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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Electronic, magnetic, and structural properties of NiFeMnAl

Abstract Half-metallic Heusler compounds have been extensively studied in the recent years, both experimentally and theoretically, for potential applications in spin-based electronics. Here, we present the results of a combined theoretical and experimental study of the quaternary Heusler compound NiFeMnAl. Our calculations indicate that this material is half-metallic in the ground state and maintains its half-metallic electronic structure under a considerable range of external hydrostatic pressure and biaxial strain. NiFeMnAl crystallizes in the regular cubic Heusler structure, and exhibits ferromagnetic alignment. The practical feasibility of the proposed system is confirmed in the experimental section of this work. More specifically, a bulk ingot of NiFeMnAl was synthesized in A2 type disordered cubic structure using arc melting. It shows a high Curie temperature of about 468 K and a saturation magnetization of 2.3 μ B / f .u . The measured magnetization value is smaller than the one calculated for the ordered structure. This discrepancy is likely due to the A2 type atomic disorder, as demonstrated by our calculations. We hope that the presented results may be useful for researchers working on practical applications of spin-based electronics.

Physics↗
DOE OSTI2021

Valley filtering in strain-induced α-$\mathcal{T}_3$ quantum dots

We test the valley filtering capabilities of a quantum dot inscribed by locally straining an α-$\mathcal{T}_3$ lattice. Specifically, we consider an out-of-plane Gaussian bump in the center of a four-terminal configuration and calculate the generated pseudo-magnetic field having opposite direction for electrons originating from different valleys, the resulting valley-polarized currents, and the conductance between the injector and collector situated opposite one another. Depending on the quantum dot’s width and width-to-height ratio, we detect different transport regimes with and without valley filtering for both the α-$\mathcal{T}_3$ and Dice lattice structures. In addition, we analyze the essence of the conductance resonances with high valley polarization in terms of related (pseudo) Landau levels, the spatial distribution of the local density of states and the local current densities. The observed local charge and current density patterns reflect the local inversion symmetry-breaking by the strain, besides the global inversion symmetry breaking due to the scaling parameter α. By this way we can also filter out different sublattices

36 MATERIALS SCIENCE↗
DOE OSTI2026

Interplay of Quantum Size Effect and Tensile Strain on Surface Morphology of β-Sn(100) Islands

The quantum size effect (QSE) and strain effect are two key factors influencing the surface morphology of thin films, which can increase film surface roughness through QSE-induced thickness oscillation and strain-induced island formation, respectively. Surface roughness usually manifests in the early stages of film growth and diminishes beyond a critical thickness. In this work, we employ molecular beam epitaxy (MBE) to grow β-Sn(100) islands with varying thickness N on bilayer graphene-terminated 6H-SiC(0001) substrates. Scanning tunneling microscopy and spectroscopy measurements reveal an inverse surface roughness effect that highlights the interplay of QSE and misfit strain in shaping the surface morphology of β-Sn(100) islands. For N ≤ 10, the islands exhibit flat surfaces, while for N ≥ 26, the island surfaces become corrugated and patterned. For the intermediate range, i.e., 12 ≤ N ≤ 24, both flat and patterned surfaces coexist, with the percentage coverage of the patterned surface oscillating as a function of N. By performing density functional theory calculations, we demonstrate that the unusual surface pattern evolution in our MBE-grown β-Sn(100) islands is a result of the interplay between QSE-induced surface roughing and tensile strain-induced smoothening effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1982

Residual stress in high modulus carbon fibers

The modulus and residual strain in carbon fibers are measured by successively electrochemically milling away the fiber surface. Electrochemical etching is found to remove the carbon fiber surface very uniformly, in contrast to air and wet oxidation. The precision of fiber diameter measurements is improved by using a laser diffraction technique instead of optical methods. More precise diameter measurements reveal that past correlations of diameter and fiber modulus are largely measurement artifact. The moduli of most carbon fibers decrease after the outer layers of the fibers are removed. Owing to experimental difficulties, the moduli and strengths of the fibers at their centers are not determined, and moduli are estimated on the basis of microstructure. The calculated residual stresses are found to be insensitive to these moduli estimates as well as the exact form of regression equation used to describe the moduli and residual strain distributions. Axial compressive residual stresses are found to be very high for some higher modulus carbon fibers. It is pointed out that the compressive stress makes the fibers insensitive to surface flaws when loaded in tension but it may initiate failure by buckling when loaded in compression.

