Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “strain energy density”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Element-specific ultrafast lattice dynamics in FePt nanoparticles

Light–matter interaction at the nanoscale in magnetic alloys and heterostructures is a topic of intense research in view of potential applications in high-density magnetic recording. While the element-specific dynamics of electron spins is directly accessible to resonant x-ray pulses with femtosecond time structure, the possible element-specific atomic motion remains largely unexplored. We use ultrafast electron diffraction (UED) to probe the temporal evolution of lattice Bragg peaks of FePt nanoparticles embedded in a carbon matrix following excitation by an optical femtosecond laser pulse. The diffraction interference between Fe and Pt sublattices enables us to demonstrate that the Fe mean square vibration amplitudes are significantly larger that those of Pt as expected from their different atomic mass. Both are found to increase as energy is transferred from the laser-excited electrons to the lattice. Contrary to this intuitive behavior, we observe a laser-induced lattice expansion that is larger for Pt than for Fe atoms during the first picosecond after laser excitation. This effect points to the strain-wave driven lattice expansion with the longitudinal acoustic Pt motion dominating that of Fe.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Uncertainty quantification for equations of state: copper as an example

Equations of state are essential for providing a fundamental description of materials properties in thermodynamic equilibrium and are used to provide closure relations for hydrodynamics simulations. Generally, equations of state rely on simple physics-based parameterized materials models to inform on the free energy of a material through out a given thermodynamic state space. Historically the parameters of these models have been tuned by hand to fit various experimental data. However, modern optimization and uncertainty quantification techniques allow us to quickly test thousands of parameter combinations and obtain meaningful uncertainty estimates on the parameters, opening opportunities for assessing systematic uncertainties in experiments, assessing model adequacy, and more. In this report, we use Bayesian inference to fit the solid (fcc) equation of state of copper. We focus on fitting five different experimental datasets, including the isobaric density, isobaric heat capacity, room temperature isotherm, principal isentrope, and principal Hugoniot. We fit all five data types simultaneously, and then explore the extent to which combinations of 2 subsets of the 5 datasets can constrain the EOS parameters, as compared to the fit to all 5. This information is useful for investigating the extent to which different datasets can con strain EOS models and thereby help guide experimental investigations in order to best constrain the EOS. We also discuss ways that the methodologies can be used to investigate systematic discrepancies between experiments, as well as how the methods can be used to assess model uncertainty. The framework we develop is general, in that it can be used with a variety of optimization or uncertainty quantification techniques and with a variety of data sources, including both experimental and ab-inito data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Layer number dependent ferroelasticity in 2D Ruddlesden–Popper organic-inorganic hybrid perovskites

Ferroelasticity represents material domains possessing spontaneous strain that can be switched by external stress. Three-dimensional perovskites like methylammonium lead iodide are determined to be ferroelastic. Layered perovskites have been applied in optoelectronic devices with outstanding performance. However, the understanding of lattice strain and ferroelasticity in layered perovskites is still lacking. Here, using the in-situ observation of switching domains in layered perovskite single crystals under external strain, we discover the evidence of ferroelasticity in layered perovskites with layer number more than one, while the perovskites with single octahedra layer do not show ferroelasticity. Density functional theory calculation shows that ferroelasticity in layered perovskites originates from the distortion of inorganic octahedra resulting from the rotation of aspherical methylammonium cations. The absence of methylammonium cations in single layer perovskite accounts for the lack of ferroelasticity. These ferroelastic domains do not induce non-radiative recombination or reduce the photoluminescence quantum yield.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Field validation of dynamic mechanical torque measurements using fiber-optic strain sensors for geared wind turbines

