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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Scanning Quantum Cryogenic Atom Microscope

Microscopic imaging of local magnetic fields provides a window into the organizing principles of complex and technologically relevant condensed-matter materials. However, a wide variety of intriguing strongly correlated and topologically nontrivial materials exhibit poorly understood phenomena outside the detection capability of state-of-the-art high-sensitivity high-resolution scanning probe magnetometers. We introduce a quantum-noise-limited scanning probe magnetometer that can operate from room-to-cryogenic temperatures with unprecedented dc-field sensitivity and micron-scale resolution. The Scanning Quantum Cryogenic Atom Microscope (SQCRAMscope) employs a magnetically levitated atomic Bose-Einstein condensate (BEC), thereby providing immunity to conductive and blackbody radiative heating. The SQCRAMscope has a field sensitivity of 1.4 nT per resolution-limited point (approximately 2 μm) or 6 nT/√Hz per point at its duty cycle. Furthermore, compared to point-by-point sensors, the long length of the BEC provides a naturally parallel measurement, allowing one to measure nearly 100 points with an effective field sensitivity of 600 pT/√Hz for each point during the same time as a point-by-point scanner measures these points sequentially. Moreover, it has a noise floor of 300 pT and provides nearly 2 orders of magnitude improvement in magnetic flux sensitivity (down to 10 -6 Φ 0 /√Hz) over previous atomic probe magnetometers capable of scanning near samples. These capabilities are carefully benchmarked by imaging magnetic fields arising from microfabricated wire patterns in a system where samples may be scanned, cryogenically cooled, and easily exchanged. We anticipate the SQCRAMscope will provide charge-transport images at temperatures from room temperature to 4 K in unconventional superconductors and topologically nontrivial materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Microscopic nonequilibrium energy transfer dynamics in a photoexcited metal/insulator heterostructure

The element specificity of soft x-ray spectroscopy makes it an ideal tool for analyzing the microscopic origin of ultrafast dynamics induced by localized optical excitation in metal-insulator heterostructures. As such, using [Fe/MgO]$_n$ as a model system, we perform ultraviolet pump/soft x-ray probe experiments, which are sensitive to all constituents of these heterostructures, to probe both electronic and lattice excitations. Complementary ultrafast electron diffraction experiments independently analyze the lattice dynamics of the Fe constituent, and together with ab initio calculations yield comprehensive insight into the microscopic processes leading to local relaxation within a single constituent or nonlocal relaxation between two constituents. Besides electronic excitations in Fe, which are monitored at the Fe L 3 absorption edge and relax within 1 ps by electron-phonon coupling, soft x-ray analysis identifies a change at the oxygen K absorption edge of theMgO layers which occurs within 0.5 ps. This ultrafast energy transfer across the Fe-MgO interface is mediated by high-frequency, interface vibrational modes, which are excited by hot electrons in Fe and couple to vibrations in MgO in a mode-selective, nonthermal manner. A second, slower timescale is identified at the oxygen K pre-edge and the Fe L 3 edge. The slower process represents energy transfer by acoustic phonons and contributes to thermalization of the entire heterostructure. We thus find that the interfacial energy transfer is associated with nonequilibrium behavior in the phonon system. Because our experiments lack signatures of charge transfer across the interface, we conclude that phonon-mediated processes dominate the competition of electronic and lattice excitations in these nonlocal, nonequilibrium dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Microscopic model for the stacking-fault potential and the exciton wave function in GaAs

Two-dimensional stacking fault defects embedded in a bulk crystal can provide a homogeneous trapping potential for carriers and excitons. Here we utilize state-of-the-art structural imaging cou- pled with density functional and effective-mass theory to build a microscopic model of the stacking- fault exciton. The diamagnetic shift and exciton dipole moment at different magnetic fields are calculated and compared with the experimental photoluminescence of excitons bound to a single stacking fault in GaAs. The model is used to further provide insight into the properties of excitons bound to the double-well potential formed by stacking fault pairs. This microscopic exciton model can be used as an input into models which include exciton-exciton interactions to determine the excitonic phases accessible in this system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Microscopic study of the coupled-wire construction and plausible realization in spin-dependent optical lattices