Chen, K. J.↗
DOE OSTI2024

Reference-free structural variant detection in microbiomes via long-read co-assembly graphs

Motivation: The study of bacterial genome dynamics is vital for understanding the mechanisms underlying microbial adaptation, growth, and their impact on host phenotype. Structural variants (SVs), genomic alterations of 50 base pairs or more, play a pivotal role in driving evolutionary processes and maintaining genomic heterogeneity within bacterial populations. While SV detection in isolate genomes is relatively straightforward, metagenomes present broader challenges due to the absence of clear reference genomes and the presence of mixed strains. In response, our proposed method rhea, forgoes reference genomes and metagenome-assembled genomes (MAGs) by encompassing all metagenomic samples in a series (time or other metric) into a single co-assembly graph. The log fold change in graph coverage between successive samples is then calculated to call SVs that are thriving or declining. Results: We show rhea to outperform existing methods for SV and horizontal gene transfer (HGT) detection in two simulated mock metagenomes, particularly as the simulated reads diverge from reference genomes and an increase in strain diversity is incorporated. We additionally demonstrate use cases for rhea on series metagenomic data of environmental and fermented food microbiomes to detect specific sequence alterations between successive time and temperature samples, suggesting host advantage. Our approach leverages previous work in assembly graph structural and coverage patterns to provide versatility in studying SVs across diverse and poorly characterized microbial communities for more comprehensive insights into microbial gene flux.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Unraveling the transformation pathway of the 𝛽 to 𝛾 phase transition in Ga 2 ⁢O 3 from atomistic simulations

Defect spinel 𝛾−Ga 2 ⁢O 3 is the least stable polymorph of Ga 2 ⁢O 3 , so its frequent appearance as a structural defect within or on the surface of monoclinic 𝛽−Ga 2 ⁢O 3 remains a mystery. Through first-principles calculations, we explore potential pathways for the phase transition from 𝛽−Ga 2⁢ O 3 to 𝛾−Ga 2 ⁢O 3 , and examine two key driving forces: tensile strain and Ga deficiency. When configurational entropy contributions to phase energies are included, the 𝛾 phase becomes energetically competitive with the 𝛽 phase, with the free energy difference between these phases diminishing even further under Ga-deficient conditions. Notably, a stability crossover occurs at room temperature at high vacancy concentrations ([V$^{3−}_{Ga}$]>3%) . A simple model 𝛽 → 𝛾 transformation pathway is identified, comprising two primary reactions, that enables the formation of the 𝛾 phase via simultaneous migration of Ga atoms from tetrahedral lattice sites to octahedral interstitial positions. The transformation barriers are prohibitively large in pristine Ga 2 ⁢O 3 , but can be substantially reduced by: (1) the presence of Ga vacancies, (2) elongational strains along the crystallographic 𝑎-axis, and (3) when volumetric relaxations are possible during transformation. These results elucidate prior experimental observations, where 𝛾−Ga 2⁢ O 3 is seen on damaged surfaces or in highly 𝑛-type 𝛽−Ga 2⁢ O 3 environments, which support Ga deficiency and mechanical strain. The insights into the driving forces and mechanisms of 𝛾−Ga 2⁢ O 3 formation enhance understanding of how localized strain and nonequilibrium defect concentrations may facilitate its formation from the 𝛽 phase.

