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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Effect of hatch spacing and laser power on microstructure, texture, and thermomechanical properties of laser powder bed fusion (L-PBF) additively manufactured NiTi

This study systematically evaluates the effects of laser powder bed fusion additive manufacturing (L-PBF-AM) parameters (hatch spacing and laser power) on the thermomechanical behavior and microstructure of Ni 50.8 Ti 49.2 shape memory alloy. The samples were fabricated with hatch spacings from 40 to 240 µm and laser powers of 50 and 100 W at a constant scanning speed of 125 mm/s, resulting in parts with volumetric energy density levels from 55 to 666 J/mm 3 and two sets of linear energy densities of 0.4 and 0.8 J/mm. The results showed a reduced melt pool size and discontinuity of scan tracks with decreased laser power. Additionally, the porosity level was increased with larger hatch spacing and lower laser power. More notably, the transformation temperatures increased, and the critical stress, recoverable strain, and functional stability of samples improved with lower hatch spacing, where the recovery ratio of up to 90% was observed, regardless of the employed laser power. This study also discussed the relationship between the fabrication process and texture formation in the L-PBF-AM process. In conclusion, the advantage of L-PBF-AM was revealed in tailoring the microstructure from highly textured samples in [1 1 1] or [0 0 1] direction when hatch spacing lower than laser beam focused was employed, to the appearance of equiaxed solidification front with island grains and random orientations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Examples of X-Ray Characterization Techniques in Energy Storage Research

Lithium-ion batteries have revolutionized the portable electronics and transportation sectors. Their performance is often critically dependent on the crystal structures of the anode and cathode electrode materials, which must enable the transport and reversible storage of lithium ions into and out of the lattice. Because lithium is a low-Z element, characterization of materials for lithium-ion batteries can be particularly challenging. Regardless, X-ray techniques enable analysis of material structures to better understand how battery materials perform and degrade, particularly when combined with other materials characterization and electrochemical characterization techniques. While X-ray techniques are most often used in battery research for phase identification of crystal structures, X-ray characterization techniques are also used for a wide variety of other purposes. I will discuss several examples from my research with various collaborators on several projects that highlight the impact that X-ray characterization techniques can have on battery research. The first example will focus on low-temperature microwave-assisted solvothermal synthesis of vanadium-doped LiFePO4 cathode materials for lithium-ion batteries. (1,2) Through a combination of electrochemical and materials characterization, we determined that low temperature synthesis resulted in metastable phases that enabled incorporation of higher dopant levels than resulting from high-temperature synthesis of thermodynamically stable phases. Rietveld refinement of X-ray diffraction data enabled understanding of how lattice parameters changed with doping levels and synthesis temperature. X-ray absorption near edge spectroscopy enabled understanding of the vanadium and iron oxidation states to confirm how vacancies in the structure caused by doping were charge compensated. This was important to understand because the literature suggests doping can improve LiFePO4 electrical conductivity, which improves battery charge and discharge rates. The second example will focus on understanding residual strain in lithium metal anodes. Lithium-ion batteries typically use graphite anodes, but the charge-storage capacity can be theoretically improved ~10x by using lithium metal as the anode material instead. However, lithium anodes suffer from growth of high-aspect-ratio features, such as dendrites, that can pierce nanoporous polymer separators and lead to short circuits and fires. External pressure is commonly applied to cells to enable better morphological control. We hypothesized that applied pressure may promote strain and possibly work hardening during electrochemical cycling, which motivated us to look for evidence of residual strain in lithium metal cycled under applied pressure using X-ray diffraction and sin2(..psi..) analysis. We found that lithium electrodeposited under high pressure exhibited in-plane compressive strain and that that lithium electrodeposited under low pressure did not. (3) The residual strain that accompanies electrodeposition under high pressure may lead to work hardening, which may explain how a soft metal like lithium can puncture separators and why higher pressure does not always decrease short circuits. (4-6) References: 1) Harrison, K. L.; Manthiram, A. Microwave-Assisted Solvothermal Synthesis and Characterization of Metastable LiFe1- x (VO) x PO4 Cathodes. Inorganic chemistry 2011, 50(8), 3613-3620. 2) Harrison, K. L.; Bridges, C. A.; Paranthaman, M. P.; Segre, C. U.; Katsoudas, J.; Maroni, V. A.; Idrobo, J. C.; Goodenough, J. B.; Manthiram, A. Temperature Dependence of Aliovalent-Vanadium Doping in LiFePO4 Cathodes. Chemistry of Materials 2013, 25(5), 768-781. 3) Rodriguez, M. A.; Harrison, K. L.; Goriparti, S.; Griego, J. J.; Boyce, B. L.; Perdue, B. R. Use of a Be-Dome Holder for Texture and Strain Characterization of Li Metal Thin Films via Sin2 (..psi..) Methodology. Powder Diffraction 2020, 35(2), 89-97. 4) Jungjohann, K. L.; Gannon, R. N.; Goriparti, S.; Randolph, S. J.; Merrill, L. C.; Johnson, D. C.; Zavadil, K. R.; Harris, S. J.; Harrison, K. L. Cryogenic Laser Ablation Reveals Short-Circuit Mechanism in Lithium Metal Batteries. ACS Energy Letters 2021, 6(6), 2138-2144. 5) Harrison, K. L.; Merrill, L. C.; Long, D. M.; Randolph, S. J.; Goriparti, S.; Christian, J.; Warren, B.; Roberts, S. A.; Harris, S. J.; Perry, D. L. Cryogenic Electron Microscopy Reveals That Applied Pressure Promotes Short Circuits in Li Batteries. Iscience 2021, 24(12). 6) Harrison, K. L.; Goriparti, S.; Merrill, L. C.; Long, D. M.; Warren, B.; Roberts, S. A.; Perdue, B. R.; Casias, Z.; Cuillier, P.; Boyce, B. L. Effects of Applied Interfacial Pressure on Li-Metal Cycling Performance and Morphology in 4 M LiFSI in DME. ACS Applied Materials & Interfaces 2021, 13(27), 31668-31679.

