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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Nanocluster building blocks of artificial square spin ice: Stray-field studies of thermal dynamics

We present measurements of the thermal dynamics of a Co-based single building block of an artificial square spin ice fabricated by focused electron-beam-induced deposition. We employ micro-Hall magnetometry, an ultra-sensitive tool to study the stray field emanating from magnetic nanostructures, as a new technique to access the dynamical properties during the magnetization reversal of the spin-ice nanocluster. The obtained hysteresis loop exhibits distinct steps, displaying a reduction of their “coercive field” with increasing temperature. Therefore, thermally unstable states could be repetitively prepared by relatively simple temperature and field protocols allowing one to investigate the statistics of their switching behavior within experimentally accessible timescales. For a selected switching event, we find a strong reduction of the so-prepared states' “survival time” with increasing temperature and magnetic field. Besides the possibility to control the lifetime of selected switching events at will, we find evidence for a more complex behavior caused by the special spin ice arrangement of the macrospins, i.e., that the magnetic reversal statistically follows distinct “paths” most likely driven by thermal perturbation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Vibronic coupling explains the ultrafast carotenoid-to-bacteriochlorophyll energy transfer in natural and artificial light harvesters

The initial energy transfer steps in photosynthesis occur on ultrafast timescales. We analyze the carotenoid to bacteriochlorophyll energy transfer in LH2 Marichromatium purpuratum as well as in an artificial light-harvesting dyad system by using transient grating and two-dimensional electronic spectroscopy with 10 fs time resolution. We find that Förster-type models reproduce the experimentally observed 60 fs transfer times, but overestimate coupling constants, which lead to a disagreement with both linear absorption and electronic 2D-spectra. We show that a vibronic model, which treats carotenoid vibrations on both electronic ground and excited states as part of the system’s Hamiltonian, reproduces all measured quantities. Importantly, the vibronic model presented here can explain the fast energy transfer rates with only moderate coupling constants, which are in agreement with structure based calculations. Counterintuitively, the vibrational levels on the carotenoid electronic ground state play the central role in the excited state population transfer to bacteriochlorophyll; resonance between the donor-acceptor energy gap and the vibrational ground state energies is the physical basis of the ultrafast energy transfer rates in these systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Electroelastic fields in artificially created vortex cores in epitaxial BiFeO 3 thin films

Here we employ phase-field modeling to explore the elastic properties of artificially created 1-D domain walls in (001) p -oriented BiFeO 3 thin films, composed of a junction of the four polarization variants, all with the same out-of-plane polarization. It was found that these junctions exhibit peculiarly high electroelastic fields induced by the neighboring ferroelastic/ferroelectric domains. The vortex core exhibits a volume expansion, while the anti-vortex core is more compressive. We also discuss possible ways to control the electroelastic field, such as varying material constant and applying transverse electric field.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Low field domain wall dynamics in artificial spin-ice basis structure

Artificial magnetic spin-ice nanostructures provide an ideal platform for the observation of magnetic monopoles. The formation of a magnetic monopole is governed by the motion of a magnetic charge carrier via the propagation of domain walls (DWs) in a lattice. To date, most experiments have been on the static visualization of DW propagation in the lattice. In this paper, we report on the low field dynamics of DW in a unit spin-ice structure measured by magnetoresistance changes. Our results show that reversible DW propagation can be initiated within the spin-ice basis. The initial magnetization configuration of the unit structure strongly influences the direction of DW motion in the branches. Single or multiple domain wall nucleation can be induced in the respective branches of the unit spin ice by the direction of the applied field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Note: Expanding the bandwidth of the ultra-low current amplifier using an artificial negative capacitor

The bandwidth and low noise characteristics are often contradictory in ultra-low current amplifier, because an inevitable parasitic capacitance is paralleled with the high value feedback resistor. In order to expand the amplifier’s bandwidth, a novel approach was proposed by introducing an artificial negative capacitor to cancel the parasitic capacitance. The theory of the negative capacitance and the performance of the improved amplifier circuit with the negative capacitor are presented in this manuscript. The test was conducted by modifying an ultra-low current amplifier with a trans-impedance gain of 50 GΩ. The results show that the maximum bandwidth was expanded from 18.7 Hz to 3.3 kHz with more than 150 times of increase when the parasitic capacitance (∼0.17 pF) was cancelled. Meanwhile, the rise time decreased from 18.7 ms to 0.26 ms with no overshot. Any desired bandwidth or rise time within these ranges can be obtained by adjusting the ratio of cancellation of the parasitic and negative capacitance. This approach is especially suitable for the demand of rapid response to weak current, such as transient ion-beam detector, mass spectrometry analysis, and fast scanning microscope.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Fouling resistance prediction using artificial neural network nonlinear auto-regressive with exogenous input model based on operating conditions and fluid properties correlations

