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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Compression failure of angle-ply laminates

The present work deals with modes and mechanisms of failure in compression of angle-ply laminates. Experimental results were obtained from 42 angle-ply IM7/8551-7a specimens with a lay-up of ((plus or minus theta)/(plus or minus theta)) sub 6s where theta, the off-axis angle, ranged from 0 degrees to 90 degrees. The results showed four failure modes, these modes being a function of off-axis angle. Failure modes include fiber compression, inplane transverse tension, inplane shear, and inplane transverse compression. Excessive interlaminar shear strain was also considered as an important mode of failure. At low off-axis angles, experimentally observed values were considerably lower than published strengths. It was determined that laminate imperfections in the form of layer waviness could be a major factor in reducing compression strength. Previously developed linear buckling and geometrically nonlinear theories were used, with modifications and enhancements, to examine the influence of layer waviness on compression response. The wavy layer is described by a wave amplitude and a wave length. Linear elastic stress-strain response is assumed. The geometrically nonlinear theory, in conjunction with the maximum stress failure criterion, was used to predict compression failure and failure modes for the angle-ply laminates. A range of wave length and amplitudes were used. It was found that for 0 less than or equal to theta less than or equal to 15 degrees failure was most likely due to fiber compression. For 15 degrees less than theta less than or equal to 35 degrees, failure was most likely due to inplane transverse tension. For 35 degrees less than theta less than or equal to 70 degrees, failure was most likely due to inplane shear. For theta less than 70 degrees, failure was most likely due to inplane transverse compression. The fiber compression and transverse tension failure modes depended more heavily on wave length than on wave amplitude. Thus using a single parameter, such as a ratio of wave amplitude to wave length, to describe waviness in a laminate would be inaccurate. Throughout, results for AS4/3502, studied previously, are included for comparison. At low off-axis angles, the AS4/3502 material system was found to be less sensitive to layer waviness than IM7/8551-7a. Analytical predictions were also obtained for laminates with waviness in only some of the layers. For this type of waviness, laminate compression strength could also be considered a function of which layers in the laminate were wavy, and where those wavy layers were. Overall, the geometrically nonlinear model correlates well with experimental results.

Peel, Larry D.↗
DOE OSTI2026

CoSn-type NiIn1–xSbx (0 ≤ x ≤ 0.17): Site-Selective Substitution, Electronic Structure, Chemical Bonding, and Structural Transformation

CoSn-type intermetallic compounds have emerged as a model platform for Kagome-derived flat-band physics, where subtle chemical perturbations can strongly influence electronic structure and phase stability. Here, we present a combined experimental and theoretical study of Sb-substitution in CoSn-type NiIn1–xSbx (0 ≤ x ≤ 0.17) to elucidate the interplay between site selectivity, solubility limit, chemical bonding, and electronic structure. Rietveld refinements on Neutron powder diffraction data confirmed the selective Sb-substitution at the electron-rich In2 (2d) site forming the honeycomb substructure, while the In1 (1a) site within the Kagome layer remains exclusively occupied by In. Density functional theory (DFT) calculations revealed that pristine CoSn-type NiIn hosts Ni 3d-dominated flat bands near the Fermi level (EF), originating from the Kagome-like Ni substructure. Partial replacement of In by Sb within the honeycomb layer alters these flat-band features below EF, reducing the density of states and suppressing the flat-band topology near the Fermi level. Orbital-resolved electronic structure and chemical-bonding analyses show that Sb-substitution enhances Ni-p-block (In/Sb) covalency and optimizes charge compensation, stabilizing the CoSn-type structure up to the solubility limit x ≈ 0.17. Beyond the limit, the higher-Sb compositions show satellite reflections consistent with an incommensurately modulated phase. These results establish a link between site-selective chemical substitution, bonding optimization, and flat-band electronic structure evolution, providing fundamental insights into how chemical substitution influences the electronic properties of Kagome-based intermetallic compounds.

