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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Superconducting films of MgB 2 via ion beam mixing of Mg/B multilayers

The growth of smooth superconducting MgB 2 films in a non-epitaxial regime is challenging. Here, we study the formation of superconducting MgB 2 films by solid-phase reactive inter-diffusion of sputter-deposited Mg/B multilayers, employing ion beam mixing to disperse the multilayers prior to thermal annealing. The multilayers are intermixed by room-temperature bombardment with 500 keV Xe ions to doses up to 4 × 10 16 cm –2 , followed by thermal annealing to form MgB 2 . Results show that such an intermixing step leads to a dramatic reduction in surface roughness of superconducting films. However, lattice defects produced by ion bombardment reduce the critical superconducting transition temperature, an effect which scales monotonically with ion dose. The critical temperature can be recovered by an additional defect annealing step at $700\ ^{\circ}{\rm C}$.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Protein Crystallization: Specific Phenomena and General Insights on Crystallization Kinetics

Experimental and simulation studies of the nucleation and growth kinetics of proteins have revealed phenomena that are specific for macromolecular crystallization, and others that provide a more detailed understanding of solution crystallization in general. The more specific phenomena, which include metastable liquid-liquid phase separations and gelation prior to solid nucleation, are due to the small ratio of the intermolecular interaction-range to the size of molecules involved. The apparently more generally applicable mechanisms include the cascade-like formation of macrosteps, as an intrinsic morphological instability that roots in the coupled bulk transport and nonlinear interface kinetics in systems with mixed growth rate control. Analyses of this nonlinear response provide (a) criteria for the choice of bulk transport conditions to minimize structural defect formation, and (b) indications that the "slow" protein crystallization kinetics stems from the mutual retardation of growth steps.

Rosenberger, F.↗
DOE OSTI2021

Long-Term 13 C Uptake by 12 C-Enriched Calcite

Knowledge of the exchange of carbon isotopes between dissolved inorganic carbon and calcite minerals is of long-standing importance for the interpretation of sedimentary paleoclimate records and 14 C transport in the geosphere. To assess the mechanism and rates of carbon isotope exchange, we equilibrated 12 C-pure synthetic calcite particles in water, first in a glovebox and then in contact with atmospheric P CO 2 and 13 C/ 12 C ratio, at two different temperatures. Cavity ring-down infrared spectroscopy δ 13 C measurements of the solid revealed sustained 13C incorporation for over a period of 500 days (21 °C) and 125 days (50 °C). We developed a quantitative model for recrystallization and isotope exchange, assuming that the interfacial free energy provides a thermodynamic driving force for the growth of larger particles at the expense of smaller ones. Furthermore, this Ostwald ripening model did not reproduce the kinetics of 13C uptake and required greater coarsening than observed. Rather, the data were best explained by a mechanism involving surface exchange and solid-phase diffusion of 13C into the particles with an inferred effective diffusion constant at 21 °C of about 10 –25 m 2 /s. Although this work cannot rule out the possibility that structural or chemical aspects of the synthetic particles enabled faster 13 C uptake than could be observed in natural systems, this study adds to the body of the recent work, suggesting that fast exchange processes are possible, likely through grain boundaries and other defects.

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

Materials Characterization, Prediction, and Control Project: Summary Report on Material Characterization, Part 1

The Pacific Northwest National Laboratory (PNNL) undertook the Materials Characterization, Prediction, and Control (MCPC) Laboratory Directed Research and Development Project to advance understanding of nuclear material processing and enable multifold acceleration in the development and qualification of new material systems in national security and advanced energy applications (Smith 2021). The MCPC Project executed research across three scientific vertices—material characterization, predictive modeling, and data analytics—with extensive support by a data curation and management team. The central technical objective in the MCPC Project was to improve the prediction and characterization of the process-structure-property relationships within the microstructurally refined region of stainless-steel samples prepared utilizing friction stir processing (FSP). Application of the FSP technique is well established at PNNL within the Solid Phase Processing capability through many years of investment across a range of materials and applications (PNNL 2024). Three distinct rounds of FSP experiments were performed by the experimental team, producing replicate samples utilizing across different nominal processing conditions (Condition IDs) listed in Table 1. The starting material on which FSP was applied was commercially available unprocessed stainless-steel type 316L material. Chosen processing conditions were very diverse, and some were intentionally chosen to produce defects. Several samples experienced tool breakage during experimentation, so a full set of three replicates was not produced for every nominal processing condition.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Novel Technology of Non-Contact Real-Time Radiation Damage Sensor for High Power Targets

