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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Powder diffraction

Powder diffraction is a non-destructive technique, which is experimentally simple in principle. Because the physics behind diffraction is well understood, an exceptionally large amount of information can be obtained from a single measurement. The positions and relative intensities of the peaks yield a fingerprint that can be used for qualitative phase analysis. Quantitative phase analysis can be obtained by detailed analysis of the intensities. Unit cells can be derived from the peak positions. Crystal structures can be solved using powder diffraction data and refined by the Rietveld method. The peak profiles contain information about crystallite size, strain and nanostructure. Non-idealities in the intensities give information on texture. Abandoning the crystallographic model provides information about local structure, by pair distribution function analysis. For powder diffraction, everything is a sample; the technique is commonly applied to characterize minerals, ceramics, metals and alloys, catalysts, polymers, pharmaceuticals, organic compounds, environmental and forensic samples, among others. The major features of contemporary laboratory powder diffractometers are described. Methods for obtaining suitable powder specimens are summarized. Major applications of qualitative and quantitative phase analysis, structure solution, size/strain/nanostructure analysis using peak profiles, texture analysis and pair distribution function analysis are introduced.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Superconducting penetration depth through a Van Hove singularity: Sr 2 ⁢RuO 4 under uniaxial stress

A plethora of experiments in Sr 2 RuO 4 have reached conflicting conclusions about the symmetry of the superconducting gap. To probe the gap’s structure in k-space, we use strain to continuously tune the band structure through a Van Hove singularity (VHS) while imaging the superconductivity with scanning SQUID microscopy. We find that the superfluid density peaks at the VHS and that the temperature dependence of the penetration depth is T 2 -quadratic over the entire measured range of strain ε. These results are consistent with a gap structure that has vertical line nodes, experimentally confirming that non-local effects in the Meissner screening can lead to T 2 behavior and clarifying the nature of the low-energy excitations in Sr 2 RuO 4 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

The role of CenKR in the coordination of Rhodobacter sphaeroides cell elongation and division

ABSTRACT Cell elongation and division are essential aspects of the bacterial life cycle that must be coordinated for viability and replication. The impact of misregulation of these processes is not well understood as these systems are often not amenable to traditional genetic manipulation. Recently, we reported on the CenKR two-component system (TCS) in the Gram-negative bacterium Rhodobacter sphaeroides that is genetically tractable, widely conserved in α-proteobacteria, and directly regulates the expression of components crucial for cell elongation and division, including genes encoding subunit of the Tol-Pal complex. In this work, we show that overexpression of cenK results in cell filamentation and chaining. Using cryo-electron microscopy (cryo-EM) and cryo-electron tomography (cryo-ET), we generated high-resolution two-dimensional (2D) images and three-dimensional (3D) volumes of the cell envelope and division septum of wild-type cells and a cenK overexpression strain finding that these morphological changes stem from defects in outer membrane (OM) and peptidoglycan (PG) constriction. By monitoring the localization of Pal, PG biosynthesis, and the bacterial cytoskeletal proteins MreB and FtsZ, we developed a model for how increased CenKR activity leads to changes in cell elongation and division. This model predicts that increased CenKR activity decreases the mobility of Pal, delaying OM constriction, and ultimately disrupting the midcell positioning of MreB and FtsZ and interfering with the spatial regulation of PG synthesis and remodeling. IMPORTANCE By coordinating cell elongation and division, bacteria maintain their shape, support critical envelope functions, and orchestrate division. Regulatory and assembly systems have been implicated in these processes in some well-studied Gram-negative bacteria. However, we lack information on these processes and their conservation across the bacterial phylogeny. In R. sphaeroides and other α-proteobacteria, CenKR is an essential two-component system (TCS) that regulates the expression of genes known or predicted to function in cell envelope biosynthesis, elongation, and/or division. Here, we leverage unique features of CenKR to understand how increasing its activity impacts cell elongation/division and use antibiotics to identify how modulating the activity of this TCS leads to changes in cell morphology. Our results provide new insight into how CenKR activity controls the structure and function of the bacterial envelope, the localization of cell elongation and division machinery, and cellular processes in organisms with importance in health, host-microbe interactions, and biotechnology.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1980