Roy, Nilanjan [National Institute of Technology Si↗
NASA NTRS1993

A Regional Analysis of Cloudy Mean Spherical Albedo over the Marine Stratocumulus Region and the Tropical Atlantic Ocean

Since clouds are the largest variable in Earth's radiation budget, it is critical to determine both the spatial and temporal characteristics of their radiative properties. This study examines the relationships between cloud properties and cloud fraction in order to supplement grid scale parameterizations. The satellite data used in this study is from three hourly ISCCP (International Satellite Cloud Climatology Project) and monthly ERBE (Earth Radiation Budget Experiment) data on a 2.50 x 2.50 latitude-longitude grid. Mean cloud spherical albedo, the mean optical depth distribution and cloud fraction are examined and compared off the coast of California and the mid-tropical Atlantic for July 1987 and 1988. Individual grid boxes and spatial averages over several grid boxes are correlated to Coakleys (1991) theory of reflection for uniform and broken layered cloud and to Kedem, et al.(1990) findings that rainfall volume and fractional area of rain in convective systems is linear. Kedem's hypothesis can be expressed in terms of cloud properties. That is, the total volume of liquid in a box is a linear function of cloud fraction. Results for the marine stratocumulus regime indicate that albedo is often invariant for cloud fractions of 20% to 80%. Coakley's satellite model of small and large clouds with cores (1 km) and edges (100 in) is consistent with this observation. The cores maintain high liquid water concentrations and large droplets while the edges contain low liquid water concentrations and small droplets. Large clouds are just a collection of cores. The mean optical depth (TAU) distributions support the above observation with TAU values of 3.55 to 9.38 favored across all cloud fractions. From these results, a method based upon Kedem, et al. theory is proposed to separate the cloud fraction and liquid water path (LWP) calculations in a general circulation model (GCM). In terms of spatial averaging, a linear relationship between albedo and cloud fraction is observed. For tropical locations outside the Intertropical Convergence Zone (ITCZ), results of cloud fraction and albedo spatial averaging followed that of the stratus boxes containing few overcast scenes. Both the ideas of Coakley and Kedem, et al. apply. Within the ITCZ, the grid boxes tended to have the same statistical properties as stratus boxes containing many overcast scenes. Because different dynamical forcing mechanisms are present, it is difficult to devise a method for determining subgrid scale variations. Neither of the theories proposed by Kedem, et al. or Coakley works well for the boxes with numerous overcast scenes.

Ginger, Kathryn M.↗
NASA NTRS1993

A regional analysis of cloudy mean spherical albedo over the marine stratocumulus region and the tropical Atlantic Ocean

Since clouds are the largest variable in Earth's radiation budget, it is critical to determine both the spatial and temporal characteristics of their radiative properties. The relationships between cloud properties and cloud fraction are studied in order to supplement grid scale parameterizations. The satellite data used is from three hourly ISCCP (International Satellite Cloud Climatology Project) and monthly ERBE (Earth Radiation Budget Experiment) data on a 2.5 deg x 2.5 deg latitude-longitude grid. Mean cloud spherical albedo, the mean optical depth distribution, and cloud fraction are examined and compared off the coast of California and the mid-tropical Atlantic for July 1987 and 1988. Individual grid boxes and spatial averages over several grid boxes are correlated to Coakley's theory of reflection for uniform and broken layered cloud and to Kedem, et al.'s findings that rainfall volume and fractional area of rain in convective systems is linear. Kedem's hypothesis can be expressed in terms of cloud properties. That is, the total volume of liquid in a box is a linear function of cloud fraction. Results for the marine stratocumulus regime indicate that albedo is often invariant for cloud fractions of 20% to 80%. Coakley's satellite model of small and large clouds with cores (1 km) and edges (100 m) is consistent with this observation. The cores maintain high liquid water concentrations and large droplets while the edges contain low liquid water concentrations and small droplets. Large clouds are just a collection of cores. The mean optical depth (TAU) distributions support the above observation with TAU values of 3.55 to 9.38 favored across all cloud fractions. From these results, a method based upon Kedem, et al's theory is proposed to separate the cloud fraction and liquid water path (LWP) calculations in a general circulation model (GCM). In terms of spatial averaging, a linear relationship between albedo and cloud fraction is observed. For tropical locations outside the Intertropical Convergence Zone (ITCZ), results of cloud fraction and albedo spatial averaging followed that of the stratus boxes containing few overcast scenes. Both the ideas of Coakley and Kedem, et al. apply. Within the ITCZ, the grid boxes tended to have the same statistical properties as stratus boxes containing many overcast scenes. Because different dynamical forcing mechanisms are present, it is difficult to devise a method for determining subgrid scale variations. Neither of the theories proposed by Kedem, et al. or Coakley works well for the boxes with numerous overcast scenes.