High-power proton beams planned for forthcoming long-baseline neutrino experiments will subject solid targets to unprecedented radiation damage, threatening reliability and increasing costs. To address this challenge, we are building a real-time, non-contact sensor that tracks damage by measuring broadband laser reflectivity changes from the target surface. A low-power super-continuum Class 3B laser illuminates the sample inside a vacuum test chamber while a high-resolution fiber-coupled spectrometer captures S- and P-polarized light; spectral shifts reveal defect-driven variations in optical constants. My internship goal is to design, build, and commission this prototype by implementing a laser-safety interlock and light shield, integrating remote-operation cameras, and fabricating modular 3-D-printed mounts that enable tool-free swaps without disturbing alignment. The laser, spectrometer, and vacuum chamber have been delivered; interlock hardware, cameras, and mounts are in final assembly, and leak testing of the chamber is underway. Upcoming work will focus on initial calibration of the sensor and executing first beam-irradiation studies.

Pumarino, Rafael↗
NASA NTRS1985

Crystal Growth Research in Space

The objectives of this work are to develop growth techniques and theory leading to improved bulk growth of semiconductor single crystals. Ground based experiments will be complemented by experiments carried out in the low-g environment provided by the space shuttle. Analytical studies and laboratory investigations are being conducted to better define the causes of crystalline defects and inhomogeneities. The compound semiconductor lead-tin-telluride is being used as the modeling material. Theoretical techniques are being developed to predict the thermal and solutal fields which are present during bulk growth from a melt. Techniques for measuring the thermophysical properties of semiconductors at high temperatures have been developed. During the past year electrochemical etching techniques have been developed for delineation of inhomogeneous regions in crystals. Thermal diffusivity measurements have been completed for the solid and liquid phases of PbTe and PbSnTe. Preliminary results have been obtained on the effects on crystal morphology of gravity, interface shape and interaction between the melt and the container.

Crouch, R. K.↗
DOE OSTI2024

Machine learning potential assisted exploration of complex defect potential energy surfaces

Abstract Atomic-scale defects generated in materials under both equilibrium and irradiation conditions can significantly impact their physical and mechanical properties. Unraveling the energetically most favorable ground-state configurations of these defects is an important step towards the fundamental understanding of their influence on the performance of materials ranging from photovoltaics to advanced nuclear fuels. Here, using fluorite-structured thorium dioxide (ThO 2 ) as an exemplar, we demonstrate how density functional theory and machine learning interatomic potential can be synergistically combined into a powerful tool that enables exhaustive exploration of the large configuration spaces of small point defect clusters. Our study leads to several unexpected discoveries, including defect polymorphism and ground-state structures that defy our physical intuitions. Possible physical origins of these unexpected findings are elucidated using a local cluster expansion model developed in this work.

36 MATERIALS SCIENCE↗
NASA NTRS2012

Damage Tolerance Behavior of Friction Stir Welds in Aluminum Alloys

Friction stir welding is a solid state welding process used in the fabrication of various aerospace structures. Self-reacting and conventional friction stir welding are variations of the friction stir weld process employed in the fabrication of cryogenic propellant tanks which are classified as pressurized structure in many spaceflight vehicle architectures. In order to address damage tolerance behavior associated with friction stir welds in these safety critical structures, nondestructive inspection and proof testing may be required to screen hardware for mission critical defects. The efficacy of the nondestructive evaluation or the proof test is based on an assessment of the critical flaw size. Test data describing fracture behavior, residual strength capability, and cyclic mission life capability of friction stir welds at ambient and cryogenic temperatures have been generated and will be presented in this paper. Fracture behavior will include fracture toughness and tearing (R-curve) response of the friction stir welds. Residual strength behavior will include an evaluation of the effects of lack of penetration on conventional friction stir welds, the effects of internal defects (wormholes) on self-reacting friction stir welds, and an evaluation of the effects of fatigue cycled surface cracks on both conventional and selfreacting welds. Cyclic mission life capability will demonstrate the effects of surface crack defects on service load cycle capability. The fracture data will be used to evaluate nondestructive inspection and proof test requirements for the welds.

