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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Photoinduced nonequilibrium dynamics in charge ordered materials

We report on the nonequilibrium dynamics of photoinduced phase transitions in charge ordered (CO) systems with a strong electron-lattice interaction and analyze the interplay between electrons, periodic lattice distortions, and a phonon thermal reservoir. Simulations based on a tight-binding Hamiltonian and Boltzmann equations reveal partially decoupled oscillations of the electronic order parameter and the periodic lattice distortion during CO melting, which becomes more energy efficient with lower photon energy. The cooling rate of the electron system correlates with the CO gap dynamics, responsible for an order of magnitude decrease in the cooling rate upon the gap reopening. Additionally, we find that the time-dependent frequency of coherent oscillation reflects the dynamics of the energy landscape, such as transition between single-well and double-well, which sensitively depends on the photon energy and the pump fluence. The findings demonstrate the intricate nonequilibrium dynamics in CO materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Magnetic reconnection in the low solar chromosphere with a more realistic radiative cooling model

Magnetic reconnection is the most likely mechanism responsible for the high temperature events that are observed in strongly magnetized locations around the temperature minimum in the low solar chromosphere. This work improves upon our previous work [Ni et al., Astrophys. J. 852, 95 (2018)] by using a more realistic radiative cooling model computed from the OPACITY project and the CHIANTI database. We find that the rate of ionization of the neutral component of the plasma is still faster than recombination within the current sheet region. For low β plasmas, the ionized and neutral fluid flows are well-coupled throughout the reconnection region resembling the single-fluid Sweet-Parker model dynamics. Decoupling of the ion and neutral inflows appears in the higher β case with β 0 =1.46, which leads to a reconnection rate about three times faster than the rate predicted by the Sweet-Parker model. In all cases, the plasma temperature increases with time inside the current sheet, and the maximum value is above 2×10 4 K when the reconnection magnetic field strength is greater than 500 G. While the more realistic radiative cooling model does not result in qualitative changes of the characteristics of magnetic reconnection, it is necessary for studying the variations of the plasma temperature and ionization fraction inside current sheets in strongly magnetized regions of the low solar atmosphere. It is also important for studying energy conversion during the magnetic reconnection process when the hydrogen-dominated plasma approaches full ionization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Generalized parametrization methods for centroid and envelope dynamics of charged particle beams in coupled lattices

For almost 60 years, the well-known Courant-Snyder (CS) theory has been employed as the standard method to describe the uncoupled dynamics of charged particle beams in electromagnetic focusing lattices. Meanwhile, the generalization of the CS theory to coupled dynamics with two or more degrees of freedom has been attempted in numerous directions. The parametrization method developed by Qin and Davidson is particularly noteworthy, because their method enables the treatment of complicated coupled beam dynamics using a remarkably similar mathematical structure to that of the original CS theory. Here in this paper, we revisit the Qin-Davidson parametrization method and extend it to include beam centroid motions. The linear terms in the quadratic Hamiltonian for the coupled dynamics are handled by introducing a special time-dependent canonical transformation. In this manner, we show that the centroid dynamics is decoupled from the envelope dynamics, even for the cases of coupled lattice, and all formulations of the Qin-Davidson method can be applied in a straightforward manner.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

The physical foundation of the reconnection electric field

Magnetic reconnection is a key charged particle transport and energy conversion process in environments ranging from astrophysical systems to laboratory plasmas [Yamada et al., Rev. Mod. Phys. 82, 603–664 (2010)]. Magnetic reconnection facilitates plasma transport by establishing new connections of magnetic flux tubes, and it converts, often explosively, energy stored in the magnetic field to kinetic energy of charged particles [J. L. Burch and J. F. Drake, Am. Sci. 97, 392–299 (2009)]. The intensity of the magnetic reconnection process is measured by the reconnection electric field, which regulates the rate of flux tube connectivity changes. The change of magnetic connectivity occurs in the current layer of the diffusion zone, where the plasma transport is decoupled from the transport of magnetic flux. Here we report on computer simulations and analytic theory to provide a self-consistent understanding of the role of the reconnection electric field, which extends substantially beyond the simple change of magnetic connections. Rather, we find that the reconnection electric field is essential to maintain the current density in the diffusion region, which would otherwise be dissipated by a set of processes. Natural candidates for current dissipation are the average convection of current carriers away from the reconnection region by the outflow of accelerated particles, or the average rotation of the current density by the magnetic field reversal in the vicinity. Instead, we show here that the current dissipation is the result of thermal effects, underlying the statistical interaction of current-carrying particles with the adjacent magnetic field. We find that this interaction serves to redirect the directed acceleration of the reconnection electric field to thermal motion. This thermalization manifests itself in form of quasi-viscous terms in the thermal energy balance of the current layer. This collisionless viscosity, found in the pressure evolution equation, dominates near the x-line. These quasi-viscous terms act to increase the average thermal energy. Our predictions regarding current and thermal energy balance are readily amenable to exploration in the laboratory or by satellite missions, in particular, by NASA's Magnetospheric Multiscale mission.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Infrared imaging systems for wall protection in the W7-X stellarator (invited)