Abstract Accurate knowledge of the mechanical loads of wind turbine gearboxes has become essential in modern, highly loaded gearbox designs, as maintaining or even improving gearbox reliability with increasing torque density demands is proving to be challenging. Unfortunately, the traditional method of measuring dynamic mechanical torque using strain gauges placed on the outer surface of a rotating shaft and transmitting the resulting signal is unsuitable for serial deployment due to technical and economic constraints. An alternative method based on fiber-optic strain sensors placed on the stationary outer surface of the gearbox ring gear has been proposed. Like shaft torsion, the radial deformation of the ring gear is proportionate to the rotor torque. Placing the sensors on a stationary component is a cost-effective alternative for serial implementation because the need for complex and expensive data transfer via wireless transmission or a slip ring is eliminated. In this paper, we present the results of an extensive field experiment conducted to evaluate the torque measurement accuracy of this novel sensing solution installed on the gearbox of a Gamesa G97 2-MW wind turbine at the National Renewable Energy Laboratory’s Flatirons Campus. Torque measurements derived from fiber-optic strain sensors placed on the ring gear of the planetary stage are compared to conventional torque measurements from strain gauges placed on the main shaft. Two different torque estimation data processing methods were evaluated, with the method based on operational deflection shapes providing the most accurate results with an average normalized root mean square error below 0.7% for a load revolution distribution analysis. The effect of operating conditions on the torque estimate was also investigated, and the third planet-passing operational deflection shape was found to be the least sensitive to nontorque load-related effects. The fiber-optic strain sensors’ successful operation during the complete test campaign has demonstrated a robust and accurate solution for fleet-wide enhanced gearbox remaining useful life estimation.

17 WIND ENERGY↗
DOE OSTI2025

Field Validation of Dynamic Mechanical Torque Measurements for Geared Wind Turbines

Accurate knowledge of the mechanical loads of wind turbine gearboxes has become essential in modern, highly loaded gearbox designs, as maintaining or even improving gearbox reliability with increasing torque density demands is proving to be challenging. Unfortunately, the traditional method of measuring dynamic mechanical torque using strain gauges placed on the outer surface of a rotating shaft and transmitting the resulting signal is unsuitable for serial deployment due to technical and economic constraints. An alternative method based on fiber-optic strain sensors placed on the stationary outer surface of the gearbox ring gear has been proposed. Like shaft torsion, the radial deformation of the ring gear is proportionate to the rotor torque. Placing the sensors on a stationary component is a cost-effective alternative for serial implementation because the need for complex and expensive data transfer via wireless transmission or a slip ring is eliminated. In this paper, we present the results of an extensive field experiment conducted to evaluate the torque measurement accuracy of this novel sensing solution installed on the gearbox of a Gamesa G97 2-MW wind turbine at the National Renewable Energy Laboratory's Flatirons Campus. Torque measurements derived from fiber-optic strain sensors placed on the ring gear of the planetary stage are compared to conventional torque measurements from strain gauges placed on the main shaft. Two different torque estimation data processing methods were evaluated, with the method based on operational deflection shapes providing the most accurate results with an average normalized root mean square error below 0.7% for a load revolution distribution analysis. The effect of operating conditions on the torque estimate was also investigated, and the third planet-passing operational deflection shape was found to be the least sensitive to nontorque load-related effects. The fiber-optic strain sensors' successful operation during the complete test campaign has demonstrated a robust and accurate solution for fleet-wide enhanced gearbox remaining useful life estimation.

17 WIND ENERGY↗
DOE OSTI2022

Activating dislocation mediated plasticity in boron carbide through Al-doping

Dislocation slip, deformation twinning, phase transformations, and fast fracture are energy dissipation mechanisms that accommodate mechanical loading in materials. The energetically unfavorable formation of dislocation attributes to the ease of cracking and the low damage tolerance observed in superhard ceramics, notably boron carbide. Here, this work demonstrates that room temperature dislocation slip can be enabled in boron carbide by altering its chemistry through Al doping. The activation of dislocation slip is mechanistically explained by quantum mechanics simulations and electron microscopy, which indicate that strain energy is released through basal icosahedral slip facilitated by icosahedral rotation and chain bond breaking and reconfiguring. The new insight gained through this work suggests that atomic doping could be an effective strategy to tune deformation mechanisms in boron carbide, which provides a significant potential for limiting amorphization and catastrophic failure, and opens a new strategy to enhance damage tolerance in brittle ceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Analysis of scale-dependent kinetic and potential energy in sheared, stably stratified turbulence

Budgets of turbulent kinetic energy (TKE) and turbulent potential energy (TPE) at different scales $\ell$ in sheared, stably stratified turbulence are analysed using a filtering approach. Competing effects in the flow are considered, along with the physical mechanisms governing the energy fluxes between scales, and the budgets are used to analyse data from direct numerical simulation at buoyancy Reynolds number $Re_b=O(100)$ . The mean TKE exceeds the TPE by an order of magnitude at the large scales, with the difference reducing as $\ell$ is decreased. At larger scales, buoyancy is never observed to be positive, with buoyancy always converting TKE to TPE. As $\ell$ is decreased, the probability of locally convecting regions increases, though it remains small at scales down to the Ozmidov scale. The TKE and TPE fluxes between scales are both downscale on average, and their instantaneous values are correlated positively, but not strongly so, and this occurs due to the different physical mechanisms that govern these fluxes. Moreover, the contributions to these fluxes arising from the sub-grid fields are shown to be significant, in addition to the filtered scale contributions associated with the processes of strain self-amplification, vortex stretching and density gradient amplification. Probability density functions (PDFs) of the $Q,R$ invariants of the filtered velocity gradient are considered and show that as $\ell$ increases, the sheared-drop shape of the PDF becomes less pronounced and the PDF becomes more symmetric about $R=0$ .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods

Here, we have used highly accurate quantum Monte Carlo methods to determine the chemical structure and electronic band gaps of monolayer GeSe. Two-dimensional (2D) monolayer GeSe has received a great deal of attention due to its unique thermoelectric, electronic, and optoelectronic properties with a wide range of potential applications. Density functional theory (DFT) methods have usually been applied to obtain optical and structural properties of bulk and 2D GeSe. For the monolayer, DFT typically yields a larger band-gap energy than for bulk GeSe but cannot conclusively determine if the monolayer has a direct or indirect gap. Moreover, the DFT-optimized lattice parameters and atomic coordinates for monolayer GeSe depend strongly on the choice of approximation for the exchange-correlation functional, which makes the ideal structure-and its electronic properties-unclear. In order to obtain accurate lattice parameters and atomic coordinates for the monolayer, we use a surrogate Hessian-based parallel line search within diffusion Monte Carlo to fully optimize the GeSe monolayer structure. The DMC-optimized structure is different from those obtained using DFT, as are calculated band gaps. The potential energy surface has a shallow minimum at the optimal structure. This, combined with the sensitivity of the electronic structure to strain, suggests that the optical properties of monolayer GeSe are highly tunable by strain.

36 MATERIALS SCIENCE↗
NASA NTRS2018

The NANOGrav 11 Year Data Set: Pulsar-Timing Constraints on the Stochastic Gravitational-Wave Background

We search for an isotropic stochastic gravitational-wave background (GWB) in the newly released 11 year data set from the North American Nanohertz Observatory for Gravitational Waves (NANOGrav). While we find no evidence for a GWB, we place constraints on a population of inspiraling supermassive black hole (SMBH) binaries, a network of decaying cosmic strings, and a primordial GWB. For the first time, we find that the GWB constraints are sensitive to the solar system ephemeris (SSE) model used and that SSE errors can mimic a GWB signal. We developed an approach that bridges systematic SSE differences, producing the first pulsar-timing array (PTA) constraints that are robust against SSE errors. We thus place a 95% upper limit on the GW-strain amplitude of A (sub GWB) < 1.45 × 10 (exp -15) at a frequency of f=1 yr(exp -1) for a fiducial f (exp -2/3) power-law spectrum and with interpulsar correlations modeled. This is a factor of approximately 2 improvement over the NANOGrav nine-year limit calculated using the same procedure. Previous PTA upper limits on the GWB (as well as their astrophysical and cosmological interpretations) will need revision in light of SSE systematic errors. We use our constraints to characterize the combined influence on the GWB of the stellar mass density in galactic cores, the eccentricity of SMBH binaries, and SMBH-galactic-bulge scaling relationships. We constrain the cosmic-string tension using recent simulations, yielding an SSE-marginalized 95% upper limit of G (sub mu) < 5.3 × 10(exp -11) - a factor of approximately 2 better than the published NANOGrav nine-year constraints. Our SSE-marginalized 95% upper limit on the energy density of a primordial GWB (for a radiation-dominated post-inflation universe) is omega (sub GWB)(f) h (exp 2) < 3.4 × 10 (exp -10).

Supermassive Black Holes↗
DOE OSTI2022

On-Demand Designing of Cathode Internal Surface Architecture for Dramatic Enhancement of SOFC Performance and Durability