batteries↗
DOE OSTI2020

Quantitative study of the effect of grain boundary parameters on the slip system level Hall-Petch slope for basal slip system in Mg-4Al

Several theoretical studies have reported that the geometry and structure of grain boundaries in polycrystalline materials could impose a significant effect on the Hall-Petch slope. However, experimental observations are primarily limited by the ability of the techniques to accurately quantify the grain boundary strength and validate these theoretical models. Using high-resolution electron backscatter diffraction (HR-EBSD), the local stress tensor ahead of a slip band blocked by a grain boundary was quantified and coupled with a continuum dislocation pile-up model to assess the barrier strength of specific grain boundaries to specific slip systems, referred to as micro-Hall-Petch coefficient. For basal slip system in a deformed Mg-4Al alloy, the micro-Hall-Petch coefficient ($k^{basal}_{μ}$) varied significantly, from 0.054 to 0.184 MPa - m 1/2 for nine different grain boundaries. These results were correlated with geometric descriptors of the respective grain boundaries, with three-dimensional GB profile additionally measured via focused ion beam milling. It was found that the angle between the two slip plane traces on the grain boundary plane was the most sensitive parameter affecting $k^{basal}_{μ}$, followed by the angle between the slip directions. A functional form for calculation of $k^{basal}_{μ}$ depending on these two angles is proposed to augment crystal plasticity constitutive models with slip resistance dependent on some measure of the grain size. The method allows a new pathway to calibrate grain size strengthening parameters in crystal plasticity models, allowing further computational investigations of the interrelationship between texture, grain morphology, and the Hall Petch effect.