Ginger, Kathryn M.↗
DOE OSTI2024

Quantum-Confined Lifshitz Transition on Weyl Semimetal T d -MoTe 2

Adsorption of alkali atoms onto material surfaces is widely utilized for controlling electronic properties and is particularly effective for two-dimensional materials. While tuning the chemical potential and band gap and creating quantum-confined states are well established for alkali adsorption on semiconductors, the effects on semimetallic systems remain largely elusive. Here, utilizing angle-resolved photoemission spectroscopy measurements and density functional theory calculations, we disclose the creation of two-dimensional electron gas and the quantum-confined Lifshitz transition at the surface of a Weyl semimetal T d -MoTe 2 by potassium adsorption. Electrons from potassium adatoms are shown to be transferred mainly to the lowest unoccupied band within the gapped part of the Brillouin zone, which, in turn, induces strong surface band bending and quantum confinement in the topmost layer. The quantum-confined topmost layer evolves from a semimetal to a strong metal with a Lifshitz transition departing substantially from the bulk band. The present finding and its underlying mechanism can be exploited for the creation of electronic heterojunctions in van der Waals semimetals.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Coverage-dependent structures and thermodynamic stability of intercalated Gd layers beneath buffer-layer graphene on SiC(0001)

Electronic properties of two-dimensional (2D) materials are strongly influenced by their atomic arrangements, making the theoretically-aided characterization of experimentally-synthesized 2D structures crucial. Using first-principles density functional theory, we analyze nearly 200 configurations of intercalated Gd layers beneath buffer-layer graphene on SiC(0001) over a Gd coverage range of 0.01 < θ < 1.2. By fully relaxing selectively-constructed configurations at each coverage within a large, low-strain supercell, we determine the coverage dependence of the chemical potential for intercalated Gd structures. Thermodynamically-preferred configurations below θ ≈ 0.8 form single-atom-thick monolayers, while 3D-like or multilayer structures emerge beyond θ ≈ 0.9. Most structures are amorphous-like, including the configuration at the chemical potential minimum around θ ≈ 0.4. In contrast, a strongly stretched Gd(0001)-like monolayer at θ = 1/3 and a nearly perfect Gd(0001) monolayer at θ = 1 are significantly less favorable with 0.16 eV and 0.82 eV higher chemical potentials above the minimum, respectively. Furthermore, the graphene layer decoupled by intercalated Gd near the chemical potential minimum is significantly flatter compared to its morphology above intercalated 3D structures at higher coverages and nearly isolated Gd atoms in the lowest coverage region. In conclusion, these findings align with our experimental results and underscore the need for further research on this unique intercalated system, which holds significant potential for diverse applications.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Chemical and Thermal Nonequilibrium Heat-Transfer Analysis for Hypervelocity, Low Reynolds Number Flow

Chemical and thermal nonequilibrium phenomena are studied in the stagnation region of a hypervelocity blunt body. This investigation is motivated by the need to predict the heat-transfer rate to the leading edge of aeromaneuvering orbital transfer vehicles. Flight speeds of approximately 10 km/s at altitudes of approximately 80 km are considered for body radii of 1-50 cm. The analysis is based on continuum theory and is applicable to the viscous and incipient merged layer regimes of rarefied flow. A two-species, two-temperature gas model is assumed. Comparisons are made with previous theories, experimental data, and results based on the thermodynamic equilibrium assumption. The equation accounting for vibrational nonequilibrium is presented and its effects on flow properties are discussed. Parameters requiring further investigation are identified. Preliminary results indicate that the inclusion of vibrational relaxation has little effect on the heat-transfer rate for a fully catalytic surface. However, vibrational nonequilibrium may increase the heat-transfer rate to a noncatalytic surface, depending on the degree of nonequilibrium.

