Highly Tunable Magnetic Phases in Transition-Metal Dichalcogenide Fe 1 / 3 + δ NbS 2
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2-dimensional systems↗
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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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Thermal coupled cluster theory for SU(2) systems
Coupled cluster (CC) has established itself as a powerful theory to study correlated quantum many-body systems. Finite-temperature generalizations of CC theory have attracted considerable interest and have been shown to work as nicely as the ground-state theory. However, most of these recent developments address only fermionic or bosonic systems. The distinct structure of the su(2) algebra requires the development of a similar thermal CC theory for spin degrees of freedom. In this paper, we provide a formulation of our thermofield-inspired thermal CC for SU(2) systems. Here, we apply the thermal CC to the Lipkin-Meshkov-Glick system as well as the one-dimensional transverse field Ising model as benchmark applications to highlight the accuracy of thermal CC in the study of finite-temperature phase diagrams in SU(2) systems.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Detecting depinning and nonequilibrium transitions with unsupervised machine learning
Using numerical simulations of a model disk system, we demonstrate that a machine learning generated order-parameter-like measure can detect depinning transitions and different dynamic flow phases in systems driven far from equilibrium. Furthermore, we specifically consider monodisperse passive disks with short range interactions undergoing a depinning phase transition when driven over quenched disorder. The machine learning derived order-parameter-like measure identifies the depinning transition as well as different dynamical regimes, such as the transition from a flowing liquid to a phase separated liquid-solid state that is not readily distinguished with traditional measures such as velocity-force curves or Voronoi tessellation. The order-parameter-like measure also shows markedly distinct behavior in the limit of high density where jamming effects occur. Our results should be general to the broad class of particle-based systems that exhibit depinning transitions and nonequilibrium phase transitions.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Effect of inlet throttling on thermohydraulic instability in a large scale water-based RCCS: An experimental study
The objective of the present experimental study is to investigate the effect of inlet throttling on the thermohydraulic stability of a large scale water-based Reactor Cavity Cooling System (RCCS). The test was performed using the water-based Natural convection Shutdown heat removal Test Facility (NSTF) at Argonne, which represented a ½ axial scale and 12.5° sector slice of the full scale Framatome 625 MW t SC-HTGR RCCS concept. A two-phase steady state was first established through direct condensate refill, followed by increased inlet throttling over 10 stages, corresponding to a loss coefficient K over the range of 0.05–653. With the inlet throttling gradually increased, the system experienced a unique transition process between stabilization and destabilization. Through a stability analysis, three instability mechanisms were identified in the present test, including a compound mechanism due to both natural circulation oscillations (NCOs) and density wave oscillations (DWOs), Type-II DWOs, and geysering.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Evaluation of Selected Chemical Processes for Production of Low-cost Silicon, Phase 3
The construction of the 50 MT Si/year experimental process system development unit was deferred until FY 1980, and the fluidized bed, zinc vaporizer, by-product condenser, and electrolytic cell were combined with auxiliary units, capable of supporting 8-hour batchwise operation, to form the process development unit (PDU), which is scheduled to be in operation by October 1, 1979. The design of the PDU and objectives of its operation are discussed. Experimental program support activities described relate to: (1) a wetted-wall condensor; (2) fluidized-bed modeling; (3) zinc chloride electrolysis; and (4) zinc vaporizer.
Blocher, J. M., Jr.↗
Numerical Investigation of Enhanced Dehumidification Processes By Using Dielectrophoresis Principles in Moist Airflows
Dispersed particle-laden flows are encountered in many building and industrial applications, such as flow in a fluidized bed, hydrocarbon transportation in pipelines, and the fouling of air-cooled heat exchangers (Kuruneru et al., 2016; Ray et al., 2019; Wang et al., 2019). Computational fluid dynamic (CFD) models have been developed in recent years to depict particle-fluid and particle-particle interactions in laminar or turbulent flows with increasing accuracy and stability. One particular particle-laden system of interest for moisture control is electrically-enhanced condensation in air and water droplet flows. Electrically-enhanced condensation consists of the use of highly charged water droplets injected in the moist air. The droplets become electric seeds that attract polar water vapor molecules to their surfaces and promote condensation. The nucleation and growth of the charged droplets deplete the vapor phase near a droplet, which is compensated for by the dielectrophoresis flow and diffusion. Dielectrophoresis flow involves surrounding vapor at a distance of about 10 to 100 nm for droplets charged by an electrospray compared to ~2 nm for a single electron charge in a droplet. As the vapor molecules collapse on the surface of the droplets, their initial electrical charge decreases with time due to the neutralization of the ions. While the physics of this phenomena is well known, engineering models for predicting the condensation rates are not available. This work computationally investigates dehumidification of moist airflow in a converging rectangular duct. The objective is to develop an engineering model that predicts water vapor condensation by employing dielectrophoresis principles. We construct a Computational Fluid Dynamics (CFD) model of the duct with electrically-enhanced