36 MATERIALS SCIENCE↗
DOE OSTI2020

AA2024/SiC metal matrix composites simultaneously improve ductility and cracking resistance during elevated temperature deformation

Here this study uses the stir-casting technique to combine a semi-solid AA2024 alloy directly with finely-sized β-SiC p embedded as a powder or with mechanically alloyed granules as a delivery agent. Liquid-state primary fabrication tends to form agglomerates of reinforcement particles, whereas rolling better distributes the composite constituents. Sub-micron reinforcements of low volume fractions do not significantly increase the hardness of the composite materials. Uniaxial tensile testing at elevated temperatures over a wide range of strain rates showed simultaneous increases in the ductility and crack resistance of AA2024 + SiC p granules embedded as a powder when compared to the non-reinforced control material at lower strain rates, with the same toughness as the control material. The maximum engineering strain of 252.7 ± 19.2% was observed in AA2024/SiCp at a strain rate of 10 -4 s -1 . This improvement in properties is attributed to grain refinement in the MMCs, leading to pinning events during the straining and ductility increases. The resultant impediments to grain growth and crack propagation allow the fine-sized reinforcements to control dynamic microstructural changes during fatigue. Cube {001}<100> is a dominant texture component in AA2024, whereas the Goss {011}<100> and S {123}<634> components mainly represent the texture of the discontinuously reinforced aluminum matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Absorption dissymmetry factor enhancement: A data-driven approach to unravel the synthesis knobs of chiral 2D perovskites

Chiral 2D metal halide perovskites (MHPs) are promising for spin-optoelectronic applications, yet their absorption dissymmetry factor (g abs ) exhibits significant variability due to complex, co-dependent structural and experimental factors. Here, we established a data-driven framework using Pearson’s correlation, ANOVA, and Gaussian process regression to identify and model key synthesis “knobs” governing these properties. The analysis revealed that solvent choice is the primary factor driving variability. For acetonitrile-based films, g abs was maximized by optimizing annealing temperature and film thickness. Conversely, films from higher boiling point solvents showed complex dependencies on annealing temperature, excitonic integral intensity, and film texture. These statistical correlations provide a roadmap for the rational design of high-performance chiral MHPs and establish a foundation for future machine learning-driven material exploration.

ANOVA↗
DOE OSTI2024

Tunable multistate field-free switching and ratchet effect by spin-orbit torque in canted ferrimagnetic alloy

Spin-orbit torque is not only a useful probe to study manipulation of magnetic textures and magnetic states at the nanoscale but also it carries great potential for next-generation computing applications. Here we report the observation of rich spin-orbit torque switching phenomena such as field-free switching, multistate switching, memristor behavior and ratchet effect in a single shot, co-sputtered, rare earth-transition metal Gd x Co 100-x . Notably such effects have only been observed in antiferromagnet/ferromagnet bi-layer systems previously. We show that these effects can be traced to a large anistropic canting, that can be engineered into the Gd x Co 100-x system. Further, we show that the magnitude of these switching phenomena can be tuned by the canting angle and the in-plane external field. The complex spin-orbit torque switching observed in canted Gd x Co 100-x not only provides a platform for spintronics but also serves as a model system to study the underlying physics of complex magnetic textures and interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Image Analysis for Rapid Assessment and Quality-Based Sorting of Corn Stover

Imaging in the visible spectrum is a low-cost tool that can be readily deployed for in-field or over-belt monitoring of biomass quality for bio-refining operations. Rapid image analysis coupled with innovative preprocessing may reduce the impacts of feedstock variability through identification of contaminants or other material attributes to guide selective sorting and quality management. Image analysis was employed to evaluate the quality of corn stover in red-green-blue (RGB) chromatic space. This study used controlled, bench-scale imaging as a proof-of-concept for rapid quality assessment of corn stover based on variations in material attributes, including chemical and physical attributes, that relate to biological degradation and soil contamination. Additionally, logistic regression-based classification algorithms were used to develop a method for biomass screening as a function of biological degradation or soil contamination. This study demonstrated the use of image analysis to extract features from RGB color space to investigate variations in critical material attributes from chemical composition of corn stover. Fourier transform infrared (FT-IR) suggested a correlation between red band intensity and biological degradation, while detailed surface texture analysis was found to distinguish among variations in ash. These insights offer promise for development of a rapid screening tool that could be deployed by farmers for in-field assessment of biomass quality or biorefinery operators for in-line sorting and process optimization.