McGill, Preston↗
NASA NTRS2016

Formation of Oxides in the Interior of Friction Stir Welds

In friction stir welding (FSWing) the actual solid state joining takes place between the faying surfaces which form the weld seam. Thus the seam trace is often investigated for clues when the strength of the weld is reduced. Aluminum and its alloys are known to form a native, protective oxide on the surface. If these native surface oxides are not sufficiently broken up during the FSW process, they are reported to remain in the FSW interior and weaken the bond strength. This type of weld defect has been referred to as a lazy "S", lazy "Z", joint line defect, kissing bond, or residual oxide defect. Usually these defects are mitigated by modification of the process parameters, such as increased tool rotation rate, which causes a finer breakup of the native oxide particles. This study proposes that there may be an alternative mechanism for formation of oxides found within the weld nugget. As the oxidation rate increases at elevated temperatures above 400ºC, it may be possible for enhanced oxidation to occur on the interior surfaces during the FSW process from entrained air entering the seam gap. Normally, FSWs of aluminum alloys are made without a purge gas and it is unknown how process parameters and initial fit up could affect a potential air path into the interior during the processing. In addition, variations in FSW parameters, such as the tool rotation, are known to have a strong influence on the FSW temperature which may affect the oxidation rate if internal surfaces are exposed to entrained air. A series of FSWs were made in 3 different thickness panels of AA2219 (0.95, 1.27 and 1.56 cm) at 2 different weld pitches. As the thickness of the panels increased, there was an increased tendency for a gap to form in advance of the weld tool. If sufficient air is able to enter the workpiece gap prior to consolidation, the weld temperature can increase the oxidation rate on the interior surfaces. These oxidation rates would also be accelerated in areas of localized liquation. Metallographs from the weld panels showed indications of liquation at the grain boundaries. In FSWs of thicker panels, these regions of liquation were found to be heavily oxidized. The quality of the FSWs was evaluated from tensile testing at room temperature. As the panel thickness increased, a slight decrease in tensile strength was observed which was attributed to the presence of oxides. No oxide formation was observed in the thinner workpieces, although there were indications of localized liquation at the grain boundaries. Results from this study will assist in a better understand of the mechanisms of oxide formation in FSW interiors and provide methodology for minimizing their occurrence.

Schneider, Judy↗
DOE OSTI2023

Methodology for Thermodynamic Analysis Coupled with Computational Fluid Dynamics Modeling for Casting a Novel Aluminum–Cerium Alloy

In this paper, we present the results of computational fluid dynamics (CFD) analysis to assess castability, porosity, molten metal fluidity and other technological properties of a new Al-Ce alloy. A thermodynamic analysis of a new Al-Ce alloy is done to obtain the physical properties as a function of temperature across both solid and liquid phases. These properties are then used to build the CFD of model the full casting process from initial pouring through to final solidification of the part, here an example of a heavy duty mor mount is used. While several excellent commercial CFD codes exists this process shows that CFD can be used to assess the capability of the alloy to properly fill the mold, as well as give predictions where scattered porosity or large-scale defects may occur in the casting. Further, unlike the commercially available software (e.g., ProCAST, SOLIDCast , MAGMASOFT®) the complex 3D-analysis of the stress / strain fields in cast parts is not performed at this time. However, the availability of free software for assessing the required thermodynamic / thermo-physical properties of new alloys (OpenCALPHAD) and CFD codes such as OpenFOAM® makes the developed option attractive and economical, especially for the analysis of new Al-Ce alloys, for which the available data does not exist.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Solid Phase Gradient Alloying Method via ShAPE

Alloying has been used to confer desirable properties to various metallic systems since the bronze age. For example, Ni, Mn, and Cr are alloyed into an Fe matrix to make steel, which has improved strength and corrosion resistance (as displayed in Fig. 1). In addition to the type of alloying elements, the amount of alloying elements added into a matrix is also very critical for a material’s mechanical property, physical property, machinability, and cost. Conventionally, new alloys are discovered by combining alloy precursors and elemental constituents into a mixture and melting them together. The solidified product or ingot represents a usually non-homogeneous combination of the chemistry with a microstructure dictated by the physics of solidification. It is time and energy intensive to optimize the alloying amounts via the casting process and hence, economically not conducive to rapid alloy discovery. In addition, the cast microstructure seen in the as-cast ingot is often not the ideal, nor even desired structure for optimized performance. Cast materials often need further processing such as homogenization, annealing, and deformation work put in through rolling, forging, extruding, etc. to have favorable microstructures and properties. A faster method to discover new alloy combinations and evaluate them in their worked or processed form is needed. Recently, Laser Engineered Net Shaping was applied to fabricate gradient compositional material for alloy designing. However, the mechanical properties of this gradient alloy were poor due to the existence of impurities, oxidation and cracks that are inherent in the melt-solidification process. Because of these limitations, we propose to use a solid-phase process (ShAPE) to create bulk materials (extrudates) that vary in composition from one end of the extruded solid to the other. Various manufacturing methods for alloy design including conventional casting method, laser based combinatorial method and current solid phase gradient alloying method are displayed and compared in Fig. 2. ShAPE machine and a schematic of ShAPE process are displayed in Fig. 3. Starting material is processed by a rotating and plunging die to form an extrudate. We are proposing through this methodology to invent a new, bulk-scale combinatorial technique. With this novel technique, alloying element can be dissolved into the matrix with a continued gradient without bulk melting. Formation of inter-metallics and defects originating from melt processing can be avoided. In addition, the ShAPE process creates the mixed alloy chemistry, and meanwhile subjects the material to severe plastic strain, which induces the favorable “worked” microstructure. Products from the ShAPE process can be tested in hardness directly providing a path to rapid evaluation of mechanical properties. The ability to create graded structures using friction stir processing (FSP) has been demonstrated, however using the ShAPE process we believe will lead to much faster and higher fidelity results. When combined with high throughput screening methods of physical, mechanical and microstructural property characterization, efficiency and accuracy of alloy design can be significantly improved.