Brown, Kevin G.↗
NASA NTRS2005

Microwave Signatures of Melting/Refreezing Snow: Observations and Modeling Using Dense Medium Radiative Transfer Theory

Microwave brightness temperatures of snow covered terrains can be modeled by means of the Dense Radiative Transfer Medium Theory (DMRT). In a dense medium, such as snow, the assumption of independent scattering is no longer valid and the scattering of correlated scatterers must be considered. In the DMRT, this is done considering a pair distribution function of the particles position. In the electromagnetic model, the snowpack is simulated as a homogeneous layer having effective permittivity and albedo calculated through the DMRT. In order to account for clustering of snow crystals, a model of cohesive particles can be applied, where the cohesion between the particles is described by means of a dimensionless parameters called stickiness (z), representing a measure of the inversion of the attraction of the particles. The lower the z the higher the stickiness. In this study, microwave signatures of melting and refreezing cycles of seasonal snowpacks at high altitudes are studied by means of both experimental and modeling tools. Radiometric data were collected 24 hours per day by the University of Michigan Tower Mounted Radiometer System (TMRS). The brightness temperatures collected by means of the TMRS are simulated by means of a multi-layer electromagnetic model based on the dense medium theory with the inputs to the model derived from the data collected at the snow pits and from the meteorological station. The paper is structured as follows: in the first Section the temperature profiles recorded by the meteorological station and the snow pit data are presented and analyzed; in the second Section, the characteristics of the radiometric system used to collect the brightness temperatures are reported together with the temporal behavior of the recorded brightness temperatures; in the successive Section the multi-layer DMRT-based electromagnetic model is described; in the fourth Section the comparison between modeled and measured brightness temperatures is discussed. We dedicate the last Section to the conclusions and future works.

Tedesco, Marco↗
DOE OSTI2023

Detecting Permafrost Active Layer Thickness Change From Nonlinear Baseflow Recession

We report permafrost underlies about one fifth of the global land area and affects ground stability, freshwater runoff, soil chemistry, and surface-atmosphere gas exchange. The depth of thawed ground overlying permafrost (active layer thickness) has broadly increased across the Arctic in recent decades, coincident with a period of increased streamflow, especially the lowest flows (baseflow). Mechanistic links between active layer thickness and baseflow have recently been explored using linear reservoir theory, but most watersheds behave as nonlinear reservoirs. We derive theoretical nonlinear relationships between long-term average saturated soil thickness $\bar{η}$(proxy for active layer thickness) and long-term average baseflow. When applied to 38 years of daily streamflow data for the Kuparuk River basin on the North Slope of Alaska, the theory predicts $\bar{η}$ increased 0.17 ± 0.22[2σ] cm a -1 between 1983 and 2020 (6.4 ± cm total). The rate of increase nearly doubled to 0.29 ± 0.31 cm a -1 between 1990 and 2020, during which time local field measurements from Circumpolar Active Layer Monitoring sites indicate the active layer increased 0.31 ± 0.22 cm a -1 . The predicted rate of increase more than doubled again between 2002 and 2020, outpacing a near doubling of observed active layer thickening, consistent with trends in terrestrial water storage inferred from Gravity Recovery and Climate Experiment satellite gravimetry and Modern-Era Retrospective Analysis for Research and Applications climate reanalysis. Overall, hydrologic change is accelerating in the Kuparuk River basin, and we provide a theoretical framework for estimating basin-scale changes in active layer water storage from streamflow measurements.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Compression failure of angle-ply laminates

Test results from the compression loading of (+ or - Theta/ - or + Theta)(sub 6s) angle-ply IM7-8551-7a specimens, 0 less than or = Theta less than or = 90 degs, are presented. The observed failure strengths and modes are discussed, and typical stress-strain relations shown. Using classical lamination theory and the maximum stress criterion, an attempt is made to predict failure stress as a function of Theta. This attempt results in poor correlation with test results and thus a more advanced model is used. The model, which is based on a geometrically nonlinear theory, and which was taken from previous work, includes the influence of observed layer waviness. The waviness is described by the wave length and the wave amplitude. The theory is briefly described and results from the theory are correlated with test results. It is shown that by using levels of waviness observed in the specimens, the correlation between predictions and observations is good.