Fouling in a heat exchanger in Crude Preheat Train (CPT) refinery is an unsolved problem that reduces the plant efficiency, increases fuel consumption and CO{sub 2} emission. The fouling resistance behavior is very complex. It is difficult to develop a model using first principle equation to predict the fouling resistance due to different operating conditions and different crude blends. In this paper, Artificial Neural Networks (ANN) MultiLayer Perceptron (MLP) with input structure using Nonlinear Auto-Regressive with eXogenous (NARX) is utilized to build the fouling resistance model in shell and tube heat exchanger (STHX). The input data of the model are flow rates and temperatures of the streams of the heat exchanger, physical properties of product and crude blend data. This model serves as a predicting tool to optimize operating conditions and preventive maintenance of STHX. The results show that the model can capture the complexity of fouling characteristics in heat exchanger due to thermodynamic conditions and variations in crude oil properties (blends). It was found that the Root Mean Square Error (RMSE) are suitable to capture the nonlinearity and complexity of the STHX fouling resistance during phases of training and validation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Experimental and theoretical investigation of the magnetization dynamics of an artificial square spin ice cluster

We study the magnetization dynamics of a spin ice cluster which is a building block of an artificial square spin ice fabricated by focused electron-beam-induced deposition both experimentally and theoretically. The spin ice cluster is composed of twelve interacting Co nanoislands grown directly on top of a high-resolution micro-Hall sensor. By employing micromagnetic simulations and a macrospin model, we calculate the magnetization and the experimentally investigated stray field emanating from a single nanoisland. The parameters determined from a comparison with the experimental hysteresis loop are used to derive an effective single-dipole macrospin model that allows us to investigate the dynamics of the spin ice cluster. Our model reproduces the experimentally observed non-deterministic sequences in the magnetization curves as well as the distinct temperature dependence of the hysteresis loop.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Observation of electron states of small period artificial graphene in nano-patterned GaAs quantum wells

Engineered honeycomb lattices, called artificial graphene (AG), are tunable platforms for the study of novel electronic states related to Dirac physics. Here in this work, we report the achievement of electronic bands of the honeycomb topology with the period as low as 40 nm on the nano-patterned modulation-doped AlGaAs/GaAs quantum wells. Resonant inelastic light scattering spectra reveal peaks which are interpreted as combined electronic transitions between subbands of the quantum well confinement with a change in the AG band index. Spectra lineshapes are explained by joint density of states obtained from the calculated AG electron band structures. These results provide a basis for further advancements in AG physics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Broadband parametric amplifiers based on nonlinear kinetic inductance artificial transmission lines

Here, we present broadband parametric amplifiers based on the kinetic inductance of superconducting NbTiN thin films in an artificial (lumped-element) transmission line architecture. We demonstrate two amplifier designs implementing different phase matching techniques: periodic impedance loading and resonator phase shifters placed periodically along the transmission line. Our design offers several advantages over previous CPW-based amplifiers, including intrinsic 50 Ω characteristic impedance, natural suppression of higher pump harmonics, lower required pump power, and shorter total trace length. Experimental realizations of both versions of the amplifiers are demonstrated. In conclusion, with a transmission line length of 20 cm, we have achieved gains of 15 dB over several GHz of bandwidth.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Temperature dependence of nuclear quantum effects on liquid water via artificial neural network model based on SCAN meta-GGA functional

We investigate the temperature dependence of nuclear quantum effects (NQEs) on structural and dynamic properties of liquid water by training a neural network force field using first-principles molecular dynamics (FPMD) based on the strongly constrained and appropriately normed meta-generalized gradient approximation exchange-correlation approximation. The FPMD simulation based on density functional theory has become a powerful computational approach for studying a wide range of condensed phase systems. However, its large computational cost makes it difficult to incorporate NQEs in the simulation and investigate temperature dependence of various properties. To circumvent this difficulty, we use an artificial neural network model and employ the thermostatted ring polymer MD approach for studying the temperature dependence of NQEs on various properties. The NQEs generally bring the radial distribution functions closer to the experimental measurements. Translational diffusivity and rotational dynamics of water molecules are both slowed down by the NQEs. The competing inter-molecular and intra-molecular quantum effects on hydrogen bonds, as discussed by Habershon, Markland, and Manolopoulos [J. Chem. Phys. 131(2), 024501 (2019)], can explain the observed temperature dependence of the NQEs on the dynamical properties in our simulation.