36 MATERIALS SCIENCE↗
NASA NTRS2002

NDE of Friction Stir Welds in Aerospace Applications

Friction Stir Welding (FSW) is a solid state joining process, which utilizes a cylindrical, shouldered pin tool with a radiused tip that is rotated and plunged into the weld joint. Frictional heating beneath the shoulder, and surrounding the pin tip causes the material to plasticize, intermix and consolidate into a weldment without melting the parent material. FSW in aluminum alloys has many advantages such as low distortion and shrinkage, excellent mechanical properties, and no porosity. However, the propensity of the FSW process to create detrimental defects does exist, and is dependent on FSW parameter limits and controls. Inspection processes for FSW must also be selected and implemented concurrent with the new weld process. This paper describes the efforts by Lockheed Martin and NASA to find proper NDE techniques for detecting and characterizing the anomalies that may be caused by operating outside the envelope of optimized FSW parameters. Potential defects are identified and the results of the exploration of numerous NDE techniques including visual, liquid penetrant, multiple ultrasonic methods, eddy current and conductivity are discussed.

Kinchen, David G.↗
DOE OSTI2020

Coupled effects of electronic and nuclear energy deposition on damage accumulation in ion-irradiated SiC

Coupling between electronic and nuclear energy dissipation in ion-irradiated, single crystal 4H-SiC has been investigated using Si, Ti, and Ni ions over a range of energies at 300 K, and irradiation damage accumulation is characterized using Rutherford backscattering spectroscopy in channeling geometry. The damage production rate from nuclear energy loss (S n ) is observed to decrease with increasing electronic energy loss (S e ) of the incident ions. A dynamic threshold (S e,th ) in electronic energy loss is determined for each ion species, which defines two regions: i) S e > S e,th , where electronic energy dissipation fully suppresses damage production due to nuclear energy loss along incident ion paths, and ii) S e < S e,th , where simultaneous damage recovery due to Se competes with damage production processes. Here, the electronic energy loss threshold (S e,th ) increases sublinearly with incident ion atomic number. Here, the assessment of S e,th and how it affects damage accumulation is important to advance the understanding of complex processes occurring under ion-solid interactions, as well as in the design of functional materials for opto-electronics and novel structural materials and devices tolerant to harsh thermal and radiation environments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Cooling dynamics of two titanium alloys during laser powder bed fusion probed with in situ X-ray imaging and diffraction

Metal parts produced by laser powder bed fusion (LPBF) additive manufacturing exhibit characteristic microstructures comparable to those observed in laser welding. The primary cause of this characteristic microstructure is rapid, localized heating and cooling cycles, which result in extreme thermal gradients where material solidification is followed by fast cooling in the solid state. The final microstructure and mechanical performance are also influenced by pore formation caused by melt pool fluid dynamics. Here, we use high speed, in situ X-ray diffraction to probe the kinetics of cooling and solid-solid phase transitions after laser melting in two aerospace titanium alloys: Ti-6Al-4V, an α + β alloy; and Ti-5Al-5V-5Mo-3Cr, a near-β alloy. We complement these diffraction studies with in situ X-ray imaging to probe melt pool dynamics and pore formation. From these two complementary probes, we quantify pore formation during melting and the subsequent microstructural evolution as the material rapidly cools after solidification. These results are critical for understanding defect formation and residual stress development in different titanium alloys under LPBF conditions and can help inform process models to predict final part performance.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Melting and freezing of a skyrmion lattice