09 BIOMASS FUELS↗
DOE OSTI2025

Mechanically and electrically tunable Rashba-Edelstein effect in ferroelectric semiconductors, CsGe⁢𝑋 3 (𝑋 = I, Br, Cl)

The ability of materials to convert charge current into spin current is fundamental to many spintronics applications. One means of realizing this conversion is via Rashba-Edelstein effect (REE). Using density functional theory simulations, we predict that REE can be induced in the recently discovered family of semiconducting ferroelectrics, CsGe⁢𝑋 3 (𝑋 = I, Br, Cl). The effect is quantified through Rashba-Edelstein coefficients, 𝜒 𝑥⁢𝑦 =−𝜒 𝑦⁢𝑥 , which are nonzero in valence and conduction bands. The largest values, obtained for CsGeI 3 , are 3.45 × 10 10 $\frac{ℏ}{Λ cm}$ and 0.97 × 10 10 $\frac{ℏ}{Λ cm}$ in the conduction and valence bands, respectively. The values are comparable to, and sometimes exceed, those of other inorganic materials, although the maximal values occur away from the band edges. The coefficients' sign couples to the direction of spontaneous polarization, offering opportunities for nonvolatile spin current manipulation via external electric field. Furthermore, these coefficients are highly tunable through strain engineering owing to strain-induced variations in spin textures and energy isosurfaces. Specifically, 𝜒 in the valence band of CsGeI 3 is enhanced to 3.61 × 10 10 $\frac{ℏ}{Λ cm}$ under 5% biaxial strain. Given this potential, we synthesized CsGeI 3 to validate our simulation structure and found excellent agreement between experiment and simulation, thereby allowing extrapolation of our findings to practically significant temperatures. Furthermore, our study identifies promising materials for nonvolatile, multifunctional spintronic applications.

Electronic structure↗
DOE OSTI2020

High-pressure strengthening in ultrafine-grained metals

The Hall–Petch relationship, according to which the strength of a metal increases as the grain size decreases, has been reported to break down at a critical grain size of around 10 to 15 nanometres. As the grain size decreases beyond this point, the dominant mechanism of deformation switches from a dislocation-mediated process to grain boundary sliding, leading to material softening. In one previous approach, stabilization of grain boundaries through relaxation and molybdenum segregation was used to prevent this softening effect in nickel–molybdenum alloys with grain sizes below 10 nanometres. Here we track in situ the yield stress and deformation texturing of pure nickel samples of various average grain sizes using a diamond anvil cell coupled with radial X-ray diffraction. Our high-pressure experiments reveal continuous strengthening in samples with grain sizes from 200 nanometres down to 3 nanometres, with the strengthening enhanced (rather than reduced) at grain sizes smaller than 20 nanometres. Here, we achieve a yield strength of approximately 4.2 gigapascals in our 3-nanometre-grain-size samples, ten times stronger than that of a commercial nickel material. A maximum flow stress of 10.2 gigapascals is obtained in nickel of grain size 3 nanometres for the pressure range studied here. We see similar patterns of compression strengthening in gold and palladium samples down to the smallest grain sizes. Simulations and transmission electron microscopy reveal that the high strength observed in nickel of grain size 3 nanometres is caused by the superposition of strengthening mechanisms: both partial and full dislocation hardening plus suppression of grain boundary plasticity. These insights contribute the ongoing search for ultrastrong metals via materials engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of Volumetric Energy Density on Microstructure and Properties of Grade 300 Maraging Steel Fabricated by Laser Powder Bed Fusion

Here this study investigated the effect of laser powder bed fusion process parameters on the microstructure and properties of maraging steel. The results show that the process parameters can be finetuned to achieve both a high build rate/low hardness and low build rate/high hardness during fabrication, enabling the co-design of components where property gradients are desirable such as an injection molding tool where surface hardness is desired to be higher than the bulk, which needs to have higher fracture toughness.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A stochastic scan strategy for grain structure control in complex geometries using electron beam powder bed fusion