Defects↗
NASA NTRS1992

Phase shift of TE and TM modes in an optical fiber due to axial strain (exact solution)

Axial strain may be determined by monitoring the phase shift of modes of a variety of optical fiber sensors. In this paper, the exact solution of a circular optical fiber is used to calculate the phase shift of the TE and TM modes. Whenever an optical fiber is stressed, the optical path length, the index of refraction, and the propagation constants of each fiber mode change. In consequence, the modal phase term, beta(ln)z, of the fields is shifted by an amount Delta phi. In certain cases, it is desirable to control the phase shift term in order to make the fiber either more or less sensitive to certain kinds of strain. It is shown that it can be accomplished by choosing appropriate fiber parameters.

Egalon, Claudio O.↗
NASA NTRS2011

The Effect of Boundary Support and Reflector Dimensions on Inflatable Parabolic Antenna Performance

For parabolic antennas with sufficient surface accuracy, more power can be radiated with a larger aperture size. This paper explores the performance of antennas of various size and reflector depth. The particular focus is on a large inflatable elastic antenna reflector that is supported about its perimeter by a set of elastic tendons and is subjected to a constant hydrostatic pressure. The surface accuracy of the antenna is measured by an RMS calculation, while the reflector phase error component of the efficiency is determined by computing the power density at boresight. In the analysis, the calculation of antenna efficiency is not based on the Ruze Equation. Hence, no assumption regarding the distribution of the reflector surface distortions is presumed. The reflector surface is modeled as an isotropic elastic membrane using a linear stress-strain constitutive relation. Three types of antenna reflector construction are considered: one molded to an ideal parabolic form and two different flat panel design patterns. The flat panel surfaces are constructed by seaming together panels in a manner that the desired parabolic shape is approximately attained after pressurization. Numerical solutions of the model problem are calculated under a variety of conditions in order to estimate the accuracy and efficiency of these antenna systems. In the case of the flat panel constructions, several different cutting patterns are analyzed in order to determine an optimal cutting strategy.

Coleman, Michael J.↗
DOE OSTI2022

Insight into ideal shear strength of Ni-based dilute alloys using first-principles calculations and correlational analysis

Here the present work examines the effect of alloying elements (denoted X) on the ideal shear strength for 26 dilute Ni-based alloys, Ni11X, as determined by first-principles calculations of pure alias shear deformations. The variations in ideal shear strength are quantitatively explored with correlational analysis techniques, showing the importance of atomic properties such as size and electronegativity. The shear moduli of the alloys are affirmed to show a strong linear relationship with their ideal shear strengths, while the shear moduli of the individual alloying elements were not indicative of alloy shear strength. Through combination with available ideal shear strength data on Mg alloys, a potential application of the Ni alloy data is demonstrated in the search for a set of atomic features suitable for machine learning applications to mechanical properties. As another illustration, the calculated Ni ideal shear strengths play a key role in a predictive multiscale framework for deformation behavior of single crystal alloys at large strains, as shown by simulated stress–strain curves.

36 MATERIALS SCIENCE↗
NASA NTRS1979

The design and testing of a memory metal actuated boom release mechanism

A boom latch and release mechanism was designed, manufactured and tested, based on a specification for the ISEE-B satellite mechanism. From experimental results obtained, it is possible to calculate the energy available and the operating torques which can be achieved from a torsional shape memory element in terms of the reversible strain induced by prior working. Some guidelines to be followed when designing mechanisms actuated by shape memory elements are included.

Powley, D. G.↗
NASA NTRS1981

Approximate analysis of postbuckled through-width delaminations

An approximate analysis was developed to analyze the postbuckling behavior of through-width delaminations in a laminated coupon. The analysis contains two parameters which are determined using a finite element analysis. After calculating the parameters for a few configurations, the approximate analysis was used to analyze many other configurations. Lateral deflections and mode I strain-energy release rates obtained with the approximate analysis were compared with results from the finite element analysis. For the configurations analyzed, the approximate analysis agreed very well with the finite element results.