Coupled-wire constructions offer particularly simple and powerful models to capture the essence of strongly correlated topological phases of matter. They often rely on effective theories valid in the low-energy and strong-coupling limits, which impose severe constraints on the physical systems where they could be realized. In this work, we investigate the microscopic relevance of a class of coupled-wire models and their possible experimental realization in cold-atom experiments. We connect with earlier results and prove the emergence of fractional quantum Hall states in the limit of strong interwire tunneling. Contrary to previous studies relying on renormalization group arguments, our microscopic approach exposes the connection between coupled-wire constructions and model wave functions in continuum Landau levels. Then, we use exact-diagonalization methods to investigate the appearance of these fractional quantum Hall states in more realistic settings. We examine the parameter regimes where these strongly correlated phases arise, and provide a way to detect their appearance in cold-atom experiments through standard time-of-flight measurements. Motivated by this experimental probe, we finally propose a realization of our model with cold atoms in spin-dependent optical lattices. Our estimates show that the previous fractional quantum Hall phases lie within experimentally accessible parameter regimes, giving a viable route toward their experimental study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Microscopic characterization of Ising conformal field theory in Rydberg chains

Rydberg chains provide an appealing platform for probing conformal field theories (CFTs) that capture universal behavior in a myriad of physical settings. Focusing on a Rydberg chain at the Ising transition separating charge density wave and disordered phases, we establish a detailed link between microscopics and low-energy physics emerging at criticality. Here, we first construct lattice incarnations of primary fields in the underlying Ising CFT including chiral fermions, a nontrivial task given that the Rydberg chain Hamiltonian does not admit an exact fermionization. With this dictionary in hand, we compute correlations of microscopic Rydberg operators, paying special attention to finite, open chains of immediate experimental relevance. We further develop a method to quantify how second-neighbor Rydberg interactions tune the sign and strength of four-fermion couplings in the Ising CFT. Finally, we determine how the Ising fields evolve when four-fermion couplings drive an instability to Ising tricriticality. Our results pave the way to a thorough experimental characterization of Ising criticality in Rydberg arrays and can inform the design of novel higher-dimensional phases based on coupled critical chains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Microscopic study of the impurity effect in the kagome superconductor La⁢(Ru 1–x ⁢Fe x ) 3 ⁢Si 2

Here, we report on the effect of magnetic impurities on the microscopic superconducting (SC) properties of the kagome-lattice superconductor La⁢(Ru 1–x Fe x ) 3 ⁢Si 2 using muon spin relaxation/rotation. A strong suppression of the superconducting critical temperature T c , the SC volume fraction, and the superfluid density was observed. We further find a correlation between the superfluid density and T c which is considered a hallmark feature of unconventional superconductivity. Most remarkably, measurements of the temperature-dependent magnetic penetration depth λ reveal a change in the low-temperature behavior from exponential saturation to a linear increase, which indicates that Fe doping introduces nodes in the superconducting gap structure at concentrations as low as x=0.015. Our results point to a rare example of unconventional superconductivity in the correlated kagome lattice and accessible tunability of the superconducting gap structure, offering new insights into the microscopic mechanisms involved in superconducting order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

General microscopic model of magnetoelastic coupling from first principles

Magnetoelastic coupling, i.e., the change of crystal lattice induced by a spin order, is not only scientifically interesting, but also technically important. In this work, we propose a general microscopic model from firstprinciples calculations to describe the magnetoelastic coupling and provide a way to construct the microscopic model from density functional theory calculations. Based on this model, we reveal that there exists a previously unexpected contribution to the electric polarization induced by the spin order in multiferroics due to the combined effects of magnetoelastic coupling and piezoelectric effect. Interestingly and surprisingly, we find that this latticedeformation contribution to the polarization is even larger than that from the pure electronic and ion-displacement contributions in BiFeO 3 . We conclude this model of magnetoelastic coupling can be generally applied to investigate the other magnetoelastic phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Improvements to the macroscopic-microscopic approach of nuclear fission