Damage tolerance research on composite compression panels

The damage tolerance of composites was investigated. Results show that severe degradation in material strength may occur due to impact damage and that reduced strain allowables should be considered to compensate for possible impact damage. The mechanisms of failure involved in impact so that local damage will be reduced and arrest of propagating fracture initiated at impact locations are examined. Compression strength reductions for damage due to impact by a 1.27 cm diameter spherical projectile in thick laminates representative of wing skin panels are presented. Also discussed are the results of concepts recently evaluated to improve damage tolerance. These concepts range from improvements at the materials level to advanced structural configurations designed to arrest or limit the growth of propagating fractures. The results indicate that substantial improvements in the damage tolerance of graphite-epoxy composite structures can be achieved through the proper combination of materials and structural design.

Rhodes, M. D.↗
NASA NTRS1996

Life in a changing world: TCH gene regulation of expression and responses to environmental signals

The Arabidopsis TCH genes were discovered as a consequence of their marked upregulation of expression in response to seemingly innocuous stimuli such as touch. Further analyses have indicated that these genes are upregulated by a variety of diverse stimuli. Understanding the mechanism(s) and factors that control TCH gene regulation will shed light on the signaling pathways that enable plants to respond to changing environmental conditions. The TCH proteins include calmodulin, calmodulin-related proteins and a xyloglucan endotransglycosylase. Expression analyses and localization of protein accumulation indicate that the potential sites of TCH protein function include expanding cells and tissues under mechanical strain. We hypothesize that the TCH proteins may collaborate in cell wall biogenesis.

NASA Discipline Plant Biology↗
NASA NTRS1997

Plant responses to environmental stress: regulation and functions of the Arabidopsis TCH genes

Expression of the Arabidopsis TCH genes is markedly upregulated in response to a variety of environmental stimuli including the seemingly innocuous stimulus of touch. Understanding the mechanism(s) and factors that control TCH gene regulation will shed light on the signaling pathways that enable plants to respond to environmental conditions. The TCH proteins include calmodulin, calmodulin-related proteins and a xyloglucan endotransglycosylase. Expression analyses and localization of protein accumulation indicates that the potential sites of TCH protein function include expanding cells and tissues under mechanical strain. We hypothesize that at least a subset of the TCH proteins may collaborate in cell wall biogenesis.

Review, Tutorial↗
DOE OSTI2021

Inhomogeneous time-reversal symmetry breaking in Sr 2 RuO 4

We show that the observed time-reversal symmetry breaking (TRSB) of the superconducting state in Sr 2 RuO 4 can be understood as originating from inhomogeneous strain fields near edge dislocations of the crystal. Specifically, we argue that, without strain inhomogeneities, Sr 2 RuO 4 is a single-component, time-reversal symmetric superconductor, likely with d x 2 -y 2 symmetry. However, due to the strong strain inhomogeneities generated by dislocations, a slowly decaying subleading pairing state contributes to the condensate in significant portions of the sample. As it phase winds around the dislocation, time-reversal symmetry is locally broken. Global phase locking and TRSB occur at a sharp Ising transition that is not accompanied by a change of the single-particle gap and yields a very small heat capacity anomaly. Our model thus explains the puzzling absence of a measurable heat capacity anomaly at the TRSB transition in strained samples and the dilute nature of the time-reversal symmetry broken state probed by muon spin rotation experiments. We propose that plastic deformations of the material may be used to manipulate the onset of broken time-reversal symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Local ordering in Ge/Ge–Sn semiconductor alloy core/shell nanowires revealed by extended x-ray absorption fine structure (EXAFS)