Peel, L. D.↗
NASA NTRS1976

An engineering procedure for calculating compressive strength of isogrid cylindrical shells with buckled skin

An engineering procedure is presented for calculating the compressive buckling strength of isogrid cylinders using shell of revolution techniques and accounting for loading beyond the material proportional limit and/or local buckling of the skin prior to general buckling. A general nondimensional chart is presented which can be used in conjunction with formulas based on simple deformation plasticity theory to calculate postbuckling stiffnesses of the skin. The stiffening grid system is treated as an equivalent isotropic grid layer. Stiffnesses are determined for this grid layer, when loaded beyond the proportional limit, by the same plasticity theory used for the skin and a nonlinear stress-strain curve constructed from simple isogrid-handbook formulas and standard-reference-manual stress-strain curves for the material involved. Comparison of prebuckling strains and buckling results obtained by this procedure with data from a large isogrid-cylinder test is excellent with the calculated buckling load no more than 4 percent greater than the test value.

Heard, W. L., Jr.↗
DOE OSTI2020

The Concept of Negative Capacitance in Ionically Conductive Van der Waals Ferroelectrics

Negative capacitance (NC) provides a path to overcome the Boltzmann limit that dictates operating voltages in transistors and, therefore, may open up a path to the challenging proposition of lowering energy consumption and waste heat in nanoelectronic integrated circuits. Typically, NC effects in ferroelectric materials are based on either stabilizing a zero-polarization state or slowing down ferroelectric switching in order to access NC regimes of the free-energy distribution. Here, a fundamentally different mechanism for NC, based on CuInP 2 S 6 , a van der Waals layered ferrielectric, is demonstrated. Using density functional theory and piezo-response force microscopy, it is shown that an unusual combination of high Cu-ion mobility and its crucial role in determining polarization magnitude and orientation (P) leads to a negative slope of the polarization versus the electric field E, dP/dE < 0, which is a requirement for NC. This mechanism for NC is likely to occur in a wide class of materials, offering new possibilities for NC-based devices. Finally, the nanoscale demonstration of this mechanism can be extended to the device-level by increasing the regions of homogeneous polarization and polarization switching, for example, through strain engineering and carefully selected electric field pulses.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhanced Oxide Reduction by Hydrogen at Cuprous Oxide–Copper Interfaces near Ascending Step Edges

We report that understanding the dynamic processes involved in the interaction of hydrogen with oxides is of fundamental importance in catalysis. This paper probes the reduction of Cu 2 O-‘29’ surfaces by hydrogen at room temperature combining in situ ambient pressure scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations. Reduction of the atomic layer thin Cu 2 O film is observed to be preferentially initiated2 at step edges and terrace defects, where perfect Cu 2 O(111) terraces are found to be stable towards hydrogenation under the same conditions. After a long induction period, regions of partially reduced Cu 2 O-‘29’ and metallic Cu co-exist before the surface is fully reduced to Cu(111). The reduction rate strongly depends on the nature of nearby Cu step edges. We propose a mechanism for the reduction of Cu 2 O-‘29’ by hydrogen where free copper atoms from ascending metallic step edges facilitate the formation of active ensembles for H 2 dissociation and transfer H to the edges of Cu2O regions

08 HYDROGEN↗
DOE OSTI2020

Local Strain and Polarization Mapping in Ferrielectric Materials

CuInP 2 S 6 (CIPS) is a van der Waals material that has attracted attention because of its unusual properties. Recently, a combination of density functional theory (DFT) calculations and piezoresponse force microscopy (PFM) showed that CIPS is a uniaxial quadruple-well ferrielectric featuring two polar phases and a total of four polarization states that can be controlled by external strain. In this study, we combine DFT and PFM to investigate the stress-dependent piezoelectric properties of CIPS, which have so far remained unexplored. The two different polarization phases are predicted to differ in their mechanical properties and the stress sensitivity of their piezoelectric constants. This knowledge is applied to the interpretation of ferroelectric domain images, which enables investigation of local strain and stress distributions. The interplay of theory and experiment produces polarization maps and layer spacings which we compare to macroscopic X-ray measurements. We found that the sample contains only the low-polarization phase and that domains of one polarization orientation are strained, whereas domains of the opposite polarization direction are fully relaxed. The described nanoscale imaging methodology is applicable to any material for which the relationship between electromechanical and mechanical characteristics is known, providing insight on structural, mechanical, and electromechanical properties down to ~10 nm length scales.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chemical Control of Symmetry and Bandgap in Tungsten Oxyhalide van der Waals Semiconductors