Spatial control of microstructure within a three-dimensional component has been a dream of materials scientists for centuries. However, limitations in traditional manufacturing processes prevent detailed control over the distribution of microstructures in a single part. Here, we demonstrate the ability to control grain structure and crystallographic texture during metal additive manufacturing for arbitrary cross-sections of a practical size, with profound implications for the design and optimization of next-generation products. The key to this advance is a new geometry agnostic scan path algorithm that manipulates the spatial distribution of solidification conditions. Utilizing a fundamental understanding of solidification dynamics and a model of the heat transfer during processing, we have designed this algorithm to manipulate the natural competition between epitaxial dendrite growth and grain nucleation. With this algorithm, we successfully controlled the grain structure of Ni-based superalloy IN718 in the shape of the Mona Lisa.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Performance of discontinuity-free components produced by additive turning computer aided manufacturing strategy

Computer aided manufacturing (CAM) techniques for directed energy deposition (DED) affect the material properties of the manufactured component based on the scan strategy used. In this study, we investigate the material characteristics of turning-style toolpath strategies to generate axisymmetric components with additive manufacturing (AM), referred to in this research as additive turning. This novel approach leverages existing CAM technology for turning, where the component rotates around a stationary cutting tool, to generate toolpath trajectories for DED with varying wall-thicknesses and controlled deposition angles. This strategy allows for entire components to be deposited in one continuous deposition, resulting in reduced cycle-time and improved material usage efficiency compared to conventional AM strategies where the beam is switched off at the end of every layer. Results from this study show that the use of additive turning can produce over 99 % dense components with less variation and anisotropy in texture and hardness, as well as a lower variation in elongation to failure when compared to conventional strategies. This research highlights that various CAM strategies could be deployed for AM to improve process efficiency or enable localized control over part performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Improving energy yield in photovoltaic modules with photonic structures

When installed outdoors, Si solar cells typically operate 20 – 30 K above ambient conditions. These elevated operating temperatures lead to diminished performance, reducing efficiency by ~0.4%/K for crystalline Si cells and decreasing module lifetime. Since much of the elevated temperature of the modules derives from parasitic absorption of sub-bandgap sunlight by the contacts, encapsulants, or other materials, reflectors that remove the sub-bandgap radiation from the module before it is absorbed promise to reduce the operating temperature. However, there are many competing strategies to reject this light: selective reflectors could be integrated into the outer module glass, at the textured Si-encapsulant interface, or on the rear. Furthermore, many of these approaches are complex and expensive to fabricate. The issue of heating can be even more critical in bifacial modules: high fractions of rear irradiance can lead to higher operating temperatures. Prior to this project, relatively little was known about the optical strategies for temperature reduction in bifacial modules. The goal of this project was to quantitatively assess optical strategies for improving the energy yield via a combination of improved anti-reflection and sub-bandgap light rejection. We studied two complementary concepts: the performance of ideal structures to determine the upper limits to performance, and low-complexity structures made from standard materials as cost-effective implementations. We also studied the performance of these reflectors in different types of modules, including Al BSF, PERC, and bifacial. Here we build from our prior accomplishments in developing mirror optimization techniques, and make use of simulation methods that accurately capture the optical properties of the modules throughout the visible and near-infrared spectrum. We connect these optical properties to energy yield under realistic, outdoor conditions. We also experimentally fabricated mirrors, incorporated them into mini-modules, and performed outdoor testing of performance at NREL. We found definitively that spectrally-selective mirrors on the outside of the module cover glass offer the best performance, both under ideal conditions and for realistic, low- complexity mirrors. Mirrors at the Si cell/encapsulant interface are limited by the multiple reflections needed to remove sub-bandgap light. Mirrors at the cell surface and mirrors on the rear also cannot remove all the sub-bandgap light, since parasitic absorption also occurs in the cover glass, encapsulant, and front contacts, depending on the module configuration. Also, cell texturing places higher demands on any cell-surface mirror because multiple interactions with the mirror are required to reject sub bandgap light which compounds losses. For bifacial modules, mirrors on the back do provide additional cooling and energy yield improvements, and the mirrors can have the same structure. In the monofacial case up to 3.3K of cooling is possible for mirrors on the front, compared to 2.2K at the cell surface and 1.2K at the rear. For bifacial modules, up to 2.4K of cooling is possible when mirrors are included at both the front and back. Our realistic designs utilize 4 – 6 layers of common photovoltaic materials such as SiO 2 , TiO 2 , and SiN x , making them more cost effective. Finally, we used our models to study thermal management in bifacial modules with different back lamination materials, finding that glass-glass laminated modules operated hotter than equivalent glass-polymer backsheet modules, due solely to the increased absorption of light incident from the rear of the module. Improving the energy yield by 2%, which is achievable with these realistic designs, would lead to LCOE reductions of $0.03/kWh by 2030. These benefits make photovoltaic panels more accessible to the public and may reduce associated maintenance costs.