Short-range atomic order in semiconductor alloys is a relatively unexplored topic that may promote design of new materials with unexpected properties. Here, local atomic ordering is investigated in Ge–Sn alloys, a group-IV system that is attractive for its enhanced optoelectronic properties achievable via a direct gap for Sn concentrations exceeding ≈10 at. %. The substantial misfit strain imposed on Ge–Sn thin films during growth on bulk Si or Ge substrates can induce defect formation; however, misfit strain can be accommodated by growing Ge–Sn alloy films on Ge nanowires, which effectively act as elastically compliant substrates. In this work, Ge core/Ge 1–x Sn x (x ≈ 0.1) shell nanowires were characterized with extended x-ray absorption fine structure (EXAFS) to elucidate their local atomic environment. Simultaneous fitting of high-quality EXAFS data collected at both the Ge K-edge and the Sn K-edge reveals a large (≈ 40%) deficiency of Sn in the first coordination shell around a Sn atom relative to a random alloy, thereby providing the first direct experimental evidence of significant short-range order in this semiconductor alloy system. Furthermore, comparison of path length data from the EXAFS measurements with density functional theory simulations provides alloy atomic structures consistent with this conclusion.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Primal interface debonding formulation for finite strain isotropic plasticity

In this work, a framework is developed for modeling ductile damage of nonlinear materials whose plastic deformation is characterized using rate independent classical plasticity. This method relies on the assumption that the free energy can be decomposed into elastic, plastic and damage parts. A thermodynamically consistent method is derived which satisfies the second law of thermodynamics in the Clausius–Duhem inequality form. The dissipation associated with plasticity takes place in the domain only, while damage dissipation is localized to the interface. The method is developed using Variational Multiscale ideas to obtain definitions of the interface fluxes within a primal formulation analogous to the Discontinuous Galerkin method, which ensures weakly vanishing interface gap prior to reaching a damage initiation criterion. The local nonlinear problem to calculate both plastic deformation gradient and damage variable follows an incremental approach similar to classical plasticity return mapping algorithm. This elastoplastic damage formulation is developed for material undergoing finite strain, and it naturally accommodates a trapezoidal traction separation law (TSL) whose shape can be varied to model either ductile interface behavior or brittle interface behavior. The formulation's performance is assessed through modeling a patch test and a compact tension specimen.

42 ENGINEERING↗
DOE OSTI2025

Nanoscale Strain and Octahedral Tilting Removes Structural and Nonradiative Defects in 2D-Templated FAPbI 3

The halide perovskite formamidinium lead iodide (FAPbI 3 ) is a prime candidate for photovoltaics due to its excellent optoelectronic properties, but its application has been limited due to its structural instability. The large size of the FA cation results in metastability of the photoactive cubic phase and a facile degradation into thermodynamically stable hexagonal phases at room temperature. Recently, the incorporation of two-dimensional (2D) Ruddlesden-Popper halide perovskite seeds into a FAPbI 3 precursor solution was shown to template the growth of and stabilize cubic FAPbI 3 . Here, in this study, we investigate the nanoscale structural and optoelectronic mechanisms behind the observed bulk stabilization using synchrotron-based X-ray microscopies. Nanoprobe X-ray diffraction reveals 2D-templated FAPbI 3 films exhibit an average compressive strain normal to the substrate of -3.3%, 2-fold larger than that of MACl-stabilized FAPbI 3 . This compression creates locally templated regions composed of tetragonal-phase FAPbI 3 distributed nonuniformly throughout the film with fewer crystalline defects than purely cubic regions. Scanning X-ray excited optical luminescence (X-ray analog of photoluminescence) reveals that this local templating results in increased radiative recombination and red-shifted band edge and emission. Our results provide insight into the microscopic mechanism for the phase stabilization of FAPbI 3 using 2D perovskites as templates.