Here, Wendelstein 7-X aims at quasi-steady state operation with up to 10 MW of heating power for 30 min. Power exhaust will be handled predominantly via 10 actively water cooled CFC (carbon-fiber-reinforced carbon) based divertor units designed to withstand power loads of 10 MW/m 2 locally in steady state. If local loads exceed this value, a risk of local delamination of the CFC and failure of entire divertor modules arises. Infrared endoscopes to monitor all main plasma facing components are being prepared, and near real time software tools are under development to identify areas of excessive temperature rise, to distinguish them from non-critical events, and to trigger alarms. Tests with different cameras were made in the recent campaign. Long pulse operation enforces additional diagnostic design constraints: for example, the optics need to be thermally decoupled from the endoscope housing. In the upcoming experimental campaign, a graphite scraper element, in front of the island divertor throat, will be tested as a possible means to protect the divertor pumping gap edges during the transient discharge evolution.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Theory of the spatial transfer of interface-nucleated changes of dynamical constraints and its consequences in glass-forming films

We formulate a new theory for how caging constraints in glass-forming liquids at a surface or interface are modified and then spatially transferred, in a layer-by-layer bootstrapped manner, into the film interior in the context of the dynamic free energy concept of the Nonlinear Langevin Equation (NLE) theory approach. The dynamic free energy at any mean location (cage center) involves contributions from two adjacent layers where confining forces are not the same. At the most fundamental level of the theory, the caging component of the dynamic free energy varies essentially exponentially with distance from the interface, saturating deep enough into the film with a correlation length of modest size and weak sensitivity to the thermodynamic state. This imparts a roughly exponential spatial variation of all the key features of the dynamic free energy required to compute gradients of dynamical quantities including the localization length, jump distance, cage barrier, collective elastic barrier, and alpha relaxation time. The spatial gradients are entirely of dynamical, not structural or thermodynamic, origin. The theory is implemented for the hard sphere fluid and diverse interfaces which can be a vapor, a rough pinned particle solid, a vibrating (softened) pinned particle solid, or a smooth hard wall. Their basic description at the level of the spatially heterogeneous dynamic free energy is identical, with the crucial difference arising from the first layer where dynamical constraints can be weakened, softened, or hardly changed depending on the specific interface. Numerical calculations establish the spatial dependence and fluid volume fraction sensitivity of the key dynamical property gradients for five different model interfaces. A comparison of the theoretical predictions for the dynamic localization length and glassy modulus with simulations and experiments for systems with a vapor interface reveals good agreement. Finally, the present advance sets the stage for using the Elastically Collective NLE theory to make quantitative predictions for the alpha relaxation time gradient, decoupling phenomena, T g gradient, and many film-averaged properties of both model and experimental (colloids, molecules, and polymers) systems with diverse interfaces and chemical makeup.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Flying focus: Spatial and temporal control of intensity for laser-based applications

An advanced focusing scheme, called a "flying focus," uses a chromatic focusing system combined with a broadband laser pulse with its colors arranged in time to propagate a high intensity focus over a distance that can be much greater than its Rayleigh length, while decoupling the speed at which the peak intensity propagates from its group velocity. The flying focus generates a short effective pulse duration with a small diameter focal spot that co- or counter-propagates along the optical axis at any velocity. Experiments validating the concept measured subluminal (–0.09c) to superluminal (39c) focal spot velocities with a nearly constant peak intensity over 4.5 mm. Experiments that increased the peak intensity above the ionization threshold for gas demonstrated ionization waves propagating at the velocity of the flying focus. Here these ionization waves of any velocity overcome several laser-plasma propagation issues, including ionization-induced refraction. The flying focus presents opportunities to overcome current fundamental limitations in laser-plasma amplifilers, laser wakefield accelerators, photon accelerators, and high-order frequency conversion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Origin of enhanced anisotropy in FePt-C granular films revealed by XMCD