This project is aimed to design and modify the internal surfaces of porous composite cathode from currently commercially viable Solid Oxide Fuel Cells (SOFCs), using additive manufacturing process of Atomic Layer Deposition (ALD). The material systems being investigated are commercial composite electrodes complex three-dimensional topographies. In term of the chemistry of the ALD layer applied on the internal surface of the porous cathode, this project has employed commercially relevant electrolyte, electrocatalyst and noble metal materials set. Such materials are fully compatible with the commercial fuel cells, and this project has developed special nanostructure on the surface of the commercial composite cathodes. The formation of the designed nanoarchitecture on the surface of SOFC cathode has been achieved through precise control of ALD parameters and their effect on overall cell performance and resultant electrochemical reaction mechanism of cathodes has been investigated through full cell electrochemical performance testing and nanostructure characterization by transmission electron microscopy (TEM). Under the support of this award, following has been achieved: (1). For cathode materials in solid oxide fuel cells (SOFCs), such as perovskite mixed conductor La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-x (LSCF), cation surface segregation and consequently losing conductivity and active sites for the oxygen reduction reaction (ORR) are problematic. To mitigate the cation segregation and enhance SOFC durability, further decorating the internal backbone surface using the desired electrocatalysts could be a promoting approach. Commonly, the cation segregation such as Sr is very volatile, so the effective surface decoration is ideally conformal. Nevertheless, the conformal surface coating would inevitably alter the ORR pathways that initially take place on the surface of the backbone. To reveal the impact of the conformal coating on both the catalytic activity and the conductivity of the cathode, the unary electrocatalyst of Pt or CoO x , was applied to the LSCF/SDC composite electrode of inherently functional SOFCs, respectively. Both ALD coating layers evolve strong interaction with the LSCF composite cathode. Upon operations, the Pt coating layer remains conformal on LSCF grain surfaces but turns into discrete particles on SDC grain surfaces. Meanwhile, CoO x conformal coating grows to be the discrete nanograins on both the LSCF and SDC grains. ALD coating of the cathode alone reduces the ohmic resistance up to 28 % for the entire cells. The increased conductivity induced by the ALD coating of Pt or CoO x is ascribed to different mechanisms. For the inherent functional SOFCs, the present study presents a novel and feasible approach to apply a conformal, dense coating layer on the surface of a mixed conductor, simultaneously increasing the conductivity and durability of the SOFC cathode. (2). High resistance of the oxygen electrode still significantly hinders the state-of-the-art Solid Oxide Fuel Cells (SOFCs). In particular, for an oxygen electrode consisting of mixed electronic and ionic conductors, such as perovskite lanthanum strontium cobalt ferrite (LSCF), it deteriorates due to its low chemical stability of the grain surface. Such degradation is often associated with the segregation of cations. To prevent the cation surface segregation and its resultant perovskite phase decomposition, we demonstrate a conformal ultra-thin (7-10 nm) surface heterogeneous coating layer consisting of subjacent discrete Pt nanoparticles capped with a superjacent fully dense conformal CoO x layer. The performance studies indicate the ALD coating reduces the cell series resistance by up to 40 %. The conformal CoO x layer consists of randomly orientated but single-layered nanograins, with high-density intergranular and surface grain boundaries serving as the electrochemical reaction sites and facilitating mass transport. The conformal coating layer appears to have successfully suppressed the Sr outward diffusion and confined the Sr enriched layer to a ~ 2 nm interface perovskite phase between the coating layer and the LSCF grain surface. Moreover, this ultra-thin Sr enriched perovskite layer presumably possesses high oxygen vacancy and high ionic conductivity and further imposes tensile strain to the LSCF grain surfaces. With the combination of a conformal CoO x nanoionics, Sr enriched layer, and its strained interface, the ALD coating induced surface layer is estimated to have a conductivity of ~ 1.27x10 4 S/cm, which is over two orders magnitude of that from LSCF at 750 ºC.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

Chemical complexity suppresses interstitial solute segregation to screw dislocation cores in the bcc NbTaTiHfZr high-entropy alloy

Recent reports suggest that interstitial solute additions to body-centered cubic (bcc) high-entropy alloys (HEAs) may enhance their mechanical properties. However, details of interactions between interstitial atoms and dislocations in these HEAs remain incompletely understood. Using first-principles calculations, we examine the energetics of C, N, and O interstitial solutes in elemental bcc metals and NbTaTiHfZr, focusing on their segregation in screw dislocation cores. We examine two types of core sites and show that the low-energy configuration and associated segregation energy depend on the transition metal group. In NbTaTiHfZr, we find that chemical complexity substantially suppresses interstitial segregation in dislocation cores, as fluctuations in bulk solute energies induce energetically favorable sites that disfavor segregation to core sites. Local chemical order further enhances this effect by promoting solute clustering away from dislocation cores. These findings reveal fundamental differences between the behavior of interstitial atoms in elemental metals and HEAs, with implications for high-temperature plasticity and dynamic strain aging.