Whitcomb, J. D.↗
NASA NTRS1982

The use of the PUCOT for elastic modulus measurements on intermetallics at high temperatures

The piezoelectric ultrasonic composite oscillator technique (PUCOT) is being applied to measure the elastic constants of the aluminides in the temperature ranges 300 to 1700 K (CoAl and NiAl) and 300 to 1500 K (FeAl). The PUCOT consists of piezoelectric quartz drive and gauge crystals to excite longitudinal or torsional ultrasonic (80 kHz) resonant stress waves in the specimen and alumina spacer rod of appropriate resonant lengths. The resonant system is driven by a closed loop oscillator which maintains a constant gauge voltage and hence constant strain amplitude in the specimen. While the specimen is heated at 20 K/h the resonant period is measured continuously. The elastic moduli are calculated from these values of the resonant period and accurate determinations of specimen length. The technique is described and some results given.

Wolfenden, A.↗
NASA NTRS1987

Eruptions of Pavlof Volcano and their possible modulation by ocean load and tectonic stresses

Data pertaining to the basic features (such as the volume of erupted materials and the rate of mass ejection) of the eruptions of the Pavlof Volcano, Alaska, and the accompanying seismicity were related to other geophysical data, including atmospheric pressure, earth and ocean-load tides, long-period sea level, and ground tilt. A significant correlation was found between the eruptions of the volcano and yearly nontidal variations in sea level, that possibly resulted from ocean loading; volume changes beneath the volcano due to ocean loading were calculated to be from 0.02 to 2 times eruption volumes. It is suggested that the volcano acts as a long-period volume strain meter, with lava being preferentially erupted when strain beneath the volcano is compressive. No eruptions occurred during the period of 1978-1980, when tilt, seismic data, and sea level data indicated that a deep aseismic slip may have occurred. Models of this aseismic event predict a volume increase beneath the volcano that might have compensated strain from magma injection.

Mcnutt, S. R.↗
NASA NTRS1989

Internal state variable approach for predicting stiffness reductions in fibrous laminated composites with matrix cracks

A mathematical model utilizing the internal state variable concept is proposed for predicting the upper bound of the reduced axial stiffnesses in cross-ply laminates with matrix cracks. The axial crack opening displacement is explicitly expressed in terms of the observable axial strain and the undamaged material properties. A crack parameter representing the effect of matrix cracks on the observable axial Young's modulus is calculated for glass/epoxy and graphite/epoxy material systems. The results show that the matrix crack opening displacement and the effective Young's modulus depend not on the crack length, but on its ratio to the crack spacing.

Lee, Jong-Won↗
NASA NTRS1992

Elastoplastic notch root strains - Measurements versus finite-element predictions

A study intended to experimentally and computationally probe the nature of the elastoplastic strain fields created by notches with various levels of constraint is presented. An interferometric strain/displacement gage is used to measure both the axial and lateral strain at the center of a machined and polished notch. The monotonic response of various notches is determined using 3D finite-element calculations.

Tregoning, R. L.↗
NASA NTRS2007

Mechanical Properties of Cells

Many physiologic and pathologic processes alter the biomechanical properties of the tissue they affect, and these changes may be manifest at the single cell level. The normal and abnormal mechanical properties of a given cell type can be established with the aid of an atomic force microscope (AFM), nonetheless, consistency in the area of the tip has been a mayor limitation of using the AFM for quantitative measurements of mechanical properties. This project attempts to overcome this limitation by using materials with a known elastic modulus, which resembles the one of the cell, to create force-deformation curves to calculate the area of indentation by means of Hooke s Law (sigma = E(epsilon)), which states that stress (sigma) is proportional to the strain (epsilon) where the constant of proportionality, E, is called the Young s modulus, also referred as the elastic modulus. Hook s Law can be rearranged to find the area of indentation (Area= Force/ E(epsilon)), where the indentation force is defined by the means of the added mass spring calibration method.

Bradley, Robert↗