We study the effect of carbon segregants on the spin and orbital moments of L 1 0 FePt granular media using x-ray magnetic circular dichroism (XMCD) spectroscopy and report an effective decoupling of the structural film properties from the magnetic parameters of the grains. The carbon concentration reduces the grain size from (200 ± 160) nm 2 down to (50 ± 20) nm 2 for 40 mol. %C and improves sphericity and the order of grains, while preserving the crystalline order, spin and orbital moments, and perpendicular magnetocrystalline anisotropy. Here, we identify the primary cause of enhanced saturation and coercive fields as the reduced demagnetization fields of individual grains. The ability to shrink grains without impairing their magnetic properties is a critical requirement for the commercialization of Heat-Assisted Magnetic Recording.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Stochastic resolution of identity second-order Matsubara Green’s function theory

We create a stochastic resolution of identity representation to the second-order Matsubara Green’s function (sRI-GF2) theory. Using a stochastic resolution of the Coulomb integrals, the second order Born self-energy in GF2 is decoupled and reduced to matrix products/ contractions, which reduces the computational cost from O(N 5 ) to O(N 3 ) (with N being the number of atomic orbitals). Currently, the method can be viewed as an extension to our previous work on stochastic resolution of identity second order Møller-Plesset perturbation theory [T. Y. Takeshita et al., J. Chem. Theory Comput. 13, 4605 (2017)] and offers an alternative to previous stochastic GF2 formulations [D. Neuhauser et al., J. Chem. Theory Comput. 13, 5396 (2017)]. We show that sRI-GF2 recovers the deterministic GF2 results for small systems, is computationally faster than deterministic GF2 for N > 80, and is a practical approach to describe weak correlations in systems with 10 3 electrons and more.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Structure and dynamics of short-chain polymerized ionic liquids

Combining experimental results obtained with X-ray scattering and field-gradient nuclear magnetic resonance (NMR) and an assessment of new and previous dielectric and rheology data, our study focuses on the molecular weight (M w ) evolution of local structure and dynamics in a homologous series of covalently bonded ionic liquids. Performed on a family of electrolytes with a tailored degree of ionic decoupling, this study reveals the differences between monomeric and oligomeric melts with respect to their structural organization, mass and charge transport, and molecular diffusion. Our work demonstrates that for the monomeric compound, the broadband conductivity and mechanical spectra reflect the same underlying distribution of activation barriers and that the Random Barrier Model describes fairly well both the ionic and structural relaxation processes in these materials. Moreover, the oligomers with chains comprising ten segments only exhibit both structural and dynamical fingerprints of a genuine polymer. A comparison of conductivity levels estimated using the self-diffusion coefficients probed via NMR and those probed directly with dielectric spectroscopy reflects the emerging of ion correlations which are affecting the macroscopic charge transport in these materials in a chain-length dependent manner.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Electrostatic subframing and compressive-sensing video in transmission electron microscopy

We present kilohertz-scale video capture rates in a transmission electron microscope, using a camera normally limited to hertz-scale acquisition. An electrostatic deflector rasters a discrete array of images over a large camera, decoupling the acquisition time per subframe from the camera readout time. Total-variation regularization allows features in overlapping subframes to be correctly placed in each frame. Moreover, the system can be operated in a compressive-sensing video mode, whereby the deflections are performed in a known pseudorandom sequence. Compressive sensing in effect performs data compression before the readout, such that the video resulting from the reconstruction can have substantially more total pixels than that were read from the camera. This allows, for example, 100 frames of video to be encoded and reconstructed using only 15 captured subframes in a single camera exposure. We demonstrate experimental tests including laser-driven melting/dewetting, sintering, and grain coarsening of nanostructured gold, with reconstructed video rates up to 10 kHz. The results exemplify the power of the technique by showing that it can be used to study the fundamentally different temporal behavior for the three different physical processes. Both sintering and coarsening exhibited self-limiting behavior, whereby the process essentially stopped even while the heating laser continued to strike the material. We attribute this to changes in laser absorption and to processes inherent to thin-film coarsening. In contrast, the dewetting proceeded at a relatively uniform rate after an initial incubation time consistent with the establishment of a steady-state temperature profile.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Progress towards a phenomenological picture and theoretical understanding of glassy dynamics and vitrification near interfaces and under nanoconfinement