X-ray diffraction↗
DOE OSTI2020

Defect accommodation in off-stoichiometric (SrTiO 3 ) n SrO Ruddlesden–Popper superlattices studied with positron annihilation spectroscopy

he low dielectric loss underlying the record performance of strained (SrTiO 3 ) n SrO Ruddlesden–Popper films as tunable microwave dielectrics was postulated to arise from (SrO) 2 faults accommodating local non-stoichiometric defects. Here, we explore the effect of non-stoichiometry on (SrTiO 3 ) n SrO using positron annihilation lifetime spectroscopy on a composition series of 300 nm thick n = 6 (Sr 1+δ TiO 3 ) n SrO thin films. These films show titanium-site vacancies across the stoichiometry series, with evidence that TiO x vacancy complexes dominate. Little change in defect populations is observed across the series, indicating the ability of Ruddlesden–Popper phases to accommodate ± 5% off-stoichiometry. This ability for defect accommodation is corroborated by scanning transmission electron microscopy with electron energy loss spectroscopy.

Physics↗
DOE OSTI2020

Coulomb correlation in noncollinear antiferromagnetic 𝛼-Mn

Here, we discuss the interplay between magnetic and structural degrees of freedom in elemental Mn. The equilibrium volume is shown to be sensitive to magnetic interactions between the Mn atoms. While the standard generalized gradient approximation underestimates the equilibrium volume, a more accurate treatment of the effects of electronic localization and magnetism is found to solve this longstanding problem. Our calculations also reveal the presence of a magnetic phase in strained $\alpha$-Mn that has been reported previously in experiments. This new phase of strained $\alpha$-Mn exhibits a noncollinear spin structure with large magnetic moments.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Cryogenic glass-filament-wound tank evaluation

High-pressure glass-filament-wound fluid storage vessels with thin aluminum liners were designed, fabricated, and tested at ambient and cryogenic temperatures which demonstrated the feasibility of producing such vessels as well as high performance and light weight. Significant developments and advancements were made in solving problems associated with the thin metal liners in the tanks, including liner bonding to the overwrap and high strain magnification at the vessel polar bosses. The vessels had very high burst strengths, and failed in cyclic fatigue tests by local liner fracture and leakage without structural failure of the composite tank wall. The weight of the tanks was only 40 to 55% of comparable 2219-T87 aluminum and Inconel 718 tanks.

Morris, E. E.↗
NASA NTRS1974

Analysis of three-point-bend test for materials with unequal tension and compression properties

An analysis capability is described for the three-point-bend test applicable to materials of linear but unequal tensile and compressive stress-strain relations. The capability consists of numerous equations of simple form and their graphical representation. Procedures are described to examine the local stress concentrations and failure modes initiation. Examples are given to illustrate the usefulness and ease of application of the capability. Comparisons are made with materials which have equal tensile and compressive properties. The results indicate possible underestimates for flexural modulus or strength ranging from 25 to 50 percent greater than values predicted when accounting for unequal properties. The capability can also be used to reduce test data from three-point-bending tests, extract material properties useful in design from these test data, select test specimen dimensions, and size structural members.

Chamis, C. C.↗
NASA NTRS1988

Unified constitutive model development for metal matrix composites at high temperature

Structural alloys used in high temperature applications exhibit complex thermomechanical behavior that is time dependent and hereditary. Recent attention is being focused on metal matrix composite materials for high temperature applications where they exhibit all the complexities of conventional alloys and their strong anisotropy adds further complexities. Here, a proven constitutive model for isotropic materials in which the inelastic strain rate and internal state are expressible as gradients of a dissipation potential is taken to depend on invariants that reflect local transverse isotropy. Applications illustrate the capability of the theory of representing the time dependent, hereditary, anisotropic behavior typical of these materials at high temperature.