Yao, Yi (ORCID:0000000299576979)↗
DOE OSTI2021

Observation of mode splitting in artificial spin ice: A comparative ferromagnetic resonance and Brillouin light scattering study

We report the dependence of the magnetization dynamics in a square artificial spin-ice lattice on the in-plane magnetic field angle. Using two complementary measurement techniques—broadband ferromagnetic resonance and micro-focused Brillouin light scattering spectroscopy—we systematically study the evolution of the lattice dynamics, for both a coherent radio frequency excitation and an incoherent thermal excitation of spin dynamics. We observe a splitting of modes facilitated by inter-element interactions that can be controlled by the external field angle and magnitude. Detailed time-dependent micromagnetic simulations reveal that the split modes are localized in different regions of the square network. Furthermore, this observation suggests that it is possible to disentangle modes with different spatial profiles by tuning the external field configuration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Vortex Ordering and Dynamics of Santa Fe Artificial Ice Pinning Arrays

We numerically examine the ordering, pinning, and flow of superconducting vortices interacting with a Santa Fe artificial ice pinning array. We find that as a function of magnetic field and pinning density, a wide variety of vortex states occur, including ice rule obeying states and labyrinthine patterns. In contrast to square pinning arrays, we find no sharp peaks in the critical current due to the inherent frustration effect imposed by the Santa Fe ice geometry; however, there are some smoothed peaks when the number of vortices matches the number of pinning sites. For some fillings, the Santa Fe array exhibits stronger pinning than the square array due to the suppression of one-dimensional flow channels when the vortex motion in the Santa Fe lattice occurs through the formation of both longitudinal and transverse flow channels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Dynamic coupling and spin-wave dispersions in a magnetic hybrid system made of an artificial spin-ice structure and an extended NiFe underlayer

We present a combined experimental and numerical study of the spin-wave dispersion in a NiFe artificial spin-ice (ASI) system consisting of an array of stadium-shaped nanoislands deposited on the top of a continuous NiFe film with non-magnetic spacer layers of varying thickness. The spin-wave dispersion, measured by wavevector resolved Brillouin light scattering spectroscopy in the Damon–Eshbach configuration, consists of a rich number of modes, with either stationary or propagating character. We find that the lowest frequency mode displays a bandwidth of ~0.5 GHz, which is independent of the presence of the film underneath. On the contrary, the Brillouin light scattering intensity of some of the detected modes strongly depends on the presence of the extended thin-film underlayer. Micromagnetic simulations unveil the details of the dynamic coupling between the ASI lattice and film underlayer. Interestingly, the ASI lattice facilitates dynamics of the film either specific wavelengths or intensity modulation peculiar to the modes of the ASI elements imprinted in the film. Our results demonstrate that propagating spin waves can be modulated at the nanometer length scale by harnessing the dynamic mode coupling in the vertical, i.e., the out-of-plane direction of suitably designed magnonic structures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Brillouin light scattering study of the spin-wave magnetic field dependence in a magnetic hybrid system made of an artificial spin-ice structure and a film underlayer

We present a combined Brillouin light scattering (BLS) and micromagnetic simulation investigation of the magnetic-field-dependent spin-wave spectra in a hybrid structure made of permalloy (NiFe) artificial spin-ice (ASI) systems, composed of stadium-shaped nanoislands, deposited on the top of an unpatterned permalloy film with a nonmagnetic spacer layer. The thermal spin-wave spectra were recorded by BLS as a function of the magnetic field applied along the symmetry direction of the ASI sample. Magneto-optic Kerr effect magnetometry was used to measure the hysteresis loops in the same orientation as the BLS measurements. Here, the frequency and the intensity of several spin-wave modes detected by BLS were measured as a function of the applied magnetic field. Micromagnetic simulations enabled us to identify the modes in terms of their frequency and spatial symmetry and to extract information about the existence and strength of the dynamic coupling, relevant only to a few modes of a given hybrid system. Using this approach, we suggest a way to understand if the dynamic coupling between ASI and film modes is present or not, with interesting implications for the development of future three-dimensional magnonic applications and devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Investigating shock-induced chemical reactions in Ni+Al multilayers: A continuum-based mesoscale approach with Arrhenius kinetics and artificial thermal conduction