The nature of alterations to dynamics and vitrification in the nanoscale vicinity of interfaces-commonly referred to as "nanoconfinement" effects on the glass transition-has been an open question for a quarter century. We first analyze experimental and simulation results over the last decade to construct an overall phenomenological picture. Key features include the following: after a metrology- and chemistry-dependent onset, near-interface relaxation times obey a fractional power law decoupling relation with bulk relaxation; relaxation times vary in a double-exponential manner with distance from the interface, with an intrinsic dynamical length scale appearing to saturate at low temperatures; the activation barrier and vitrification temperature T-g approach bulk behavior in a spatially exponential manner; and all these behaviors depend quantitatively on the nature of the interface. We demonstrate that the thickness dependence of film-averaged T-g for individual systems provides a poor basis for discrimination between different theories, and thus we assess their merits based on the above dynamical gradient properties. Entropy-based theories appear to exhibit significant inconsistencies with the phenomenology. Diverse free-volume-motivated theories vary in their agreement with observations, with approaches invoking cooperative motion exhibiting the most promise. The elastically cooperative nonlinear Langevin equation theory appears to capture the largest portion of the phenomenology, although important aspects remain to be addressed. A full theoretical understanding requires improved confrontation with simulations and experiments that probe spatially heterogeneous dynamics within the accessible 1-ps to 1-year time window, minimal use of adjustable parameters, and recognition of the rich quantitative dependence on chemistry and interface. Published under license by AIP Publishing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Stochastic equation of motion approach to fermionic dissipative dynamics. I. Formalism

In this work, we establish formally exact stochastic equation of motion (SEOM) theory to describe the dissipative dynamics of fermionic open systems. The construction of the SEOM is based on a stochastic decoupling of the dissipative interaction between the system and fermionic environment, and the influence of environmental fluctuations on the reduced system dynamics is characterized by stochastic Grassmann fields. Meanwhile, numerical realization of the time-dependent Grassmann fields has remained a long-standing challenge. To solve this problem, we propose a minimal auxiliary space (MAS) mapping scheme with which the stochastic Grassmann fields are represented by conventional c-number fields along with a set of pseudo-levels. This eventually leads to a numerically feasible MAS-SEOM method. The important properties of the MAS-SEOM are analyzed by making connection to the well-established time-dependent perturbation theory and the hierarchical equations of motion theory. The MAS-SEOM method provides a potentially promising approach for the accurate and efficient simulation of fermionic open systems at ultra-low temperatures.

Han, Lu (ORCID:0000000339002225)↗
DOE OSTI2021

Intermediate scattering functions of a rigid body monoclonal antibody protein in solution studied by dissipative particle dynamic simulation

In the past decade, there was increased research interest in studying internal motions of flexible proteins in solution using Neutron Spin Echo (NSE) as NSE can simultaneously probe the dynamics at the length and time scales comparable to protein domain motions. However, the collective intermediate scattering function (ISF) measured by NSE has the contributions from translational, rotational, and internal motions, which are rather complicated to be separated. Widely used NSE theories to interpret experimental data usually assume that the translational and rotational motions of a rigid particle are decoupled and independent to each other. To evaluate the accuracy of this approximation for monoclonal antibody (mAb) proteins in solution, dissipative particle dynamic computer simulation is used here to simulate a rigid-body mAb for up to about 200 ns. The total ISF together with the ISFs due to only the translational and rotational motions as well as their corresponding effective diffusion coefficients is calculated. The aforementioned approximation introduces appreciable errors to the calculated effective diffusion coefficients and the ISFs. For the effective diffusion coefficient, the error introduced by this approximation can be as large as about 10% even though the overall agreement is considered reasonable. Thus, we need to be cautious when interpreting the data with a small signal change. In addition, the accuracy of the calculated ISFs due to the finite computer simulation time is also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Plasma temperature measurement with a silicon photomultiplier (SiPM)

The temperature of a nonneutral plasma confined in a Penning–Malmberg trap can be determined by slowly lowering one side of the trap’s electrostatic axial confinement barrier; the temperature is inferred from the rate at which particles escape the trap as a function of the barrier height. In many experiments, the escaping particles are directed toward a microchannel plate, and the resulting amplified charge is collected on a phosphor screen. The screen is used for imaging the plasma but can also be used as a Faraday cup (FC) for a temperature measurement. The sensitivity limit is then set by microphonic noise enhanced by the screen’s high-voltage bias. Alternately, a silicon photomultiplier (SiPM) can be employed to measure the charge via the light emitted from the phosphor screen. This decouples the signal from the microphonic noise and allows the temperature of colder and smaller plasmas to be measured than could be measured previously; this paper focuses on the advantages of a SiPM over a FC.