Body-centered cubic transition metals↗
DOE OSTI2022

Quaternary MgSiN 2 -GaN alloy semiconductors for deep UV applications

Ultrawide direct band gap semiconductors hold great promise for deep ultraviolet optoelectronic applications. Here we evaluate the potential of MgSiN 2 -GaN alloys for this purpose. Although MgSiN 2 itself has an indirect gap ~0.4 eV below its direct gap of ~6.5 eV, its different sign lattice mismatch from GaN in two different basal plane directions could avoid the tensile strain which limits Al x Ga 1–x N on GaN for high x. Two octet-rule-preserving structures (with space groups Pmn2 1 and P1n1) of a 50% alloy of MgSiN 2 and GaN are investigated and are both found to have gaps larger than 4.75 eV using quasiparticle self-consistent GW calculations. Both are nearly direct gap in the sense that the indirect gap is less than 0.1 eV lower than the direct gap. Furthermore, their mixing energies are positive yet small, with values of 8 (31) meV/atom for Pmn2 1 (P1n1), indicating only a small driving force toward phase separation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Low-nickel cathode chemistry for sustainable and high-energy lithium-ion batteries

The transition to sustainable energy storage demands lithium-ion batteries with high energy density and reduced reliance on critical metals such as nickel (Ni), yet current strategies to increase capacity have largely depended on raising Ni content, leading to escalating supply risks, rising costs and sustainability concerns. More critically, Ni-rich cathodes suffer from rapid electrochemical degradation driven by structural instability, creating an insurmountable trade-off between capacity and cycle life. Here, in this study, we introduce a low-Ni chemistry cathode, Li(Li 0.05 Ni 0.57 Mn 0.31 Co 0.07 )O 2 , with a radial phase integration design that overcomes these limitations, enabling a remarkable Ni usage reduction (Ni < 0.6) while demonstrating high capacity (215 mAh g −1 ) and markedly improved cyclability (~97% retention over 400 cycles) compared to conventional high-Ni cathodes (Ni = 0.8). Advanced X-ray and electron microscopy analyses reveal that the designed cathode exhibits a highly reversible oxygen anionic redox, benefiting from a structurally stable surface and minimizing irreversible phase transitions. Moreover, the integrated structure substantially mitigates lattice strain and improves mechanical stability even under harsh conditions. In conclusion, this advance offers a general design principle for developing next-generation cathodes that combine resource efficiency with long-term electrochemical reliability.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Single-crystalline orthorhombic GdAlGe as a rare-earth magnetic Dirac nodal-line metal

Crystal engineering is a method for discovering new quantum materials and phases, which may be achieved using external pressure or strain. Chemical pressure is unique in that it generates internal pressure perpetually to the lattice. As an example, GdAlSi from the rare-earth (𝑅) 𝑅⁢Al⁢𝑋 (𝑋=Si or Ge) family of Weyl semimetals is considered. Replacing Si with the larger isovalent element Ge creates sufficiently large chemical pressure to induce a structural transition from the tetragonal structure of GdAlSi, compatible with a Weyl semimetallic state, to an orthorhombic phase in GdAlGe, resulting in an inversion-symmetry-protected nodal-line metal. We find that GdAlGe hosts an antiferromagnetic ground state with two successive orderings, at 𝑇 N ⁢1=35K and 𝑇 N ⁢2=30K. In-plane isothermal magnetization shows a magnetic field induced metamagnetic transition at 6.2 T for 2 K. Furthermore, electron-hole compensation gives rise to a large magnetoresistance of ∼100% at 2 K and 14 T. Angle-resolved photoemission spectroscopy measurements and density functional theory calculations reveal a Dirac-like linear band dispersion over an exceptionally large energy range of ∼1.5eV with a high Fermi velocity of ∼10 6 m/s, a rare feature not observed in any magnetic topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A bloom of a single bacterium shapes the microbiome during outdoor diatom cultivation collapse