14 SOLAR ENERGY↗
DOE OSTI2021

Fast and reversible thermoresponsive polymer switching materials

A polymer composite includes a polymeric matrix and conductive fillers dispersed in the polymeric matrix. The polymeric matrix includes a polymer having a thermal expansion coefficient of at least about 100 μm/(m K), and the conductive fillers have surface texturing.

Bao, Zhenan↗
DOE OSTI2022

Formation of Nano- and Micro-Scale Surface Features Induced by Long-Range Femtosecond Filament Laser Ablation

In this work, we study the characteristics of femtosecond-filament-laser–matter interactions and laser-induced periodic surface structures (LIPSS) at a beam-propagation distance up to 55 m. The quantification of the periodicity of filament-induced self-organized surface structures was accomplished by SEM and AFM measurements combined with the use of discrete two-dimensional fast Fourier transform (2D-FFT) analysis, at different filament propagation distances. The results show that the size of the nano-scale surface features increased with ongoing laser filament processing and, further, periodic ripples started to form in the ablation-spot center after irradiation with five spatially overlapping pulses. The effective number of irradiating filament pulses per spot area affected the developing surface texture, with the period of the low spatial frequency LIPSS reducing notably at a high pulse number. The high regularity of the filament-induced ripples was verified by the demonstration of the angle-of-incidence-dependent diffraction of sunlight. This work underlines the potential of long-range femtosecond filamentation for energy delivery at remote distances, with suppressed diffraction and long depth focus, which can be used in biomimetic laser surface engineering and remote-sensing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mapping nanocrystal orientations via scanning Laue diffraction microscopy for multi-peak Bragg coherent diffraction imaging

The recent commissioning of a movable monochromator at the 34-ID-C endstation of the Advanced Photon Source has vastly simplified the collection of Bragg coherent diffraction imaging (BCDI) data from multiple Bragg peaks of sub-micrometre scale samples. Laue patterns arising from the scattering of a polychromatic beam by arbitrarily oriented nanocrystals permit their crystal orientations to be computed, which are then used for locating and collecting several non-co-linear Bragg reflections. The volumetric six-component strain tensor is then constructed by combining the projected displacement fields that are imaged using each of the measured reflections via iterative phase retrieval algorithms. Complications arise when the sample is heterogeneous in composition and/or when multiple grains of a given lattice structure are simultaneously illuminated by the polychromatic beam. Here, a workflow is established for orienting and mapping nanocrystals on a substrate of a different material using scanning Laue diffraction microscopy. The capabilities of the developed algorithms and procedures with both synthetic and experimental data are demonstrated. The robustness is verified by comparing experimental texture maps obtained with Laue diffraction microscopy at the beamline with maps obtained from electron back-scattering diffraction measurements on the same patch of gold nanocrystals. Such tools provide reliable indexing for both isolated and densely distributed nanocrystals, which are challenging to image in three dimensions with other techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Alloying effects on deformation induced microstructure evolution in copper