Hunter, E. D. (ORCID:0000000236242840)↗
DOE OSTI2020

Parallel high-frequency magnetic sensing with an array of flux transformers and multi-channel optically pumped magnetometer for hand MRI application

Here, we investigate an approach for parallel high-frequency magnetic sensing based on a multi-channel radio frequency (RF) optically pumped magnetometer (OPM) coupled to multiple flux transformers (FTs) with a focus on hand magnetic resonance imaging (MRI) application at ultra-low field (ULF). Multiple RF OPM sensing channels are realized by using a single large-area alkali-metal vapor cell and two laser beams for pumping and probing, shared for all the channels. This design leads to significant cost reduction when multi-channel sensing is desirable, as in the case of ULF MRI. The FT, composed of two connected coils, serves as a transmitter of a target magnetic field to the OPM, while decoupling the OPM from untargeted magnetic fields in the sensing area that can limit the OPM performance. For hand MRI application, theoretical and numerical analysis is performed to determine an optimal geometry for the FT array that could improve signal-to-noise ratio (SNR) and sufficiently reduce crosstalk between FTs. We estimate that the optimized multi-channel FT-OPM sensor can achieve a magnetic field sensitivity of the order of 1 fT / Hz 1 / 2 above 100 kHz, which would be sufficient for 1 mm resolution MRI. In general, the multi-channel capability enables simultaneous magnetic measurements, thus reducing the sensing time and improving the SNR, and we anticipate many applications of the multi-channel FT-OPM sensor beyond the targeted here hand MRI: anatomical parallel ULF MRI of the human brain and other parts of the body, airport security screening, magnetic material imaging, and many others.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Finite temperature auxiliary field quantum Monte Carlo in the canonical ensemble

Finite temperature auxiliary field-based quantum Monte Carlo methods, including determinant quantum Monte Carlo and Auxiliary Field Quantum Monte Carlo (AFQMC), have historically assumed pivotal roles in the investigation of the finite temperature phase diagrams of a wide variety of multidimensional lattice models and materials. Despite their utility, however, these techniques are typically formulated in the grand canonical ensemble, which makes them difficult to apply to condensates such as superfluids and difficult to benchmark against alternative methods that are formulated in the canonical ensemble. Working in the grand canonical ensemble is furthermore accompanied by the increased overhead associated with having to determine the chemical potentials that produce desired fillings. Given this backdrop, in this work, we present a new recursive approach for performing AFQMC simulations in the canonical ensemble that does not require knowledge of chemical potentials. To derive this approach, we exploit the convenient fact that AFQMC solves the many-body problem by decoupling many-body propagators into integrals over one-body problems to which non-interacting theories can be applied. We benchmark the accuracy of our technique on illustrative Bose and Fermi–Hubbard models and demonstrate that it can converge more quickly to the ground state than grand canonical AFQMC simulations. We believe that our novel use of HS-transformed operators to implement algorithms originally derived for non-interacting systems will motivate the development of a variety of other methods and anticipate that our technique will enable direct performance comparisons against other many-body approaches formulated in the canonical ensemble.

Shen, Tong (ORCID:0000000206292468)↗
DOE OSTI2021

Kinematics of femtosecond laser-generated plasma expansion: Determination of sub-micron density gradient and collisionality evolution of over-critical laser plasmas

An optical diagnostic based on resonant absorption of laser light in a plasma is introduced and is used for the determination of density scale lengths in the range of 10 nm to >1 μm at the critical surface of an overdense plasma. This diagnostic is also used to extract the plasma collisional frequency, allowing inference of the temporally evolving plasma composition on the tens of femtosecond timescale. This is found to be characterized by two eras: the early time and short scale length expansion (L < 0.1λ), where the interaction is highly collisional and target material dependent, followed by a period of material independent plasma expansion for longer scale lengths (L > 0.1λ); this is consistent with a hydrogen plasma decoupling from the bulk target material. Density gradients and plasma parameters on this scale are of importance to plasma mirror optical performance and comment is made on this theme.

Scott, G. G. (ORCID:000000032772372X)↗