The well-established macroscopic-microscopic (mac-mic) description of nuclear fission enables the prediction of fission-fragment yields for a broad range of fissioning systems. In this work, we present several key enhancements to this approach. We improve upon the microscopic sector of nuclear potential-energy surfaces by magnifying the resolution of the Lipkin-Nogami equations and strengthening the Strutinsky procedure, thus reducing spurious effects from the continuum. We further present a novel deterministic method for calculating fission dynamics under the assumption of strongly damped nucleonic motion. Our technique directly determines the evolution of the scissioned shape distribution according to the number of random-walk steps rather than the statistical accumulation of fission events. We show that our new technique is equivalent to the Metropolis random walk pioneered over the past decade by Randrup and colleagues. It further improves upon it because we remove the need for altering the nuclear landscape via a biased potential. With our final improvement, we calculate fission fragments mass and charge distributions using particle number projection, which affords the simultaneous calculation of both mass- and charge-yield distributions. Fission fragments are thus calculated from the quantum-mechanical A -body states of the potential-energy surface rather than from the collective mass asymmetry variable α g of the finite-range liquid-drop model used in past work. We highlight the success of our enhancements by predicting the odd-even staggering and the charge polarization for the neutron-induced fission of 233 U and 235 U .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Angular momentum of fission fragments from microscopic theory

During nuclear fission, a heavy nucleus splits into two rotating fragments. The associated angular momentum is large, yet the mechanism of its generation and its dependence on the mass of fragments remain poorly understood. In this Letter, we provide the first microscopic calculations of angular-momentum distributions in fission fragments for a wide range of fragment masses. For the benchmark case of 239 Pu(n th ,f), we find that the angular momentum of the fragments is largely determined by the nuclear shell structure and deformation, and that the heavy fragments therefore typically carry less angular momentum than their light partners. We use the fission model freya to simulate the emission of neutrons and photons from the fragments. The dependence of the angular momenta on fragment mass after the emission of neutrons and statistical photons is linear for the heavy fragments and either constant or weakly linear for the light fragments, consistent with the universal sawtooth pattern suggested by recent experimental data. Finally, we observe that using microscopic angular-momentum distributions modifies the number of emitted photons significantly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Microscopic Theory of Fluctuating Hydrodynamics in Nonlinear Lattices

The theory of fluctuating hydrodynamics has been an important tool for analyzing macroscopic behavior in nonlinear lattices. However, despite its practical success, its microscopic derivation is still incomplete. In this work, we provide the microscopic derivation of fluctuating hydrodynamics, using the coarse-graining and projection technique; the equivalence of ensembles turns out to be critical. The Green-Kubo (GK)-like formula for the bare transport coefficients are presented in a numerically computable form. Our numerical simulations show that the bare transport coefficients exist for a sufficiently large but finite coarse-graining length in the infinite lattice within the framework of the GK-like formula. Finally, this demonstrates that the bare transport coefficients uniquely exist for each physical system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Global Microscopic Description of Nucleon-Nucleus Scattering with Quantified Uncertainties

We develop for the first time a microscopic global nucleon-nucleus optical potential with quantified uncertainties suitable for analyzing nuclear reaction experiments at next-generation rare-isotope beam facilities. Within the improved local density approximation and without any adjustable parameters, we begin by computing proton-nucleus and neutron-nucleus optical potentials from a set of five nuclear forces from chiral effective field theory for 1800 target nuclei in the mass range 12 ≤ A ≤ 242 for energies between 0 MeV < E ≲ 150 MeV. We then parameterize a global optical potential for each chiral force that depends smoothly on the projectile energy as well as the target nucleus mass number and isospin asymmetry. Uncertainty bands for elastic scattering observables are generated from a full covariance analysis of the parameters entering in the description of our global optical potential and benchmarked against existing experimental data for stable target nuclei. Since our approach is purely microscopic, we anticipate a similar quality of the model for nucleon scattering on unstable isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

In situ environmental scanning electron microscope observations of colloidal failure mechanisms using the Brazilian disk test

This paper presents data produced using a novel test fixture to study the crack initiation and fracture mechanisms in brittle colloidal systems, in situ in an Environmental Scanning Electron Microscope (ESEM), based on the Brazilian disk test. The test is based on diametral compression loading of a disk of material, which causes a tensile stress in the centre of the disk perpendicular to the loading direction. Key advantages over commercial tensile tests are simplicity of specimen preparation, especially important for fragile and brittle materials, which because of their nature in many cases cannot be microscopically characterised after testing. The test was successful in creating the desired perpendicular tensile stresses and yielded diametral cracks across the latex specimens. It was found that when end crushing was minimal, multiple cracks initiated at several points on the disk and a number of factors appeared to influence the propagation of cracks through the latex, these include: particle packing arrangements, surface defects, and the presence of other cracks. Following the onset of fracture, it was observed that the cracks connected to form a single failure route, here described as the path of least resistance. This, in essence, resulted in the crack taking a route around stronger, more ordered regions of the latex (be they “crystals” or surface defects). The experimental results presented and discussed here represent the first attempt to utilise this loading arrangement in the study of crack propagation in colloidal systems.