Robinson, D. N.↗
NASA NTRS1996

Structural Evaluation of a Space Shuttle Main Engine (SSME) High Pressure Fuel Turbopump Turbine Blade

Thermal and structural finite-element analyses were performed on the first high pressure fuel turbopump turbine blade of the space shuttle main engine (SSME). A two-dimensional (2-D) finite-element model of the blade and firtree disk attachment was analyzed using the general purpose MARC (finite-element) code. The loading history applied is a typical test stand engine cycle mission, which consists of a startup condition with two thermal spikes, a steady state and a shutdown transient. The blade material is a directionally solidified (DS) Mar-M 246 alloy, the blade rotor is forged with waspalloy material. Thermal responses under steady-state and transient conditions were calculated. The stresses and strains under the influence of mechanical and thermal loadings were also determined. The critical regions that exhibited high stresses and severe localized plastic deformation were the blade-rotor gaps.

Abdul-Aziz, Ali↗
NASA NTRS1996

NOx Emissions from a Lobed Fuel Injector/Burner

The present experimental study examines the performance of a novel fuel injector/burner configuration with respect to reduction in nitrogen oxide NOx emissions. The lobed injector/burner is a device in which very rapid initial mixing of reactants can occur through strong streamwise vorticity generation, producing high fluid mechanical strain rates which can delay ignition and thus prevent the formation of stoichiometric diffusion flames. Further downstream of the rapid mixing region. this flowfield produces a reduced effective strain rate, thus allowing ignition to occur in a premixed mode, where it is possible for combustion to take place under locally lean conditions. potentially reducing NOx emissions from the burner. The present experiments compare NO/NO2/NOx emissions from a lobed fuel injector configuration with emissions from a straight fuel injector to determine the net effect of streamwise vorticity generation. Preliminary results show that the lobed injector geometry can produce lean premixed flame structures. while for comparable flow conditions, a straight fuel injector geometry produces much longer. sooting diffusion flames or slightly rich pre-mixed flames. NO measurements show that emissions from a lobed fuel injector/burner can be made significantly lower than from a straight fuel injector under comparable flow conditions.

Mitchell, M. G.↗
NASA NTRS2010

Vibration Response Predictions for Heavy Panel Mounted Components from Panel Acreage Environment Specifications

The development of new launch vehicles in the Aerospace industry often relies on response measurements taken from previously developed vehicles during various stages of liftoff and ascent, and from wind tunnel models. These measurements include sound pressure levels, dynamic pressures in turbulent boundary layers and accelerations. Rigorous statistical scaling methods are applied to the data to derive new environments and estimate the performance of new skin panel structures. Scaling methods have proven to be reliable, particularly for designs similar to the vehicles used as the basis for scaling, and especially in regions of smooth acreage without exterior protuberances or heavy components mounted to the panel. To account for response attenuation of a panel-mounted component due to its apparent mass at higher frequencies, the vibroacoustics engineer often reduces the acreage vibration according to a weight ratio first suggested by Barrett. The accuracy of the reduction is reduced with increased weight of the panel-mounted component, and does not account for low-frequency amplification of the component/panel response as a system. A method is proposed that combines acreage vibration from scaling methods with finite element analysis to account for the frequency-dependent dynamics of heavy panel-mounted components. Since the acreage and mass-loaded skins respond to the same dynamic input pressure, such pressure may be eliminated in favor of a frequency-dependent scaling function applied to the acreage vibration to predict the mass-loaded panel response. The scaling function replaces the Barrett weight ratio, and contains all of the dynamic character of the loaded and unloaded skin panels. The solution simplifies for spatially uncorrelated and fully correlated input pressures. Since the prediction uses finite element models of the loaded and unloaded skins, a rich suite of response data are available to the design engineer, including interface forces, stress and strain, as well as acceleration and displacement. An extension of the method is also developed to incorporate the effect of a local protuberance near a heavy component. Acreage environments from traditional scaling methods with and without protuberance effects serve as the basis for the extension. Authors:

Harrison, Phillip↗