Algae-dominated ecosystems are fundamentally influenced by their microbiome. We lack information on the identity and function of bacteria that specialize in consuming algal-derived dissolved organic matter in high algal density ecosystems such as outdoor algal ponds used for biofuel production. Here, we describe the metagenomic and metaproteomic signatures of a single bacterial strain that bloomed during a population-wide crash of the diatom, Phaeodactylum tricornutum, grown in outdoor ponds. 16S rRNA gene data indicated that a single Kordia sp. strain (family Flavobacteriaceae) contributed up to 93% of the bacterial community during P. tricornutum demise. Kordia sp. expressed proteins linked to microbial antagonism and biopolymer breakdown, which likely contributed to its dominance over other microbial taxa during diatom demise. Analysis of accompanying downstream microbiota (primarily of the Rhodobacteraceae family) provided evidence that cross-feeding may be a pathway supporting microbial diversity during diatom demise. In situ and laboratory data with a different strain suggested that Kordia was a primary degrader of biopolymers during algal demise, and co-occurring Rhodobacteraceae exploited degradation molecules for carbon. An analysis of 30 Rhodobacteraceae metagenome assembled genomes suggested that algal pond Rhodobacteraceae commonly harbored pathways to use diverse carbon and energy sources, including carbon monoxide, which may have contributed to the prevalence of this taxonomic group within the ponds. These observations further constrain the roles of functionally distinct heterotrophic bacteria in algal microbiomes, demonstrating how a single dominant bacterium, specialized in processing senescing or dead algal biomass, shapes the microbial community of outdoor algal biofuel ponds.

Kordia↗
DOE OSTI2025

Quantitative Assessment of Parent Well Effect on Hydraulic Fracture Propagation at HFTS2: Insights from Cross-Well Strain Measurements and Microseismic Data

Understanding fracture propagation behavior is essential for optimizing hydraulic fracturing in unconventional reservoirs. This study demonstrates the value of integrating Low-Frequency Distributed Acoustic Sensing (LF-DAS) and microseismic data, which together provide a more complete picture of fracture growth. Using data from Hydraulic Fracturing Test Site 2 (HFTS2), we identify stress changes in depletion zones induced by parent wells as a key factor influencing fracture propagation. This result is shown by new measurements of in-situ fracture propagation velocity and fracture-hit volume (fluid volume at fracture hit?) from LF-DAS and event density from microseismic. These findings highlight the importance of considering parent well effects, well spacing, and stimulation sequencing in completion design to improve reservoir development and production efficiency.

depletion zones↗
DOE OSTI2024

Synchrotron-based Characterization Techniques for Radiation Detection Materials and Devices: An Overview

High-performance room-temperature radiation detectors (high energy resolution for spectrometers, high spatial resolution for imaging devices, and low defect-density for high flux applications) are needed for photon energies (>20 keV) that are not well suited for silicon detectors. Applications for such radiation detectors include nonproliferation, synchrotron, medical, astrophysics, and homeland security. Material- and device- characterization to understand and solve the limiting factors of radiation detection materials and devices is a core element of a radiation detector development R&D program. This presentation will give an overview on the two main synchrotron-based characterization techniques that have been employed by the authors in the last ~20 years: (1) White Beam X-ray Diffraction Topography and (2) Micron-scale detector mapping. A perfect (one domain) crystal (radiation detection material) is a requirement to achieve a highperformance radiation detector. White Beam X-ray Diffraction Topography (WBXDT) allows the rapid screening of the crystallinity of the detector material. With WBXDT we can quickly screen CZT and other crystals to make sure they have only one domain, and to see the presence of extended defects and strain fields.

Camarda, Giuseppe S.↗
DOE OSTI2025

Controlling structural phases of Sn through lattice engineering

Topology and superconductivity, two distinct phenomena, offer unique insight into quantum properties and their applications in quantum technologies, spintronics, and sustainable energy technologies. Tin (Sn) plays a pivotal role here as an element because of its two structural phases, α-Sn exhibiting topological characteristics and β-Sn showing superconductivity. Here, we demonstrate precise control of these phases in Sn thin films using molecular beam epitaxy with systematically varied lattice parameters of the buffer layer. The Sn films exhibit either β-Sn or α-Sn phases as the buffer layer's lattice constant varies from 6.10 Å to 6.48 Å, spanning the range from GaSb (like InAs) to InSb. Further, the crystal structures of α- and β-Sn films are characterized by x-ray diffraction and confirmed by Raman spectroscopy and scanning transmission electron microscopy. Atomic force microscopy validates the smooth, continuous surface morphology. Electrical transport measurements further verify the phases: resistance drop near 3.7 K for β-Sn superconductivity and Shubnikov-de Haas oscillations for α-Sn topological characteristics. Density functional theory shows that α-Sn is stable under tensile strain and β-Sn under compressive strain, aligning well with experimental findings. Hence, this study introduces a platform controlling Sn phases through lattice engineering, enabling innovative applications in quantum technologies and beyond.

36 MATERIALS SCIENCE↗