42 ENGINEERING↗
DOE OSTI2022

Atomic-resolution lithography with an on-chip scanning tunneling microscope

In this work, atomic-resolution lithography with a Microelectromechanical-System (MEMS) based Scanning Tunneling Microscope (STM) is demonstrated for the first time. The microscope consists of a commercial UltraHigh-Vacuum (UHV) STM whose regular tip is replaced with a 1-Degree-of-Freedom (1-DOF) MEMS nanopositioner. This results in a hybrid STM system where XY-plane motions are provided by the piezotube of the original system and Z-axis motion by the MEMS with a higher bandwidth. Sharp tips made of Pt or W are added to the MEMS devices with postfabrication techniques. With this hybrid system, STM-based lithography is demonstrated on an H-passivated Si (100)-2×1 sample under UHV condition. Results prove the capability of the hybrid STM system for atomic-scale lithography. This capability, paired with the small footprint of the MEMS device, makes this approach a candidate for building a high-throughput parallel STM lithography platform by incorporating an array of 1-DOF MEMS devices that perform lithography in parallel.

Alipour, Afshin (ORCID:0000000263252067)↗
DOE OSTI2014

A broader view on EUV-masks: adding complementary imaging modes to the SHARP microscope

The authors are expanding the capabilities of the SHARP microscope by implementing complementary imaging modes. SHARP (the SEMATECH High-NA Actinic Reticle review Project) is an actinic, synchrotron-based microscope dedicated to extreme ultraviolet (EUV) photomask research. SHARP’s programmable Fourier Synthesis Illuminator and its use of Fresnel zoneplate lenses as imaging optics provide a versatile framework, facilitating the implementation of diverse modes beyond conventional imaging. In addition to SHARP’s set of standard zoneplates, we have created more than 100 zoneplates for complementary imaging modes, all designed to extract additional information from photomasks, improve navigation and enhance defect detection. More than 50 new zoneplates are installed in the tool; the remaining lenses are currently in production. Here in this paper we discuss the design and fabrication of zoneplates for complementary imaging modes and present image data, obtained using Zernike Phase Contrast and different implementations of Differential Interference Contrast.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Upgrade to the SHARP EUV mask microscope

© 2019 SPIE. The Sharp High-NA Actinic Reticle review Project (SHARP) is a synchrotron-based, extreme ultraviolet (EUV) microscope dedicated to photomask research. A potential upgrade to the SHARP microscope is presented. The upgrade includes changing the light path in the instrument from its current off-Axis configuration to an on-Axis configuration. This change allows for an increased working distance of 2.5 mm or more. A central obscuration, added to the zoneplate aperture, blocks stray light from reaching the central part of the image, thus improving the image contrast. The imaging performance of the two configurations is evaluated by means of ray tracing.

Benk, M↗
DOE OSTI2015

WE-EF-BRA-02: A Monte Carlo Study of Macroscopic and Microscopic Dose Descriptors for Kilovoltage Cellular Dosimetry

Purpose: To investigate how doses to cellular (microscopic) targets depend on cell morphology, and how cellular doses relate to doses to bulk tissues and water for 20 to 370 keV photon sources using Monte Carlo (MC) simulations. Methods: Simulation geometries involve cell clusters, single cells, and single nuclear cavities embedded in various healthy and cancerous bulk tissue phantoms. A variety of nucleus and cytoplasm elemental compositions are investigated. Cell and nucleus radii range from 5 to 10 microns and 2 to 9 microns, respectively. Doses to water and bulk tissue cavities are compared to nucleus and cytoplasm doses. Results: Variations in cell dose with simulation geometry are most pronounced for lower energy sources. Nuclear doses are sensitive to the surrounding geometry: the nuclear dose in a multicell model differs from the dose to a cavity of nuclear medium in an otherwise homogeneous bulk tissue phantom by more than 7% at 20 keV. Nuclear doses vary with cell size by up to 20% at 20 keV, with 10% differences persisting up to 90 keV. Bulk tissue and water cavity doses differ from cellular doses by up to 16%. MC results are compared to cavity theory predictions; large and small cavity theories qualitatively predict nuclear doses for energies below and above 50 keV, respectively. Burlin’s (1969) intermediate cavity theory best predicts MC results with an average discrepancy of 4%. Conclusion: Cellular doses vary as a function of source energy, subcellular compartment size, elemental composition, and tissue morphology. Neither water nor bulk tissue is an appropriate surrogate for subcellular targets in radiation dosimetry. The influence of microscopic inhomogeneities in the surrounding environment on the nuclear dose and the importance of the nucleus as a target for radiation-induced cell death emphasizes the potential importance of cellular dosimetry for understanding radiation effects. Funded by the Natural Sciences and Engineering Research Council of Canada (NSERC), the Canada Research Chairs Program (CRC), and the Ontario Ministry of Training, Colleges and Universities.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Measurement with microscopic MRI and simulation of flow in different aneurysm models

