transformations occurring on the scale of seconds. All samples investigated here transform into a nonmonoclinic phase, which is required for ferroelectric films. However, this phase often converts into the more stable monoclinic phase as annealing proceeds. The kinetic barrier to the transformation to the monoclinic phase during heating is higher than 1 eV f.u. -1 In this work, the initial crystallization into the ferroelectric phase and relatively high barrier to transformation to the nonferroelectric phase suggests that careful control of the thermal annealing profile can greatly increase the ferroelectric fraction of the film. By using a fast ramp rate and a short annealing time above the ferroelectric crystallization temperature, the remanent polarization of a pure HfO 2 film can be increased more than twofold.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-pressure phase transitions in a laser directed energy deposited Fe-33Cu Alloy

Here, additively manufactured Fe-Cu alloys contain both equilibrium face-centered cubic (FCC) and metastable body-centered cubic (BCC) crystal structure Cu precipitates depending on their size. However, the stability of these nanoscale precipitates under extreme conditions such as high pressures has not been reported. This study investigates the phase transformations and microstructural stability of laser directed energy deposition (DED-LB) made Fe67Cu33 alloy (nominal composition in at.%) under high static pressure deformation using in-situ synchrotron X-ray diffraction under pressure, postmortem high-resolution scanning transmission electron microscopy (HR-STEM), and molecular dynamics (MD) simulations. In-situ XRD results reveal a reversible phase transformation from BCC to the hexagonal close-packed (HCP) structure in the Fe grains at an onset pressure of 16.4 GPa, significantly higher than reported in the literature for pure Fe. Although no high-pressure phase transition was observed in the FCC Cu grains through XRD, HR-STEM analysis uncovers a phase transition to the HCP structure in nanoscale metastable BCC Cu precipitates within the BCC Fe matrix. After decompression, the Fe matrix reverted back to the BCC structure with periodic lath martensite, while regions of the nanoscale BCC Cu precipitates retained the metastable HCP structure. MD simulations support the BCC → HCP transition in the embedded nanoscale coherent Cu precipitates, consistent with the classical Burgers mechanism. Thus, by leveraging in-situ XRD observation, postmortem high-resolution S/TEM microscopy, and MD simulations, this study offers profound insights into the distinctive phase transformations induced by high pressure in DED-LB Fe67Cu33 alloy, which is distinguished by its hierarchical microstructure.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Effects of Dopant on Depoling Temperature in Modified BiScO3 - PbTiO3

In recent years there has been a renewed interest for high temperature piezoelectrics for both terrestrial and aerospace applications. These applications are limited in part by the operating temperature, which is usually taken as one half of the Curie temperature (Tc), and is 200C for one of the most widely used commercial piezoelectrics, Pb(Zr,Ti)O3 (PZT). In an effort to increase Tc, subsequent research into high temperature Bi(BB)O3 PbTiO3 piezoelectrics led to the discovery of the morphotropic phase boundary (MPB) in the high-Tc BiScO3 PbTiO3 (BS-PT) system with a Tc of 460C and a d33 of 460 pmV. The Tc marks the ferroelectric to paraelectric phase transformation and while, in general, a phase transformation leads to thermal depoling in piezoelectrics with low or moderate Tcs, for high Tc piezoelectrics thermally assisted dipole rotation can lead to randomization of domains at temperatures below Tc. It becomes necessary to determine the depoling temperature (Td) which dictates the actual working temperature range. By doping for Sc and Ti the Td can be shifted while maintaining similar electromechanical properties as a function of temperature. The effect of this B-site doping on depoling temperature has been explored through the characterization of microstructure and weakhigh field measurements.

Actuator↗