In this work, we investigated the effects of alloying elements on plastic deformation and microstructure evolution in polycrystalline copper (Cu) and Cu alloyed with 1 wt. % lead (Cu-1 %Pb). These materials were selected due to the size mismatch between Cu and Pb, with the latter forming precipitates at grain boundaries. Multi-modal characterization techniques, including neutron diffraction, electron backscatter diffraction (EBSD), and transmission electron microscopy (TEM), along with finite element simulations were employed to study the deformation behavior across multiple length scales. While both Cu and Cu-1%Pb exhibited similar macroscale response and final deformation textures, both dislocation line profile analysis and TEM revealed increased dislocation density in deformed Cu-1%Pb specimens. The presence of lead precipitates also significantly affected local plastic deformation during compression, with their influence diminishing with increasing strain. These results demonstrate the complex relationships between alloying elements, plastic deformation, microstructural evolution, and material behavior under load. The insights gained from this multi-scale and multi-technique approach contribute to the fundamental understanding of microstructural evolution in immiscible alloys and are valuable for tailoring the properties of structural materials for specific engineering applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Less Common Topological Phenomena in Bulk Materials

"Prediction and subsequent discovery of topological insulators is considered to be one of the main results in condensed matter physics in the last decades. Not surprisingly, it has received major attention of both researchers and funding agencies. This attention is well-deserved; yet, one cannot but note that nearly all this research revolves about essentially the same concept: electronic excitations with linear dispersion, covering, of course, such diverse and intriguing phenomena as topological insulator, bulk Dirac states (or Weyl, if not spin degenerate), Mayorana fermions. In this project, we will address, mainly, other topological phenomena, such as topologically nontrivial magnetic patterns (as, for instance, topological Hall and related phenomena). Specifically, we propose three interrelated trusts: (1) Time-reversal symmetry breaking nonrelativistic antiferromagnets, called altermagnets. These are materials that break Kramers degeneracy of electronic bands, despite having zero net magnetization by symmetry and being fully collinear, and not necessarily non-centrosymmetric. The corresponding band structure is very similar to the band structure in non-centrosymmetric spin-orbital materials, but materials that we propose to study are distinctly different, first and foremost in the sense that despite sharing many aspects of their electronic properties with the latter, they break the time-reversal symmetry without either spin-orbit coupling or lack of inversion symmetry. (2) Topologically nontrivial magnetic spirals. The PI has been engaged with the experimental group of Dr. Ghimire at GMU investigating Dirac materials with helical magnetism, based on stacked magnetic Kagome layers, with a generic formula of RMn6Sn6. In particular, Y Mn6Sn6 demonstrates a component of the Hall effect that is naturally interpreted in terms of a topological spin texture, as well as linear magnetoresistance. Our calculation identify Dirac states that are robust with respect to the spiral formation, and let us derive an advance mean-field model explaining the observed phase diagram. This model predicted four distinct phases, with very distinct properties, which have now been seen in neutron experiments. The same compound is known to demonstrate topological Hall effect in a particular magnetic phase, and only at elevated temperature. Based on our understanding of the phase diagram, we have worked out a phenomenological theory of a chiral (skyrmionic) response to an external magnetic field, similar to the nematic response to external strain in Fe-based superconductors, which is possible in a centrosymmetric lattice and without interplanar Dzyaloshinskii-Moriya interaction. This phenomenological theory agrees quantitatively with the experiment. It is in our plans to research other similar materials for this effect. (3) Search for 3D analogues of Fe-based superconductors. We want to investigate materials that can be viewed as 3D analogues of FeSe. Specifically, we want materials that are good metals and host antiferromagnetism, which can be suppressed by pressure and generate an s-wave superconductivity, as in Fe-based superconductors. We have in mind some candidates already. This work will proceed in close collaboration with the experimental group of Prof. Nirmal Ghimire in the same department, whose expertise lies in sample making, magnetometry and transport measurements of materials with complex magnetic structures."

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