A new continuum-based mesoscale modeling approach for shock-induced chemical reactions (SICRs) in Ni+Al multilayers is demonstrated in Sandia’s shock physics hydrocode, CTH. The approach utilizes Arrhenius-type kinetics and artificial thermal conduction. Our work builds upon previous efforts to parameterize equations of state for Ni x Al y [J. Appl. Phys. 137, 075102 (2025)], as well as simulations of inert shocks in realistic 2D microstructures [J. Appl. Phys. 137, 225301 (2025)]. To calibrate the reaction kinetics, pairs of the reaction coordinate, R′, vs time are extracted from the molecular dynamics (MD) literature. Here, the MD-informed kinetics are used to simulate the dynamic evolution of pressure and temperature in 2D mesoscale simulations. Overall, the MD-informed kinetics obtained for planar interfaces are too slow, as initial reaction is not observed on a nanosecond time scale. Even with quasi-periodic shock focusing leading to the formation of so-called “hot-spots,” the hot spots are unable to grow and coalesce using the fitted Arrhenius rate constants. However, by increasing the rate constants by two orders of magnitude, SICRs are observed at a shock pressure near 30 GPa, which is supported by experiments. Consequently, these mesoscale simulations suggest that unresolved shear-based mechanical mixing might possibly account for the discrepancies in kinetic rates, with shock-generated intense perturbations, interfacial vortical flows, and elevated temperatures serving as favorable reaction conditions. Future work will calibrate a shear-dependent reaction rate from the MD simulations with realistic interfaces that are wavy, diffuse, and disordered.

Kittell, David E. [Sandia National Laboratories (S↗
DOE OSTI2021

Artificial intelligence velocimetry and microaneurysm-on-a-chip for three-dimensional analysis of blood flow in physiology and disease

Significance Microfluidics is an important in vitro platform to gain insights into mechanics of blood flow and mechanisms of pathophysiology of human diseases. Extraction of 3D fields in microfluidics with dense cell suspensions remains a formidable challenge. We present artificial-intelligence velocimetry (AIV) as a general platform to determine 3D flow fields and a microaneurysm-on-a-chip to simulate blood flow in microaneurysms in patients with diabetic retinopathy. AIV is built on physics-informed neural networks that integrate seamlessly 2D images from microfluidic experiments or in vivo observations with physical laws to estimate full 3D velocity and stress fields. AIV could be integrated into imaging technologies to automatically infer key hemodynamic metrics from in vivo and in vitro biomedical images.

42 ENGINEERING↗
DOE OSTI2023

Roses in the nonperturbative current response of artificial crystals

In two-dimensional artificial crystals with large real-space periodicity, the nonlinear current response to a large applied electric field can feature a strong angular dependence, which encodes information about the band dispersion and Berry curvature of isolated electronic Bloch minibands. Within the relaxation-time approximation, we obtain analytic expressions up to infinite order in the driving field for the current in a band-projected theory with time-reversal and trigonal symmetry. For a fixed field strength, the dependence of the current on the direction of the applied field is given by rose curves whose petal structure is symmetry constrained and is obtained from an expansion in real-space translation vectors. We illustrate our theory with calculations on periodically buckled graphene and twisted double bilayer graphene, wherein the discussed physics can be accessed at experimentally relevant field strengths.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Structure-driven development of a biomimetic rare earth artificial metalloprotein

The 2011 discovery of the first rare earth–dependent enzyme in methylotrophic Methylobacterium extorquens AM1 prompted intensive research toward understanding the unique chemistry at play in these systems. This enzyme, an alcohol dehydrogenase (ADH), features a La 3+ ion closely associated with redox-active coenzyme pyrroloquinoline quinone (PQQ) and is structurally homologous to the Ca 2+ -dependent ADH from the same organism. AM1 also produces a periplasmic PQQ-binding protein, PqqT, which we have now structurally characterized to 1.46-Å resolution by X-ray diffraction. This crystal structure reveals a Lys residue hydrogen-bonded to PQQ at the site analogously occupied by a Lewis acidic cation in ADH. Accordingly, we prepared K 142 A- and K 142 D-PqqT variants to assess the relevance of this site toward metal binding. Isothermal titration calorimetry experiments and titrations monitored by UV–Vis absorption and emission spectroscopies support that K 142 D-PqqT binds tightly (Kd = 0.6 ± 0.2 μM) to La 3+ in the presence of bound PQQ and produces spectral signatures consistent with those of ADH enzymes. These spectral signatures are not observed for WT- or K 142 A-variants or upon addition of Ca 2+ to PQQ ⸦ K 142 D-PqqT. Addition of benzyl alcohol to La 3+ -bound PQQ ⸦ K 142 D-PqqT (but not Ca 2+ -bound PQQ ⸦ K 142 D-PqqT, or La 3+ -bound PQQ ⸦ WT-PqqT) produces spectroscopic changes associated with PQQ reduction, and chemical trapping experiments reveal the production of benzaldehyde, supporting ADH activity. By creating a metal binding site that mimics native ADH enzymes, we present a rare earth-dependent artificial metalloenzyme primed for future mechanistic, biocatalytic, and biosensing applications.

Science & Technology - Other Topics↗