Tunability in solid-state materials is essential for testing theory, discovering quantum phases, and enabling functionality. Layered van der Waals (vdW) semiconductors offer a unique platform, providing new degrees of freedom at the two-dimensional (2D) limit through exfoliation and external controls. Here, in this study, we demonstrate tunability of symmetry and electronic structure via halogen substitution in a family of layered vdW tungsten oxyhalides. Substituting the halogens in WO 2 X 2 (X = I, Br, Cl) tunes the bandgap across a broad energy range and modifies the structural symmetry from centrosymmetric to noncentrosymmetric. By alloying WO 2 I 2– y Br y , we continuously tune the polar distortion and optical gap across the visible range. These insights into halogen substitution effects on symmetry and electronic structure lay the foundation for new tunable vdW semiconductors for optoelectronics and nonlinear optics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Heterobilayer moiré magnets: Moiré skyrmions and commensurate-incommensurate transitions

In this work, we study untwisted heterobilayers of ferromagnetic and antiferromagnetic van der Waals materials, with in particular a Dzyaloshinskii-Moriya interaction in the ferromagnetic layer. A continuum low-energy field theory is utilized to study such systems. We develop a phase diagram as a function of the strength of interlayer exchange and Dzyaloshinskii-Moriya interactions, combining perturbative and strong coupling analyses with numerical simulations using Landau-Lifshitz-Gilbert equations. Various moiré-periodic commensurate phases are found, and the commensurate-incommensurate transition is discussed. Among the commensurate phases, we observe an interesting skyrmion lattice phase wherein each moiré unit-cell hosts one skyrmion.

2-dimensional systems↗
DOE OSTI2022

Theoretical study of the crystal and electronic properties of α - RuI 3

The material α-RuCl 3 , with a two-dimensional Ru honeycomb sublattice, has attracted considerable attention because it may be a realization of the Kitaev quantum spin liquid. Recently, a new honeycomb material, α-RuCl 3 , was prepared under moderately high pressure, and it is stable under ambient conditions. However, different from α-RuCl 3 , α-RuI 3 was reported to be a paramagnetic metal without long-range magnetic order down to 0.35 K. Here, the structural and electronic properties of the quasi-two-dimensional α-RuI 3 are theoretically studied. First, based on first-principles density functional theory calculations, the ABC stacking honeycomb-layer R$\bar{3}$ (No. 148) structure is found to be the most likely stacking order for α-RuI 3 along the c axis. Furthermore, both R$\bar{3}$ and P$\bar{3}$1c are dynamically stable because no imaginary frequency modes were obtained in the phononic dispersion spectrum without Hubbard U. Moreover, the different physical behavior of α-RuI 3 compared to α-RuCl 3 can be understood naturally. The strong hybridization between Ru 4d and I 5p orbitals decreases the “effective” atomic Hubbard repulsion, leading the electrons of RuI3 to be less localized than in RuCl 3 . As a consequence, the effective electronic correlation is reduced from Cl to I, leading to the metallic nature of α-RuI 3 . Based on the DFT+U (Ueff=2 eV) plus spin-orbital coupling, we obtained a spin-orbit Mott insulating behavior for α-RuCl 3 and, with the same procedure, a metallic behavior for α-RuI 3 , in good agreement with experimental results. Furthermore, when introducing large (unrealistic) U eff =6 eV, the spin-orbit Mott gap opens in α-RuI 3 as well, supporting the physical picture we are proposing. Our results provide guidance to experimentalists and theorists working on two-dimensional transition metal tri-iodide layered materials.

2-dimensional systems↗
NASA NTRS1967

Lunar theory and processes

Physical and mechanical properties of lunar surface layer as determined from Surveyor III LANDING pictures

SURFACE LAYER↗