We report comprehensive Monte–Carlo studies of the melting of skyrmion lattices (SkL) in systems of small, medium, and large sizes with the number of skyrmions ranging from 10 3 to over 10 5 . Large systems exhibit hysteresis similar to that observed in real experiments on the melting of SkLs. For sufficiently small systems which achieve thermal equilibrium, a fully reversible sharp solid–liquid transition on temperature with no intermediate hexatic phase is observed. A similar behavior is found on changing the magnetic field that provides the control of pressure in the SkL. Here, we find that on heating the melting transition occurs via a formation of grains with different orientations of hexagonal axes. On cooling, the fluctuating grains coalesce into larger clusters until a uniform orientation of hexagonal axes is slowly established. The observed scenario is caused by collective effects involving defects and is more complex than a simple picture of a transition driven by the unbinding and annihilation of dislocation and disclination pairs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Engineering Electrical Transport by Implantation‐Induced Defects in CrN Films Without Affecting Thermal Conductivity

The transport properties of CrN thin films deposited on sapphire have been tailored through structural modifications induced by cumulative argon implantation. As-grown samples experience the typical structural transition in CrN films from orthorhombic at low temperature to cubic above the Néel temperature (≈280 K) and exhibit a metallic-like conduction in both phases. With increasing implantation dose, the conduction mode shifts to a semiconductor-like behavior in both phases, albeit at different damage levels. Analysis of the results suggests that hopping conduction becomes dominant beyond a given damage threshold. The results highlight a promising correlation between defect engineering and conduction mechanisms, offering valuable insights into the versatile electrical properties of CrN films. These implantation-induced defects scatter carriers, leading to a decrease in their mobility. As the implantation dose increases, the defect landscape evolves, modifying the density of states. However, up to a dose of 0.050 dpa, no significant influence on phonon scattering is observed. This approach demonstrates that ion implantation enables precise tuning of CrN's electrical properties without affecting thermal conductivity, offering valuable insights into defect engineering in transition metal nitrides and underscoring its potential for transport properties decorrelation.

defects↗
DOE OSTI2022

All-Ceramic Passive Wireless Temperature Sensor Realized by Tin-Doped Indium Oxide (ITO) Electrodes for Harsh Environment Applications

In this work, an all-ceramic passive wireless inductor–capacitor (LC) resonator was presented for stable temperature sensing up to 1200 °C in air. Instead of using conventional metallic electrodes, the LC resonators are modeled and fabricated with thermally stable and highly electroconductive ceramic oxide. The LC resonator was modeled in ANSYS HFSS to operate in a low-frequency region (50 MHz) within 50 × 50 mm geometry using the actual material properties of the circuit elements. The LC resonator was composed of a parallel plate capacitor coupled with a planar inductor deposited on an Al2O3 substrate using screen-printing, and the ceramic pattern was sintered at 1250 °C for 4 h in an ambient atmosphere. The sensitivity (average change in resonant frequency with respect to temperature) from 200–1200 °C was ~170 kHz/°C. The temperature-dependent electrical conductivity of the tin-doped indium oxide (ITO, 10% SnO2 doping) on the quality factor showed an increase of Qf from 36 to 43 between 200 °C and 1200 °C. The proposed ITO electrodes displayed improved sensitivity and quality factor at elevated temperatures, proving them to be an excellent candidate for temperature sensing in harsh environments. The microstructural analysis of the co-sintered LC resonator was performed using a scanning electron microscope (SEM) which showed that there are no cross-sectional and topographical defects after several thermal treatments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Lithium–Divertor Interactions and Helium/Hydrogen Trapping in Lithiated Metals (Final Technical Report)

The goal of this project was to develop a fundamental understanding of helium and hydrogen behavior in lithium, both in bulk and at interfaces with tungsten, in order to inform the design of lithium based plasma facing components for fusion devices. Over the course of the award, the project produced the first comprehensive, peer reviewed dataset describing helium energetics, migration behaviors, and defect interactions in lithium. The research demonstrated that helium behaves in ways not previously observed in any other body centered cubic (BCC) metal: its interstitial configurations are more stable than substitutional ones, and its migration barriers are extraordinarily low, in some cases more than an order of magnitude below those in tungsten or iron. These discoveries reveal that helium in lithium diffuses so rapidly that its transport may be dominated by translational motion rather than the vibrationally activated mechanisms that underpin conventional solid state diffusion. This work lays a scientific foundation for understanding gas retention, bubble formation, and wall evolution in lithium based fusion environments and provides new computational tools, most notably a newly developed Li–He interatomic potential, for advancing future modeling efforts.

36 MATERIALS SCIENCE↗