Purpose: The impact and the development of aneurysms depend to a significant degree on the exchange of liquid between the regular vessel and the pathological extension. A better understanding of this process will lead to improved prediction capabilities. The aim of the current study was to investigate fluid-exchange in aneurysm models of different complexities by combining microscopic magnetic resonance measurements with numerical simulations. In order to evaluate the accuracy and applicability of these methods, the fluid-exchange process between the unaltered vessel lumen and the aneurysm phantoms was analyzed quantitatively using high spatial resolution. Methods: Magnetic resonance flow imaging was used to visualize fluid-exchange in two different models produced with a 3D printer. One model of an aneurysm was based on histological findings. The flow distribution in the different models was measured on a microscopic scale using time of flight magnetic resonance imaging. The whole experiment was simulated using fast graphics processing unit-based numerical simulations. The obtained simulation results were compared qualitatively and quantitatively with the magnetic resonance imaging measurements, taking into account flow and spin–lattice relaxation. Results: The results of both presented methods compared well for the used aneurysm models and the chosen flow distributions. The results from the fluid-exchange analysis showed comparable characteristics concerning measurement and simulation. Similar symmetry behavior was observed. Based on these results, the amount of fluid-exchange was calculated. Depending on the geometry of the models, 7% to 45% of the liquid was exchanged per second. Conclusions: The result of the numerical simulations coincides well with the experimentally determined velocity field. The rate of fluid-exchange between vessel and aneurysm was well-predicted. Hence, the results obtained by simulation could be validated by the experiment. The observed deviations can be caused by the noise in the measurement and by the limited resolution of the simulation. The resulting differences are small enough to allow reliable predictions of the flow distribution in vessels with stents and for pulsed blood flow.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Sci-Thur AM: YIS – 06: A Monte Carlo study of macro- and microscopic dose descriptors and the microdosimetric spread using detailed cellular models

Purpose: To develop Monte Carlo models of cell clusters to investigate the relationships between macro- and microscopic dose descriptors, quantify the microdosimetric spread in energy deposition for subcellular targets, and determine how these results depend on the computational model. Methods: Microscopic tissue structure is modelled as clusters of 13 to 150 cells, with cell (nuclear) radii between 5 and 10 microns (2 and 9 microns). Energy imparted per unit mass (specific energy or dose) is scored in the nucleus (D{sub nuc}) and cytoplasm (D{sub cyt}) for incident photon energies from 20 to 370 keV. Dose-to-water (D{sub w,m}) and dose-to-medium (D{sub m,m}) are compared to D{sub nuc} and D{sub cyt}. Single cells and single nuclear cavities are also simulated. Results: D{sub nuc} and D{sub cyt} are sensitive to the surrounding environment with deviations of up to 13% for a single nucleus/cell compared with a multicellular cluster. These dose descriptors vary with cell and nucleus size by up to 10%. D{sub nuc} and D{sub cyt} differ from D{sub w,m} and D{sub m,m} by up to 32%. The microdosimetric spread is sensitive to whether cells are arranged randomly or in a hexagonal lattice, and whether subcellular compartment sizes are sampled from a normal distribution or are constant throughout the cluster. Conclusions: D{sub nuc} and D{sub cyt} are sensitive to cell morphology, elemental composition and the presence of surrounding cells. The microdosimetric spread was investigated using realistic elemental compositions for the nucleus and cytoplasm, and depends strongly on subcellular compartment size, source energy and dose.

60 APPLIED LIFE SCIENCES↗