condensation. The model is implemented in the open-source software OpenFOAM. We utilize the Multi-Phase Particle-In-Cell (MP-PIC) method coupled with a Population Balance Equation (PBE) approach to simulate the particle-laden system. This methodology is an Eulerian-Lagrangian approach used to simulate the droplets' behavior in the humid air. The MP-PIC approach (Andrews and O'Rourke, 1996) mitigates the computational cost by parceling several fundamental particles with similar properties (such as types, sizes, and temperature) into one computational particle. Thus, the billions of particles can be substituted by millions of computational particles without significant loss of information. The PBE was considered with the Lagrangian frame to combine the particle distribution function used in MP-PIC (Kim et al., 2020). This approach preserves mass and energy conservation between the phases in the Eulerian and Lagrangian structures. The PBE in this procedure was directly linked to the discrete parcels, making the simulation of the particle distribution computationally efficient and robust. The MP-PIC-PBE approach used in the present work was applied to the dehumidification of air. Water droplets were injected in the air stream and forced to grow according to experimentally derived correlation. The experiments were conducted on a converging duct with the same geometry and boundary conditions used to build the CFD model. This approach enabled us to approximate the effect of dielectrophoresis phenomena on the droplet and air interface. This presentation will discuss the details of the new CFD model built for the duct, the implementation of the model in OpenFOAM CFD programming language, and the experimental validation of the newly developed model. The results revealed a moderate yet measurable increase in droplet diameter due to water vapor condensation at the vapor-liquid interface of the electrically charged droplets' surface. The seed water droplet particles grew in size by capturing the water vapor in the surrounding air. The OpenFOAM model predicted reductions of humidity in the air from 5 to 10 percent.
Yel Mahi, Maliha↗
Many-body localization transition with correlated disorder
We address the critical properties of the many-body localization (MBL) phase transition in one-dimensional systems subject to spatially correlated disorder. Rather than starting from a microscopic model, we analyze the transition within a strong-randomness renormalization group (RG) framework. We argue that anticorrelations in the disorder are generally irrelevant at the MBL transition. Furthermore, assuming the MBL transition is described by the recently developed renormalization-group scheme, we argue that even positively correlated disorder leaves the critical theory unchanged, although it modifies certain properties of the many-body localized phase.
1-dimensional systems↗
Flow Boiling and Condensation Experiment Flight Hardware Development
The Flow Boiling and Condensation Experiment (FBCE) to be manifested on the International Space Station (ISS) consists of a fluid system and the associated electronics to provide for conditioning the test fluid (normal-PerFluorohexane or nPFH-C6F14) to the proper thermodynamic state prior to entering a test module, which can be interchangeable based on the science objectives. Two separate test modules have been manufactured for the FBCE, the Flow Boiling Module (FBM), which investigates flow boiling for a subcooled liquid, saturated liquid, or two phase mixture, and the Condensation Module Heat Transfer (CM-HT), which investigates condensation of a flowing saturated or superheated vapor. The test fluid heating is accomplished using the Bulk Heater Module (BHM), which heats the fluid to various states based on the demands of the currently installed test module. ISS Internal Thermal Control System (ITCS) water is utilized to cool the test fluid prior to entering the circulation pump, and is also utilized for cooling for condensation in CM-HT, for cooling of a camera in FBM. An adjustable pressure bellows-type accumulator is used to set the pressure at the inlet of the test section, but does not provide active pressure control during testing. The flow of the test fluid is achieved using a gear pump controlled by a coriolis flow meter, which also provides the flow rate measurement. Flow rates for the ITCS water loops are measured and controlled using coriolis flow meters with directly controlled proportional valves. During execution of FBCE operations, the FBM is scheduled to collect data for three months before being exchanged with CM-HT for another three month data collection run. In this work, we present the development of the flight hardware, the associated challenges experienced during the development such as packaging flight system hardware, and the lessons learned in overcoming the encountered challenges.
Guzik, Monica C.↗
Mechanisms of deterioration of intermediate moisture food systems
A study of shelf stability in intermediate moisture foods was made. Major efforts were made to control lipid oxidation and nonenzymatic browning. In order to determine means of preventing these reactions, model systems were developed having the same water activity content relationship of intermediate moisture foods. Models were based on a cellulose-lipid and protein-lipid system with glycerol added as the humectant. Experiments with both systems indicate that lipid oxidation is promoted significantly in the intermediate moisture range. The effect appeared to be related to increased mobility of either reactants or catalysts, since when the amount of water in the system reached a level where capillary condensation occurred and thus free water was present, the rates of oxidation increased. With added glycerol, which is water soluble and thus increases the amount of mobile phase, the increase in oxidation rate occurs at a lower relative humidity. The rates of oxidation were maximized at 61% RH and decreased again at 75% RH probably due to dilution. No significant non-enzymatic browning occurred in the protein-lipid systems. Prevention of oxidation by the use of metal chelating agents was enhanced in the cellulose system, whereas, with protein present, the lipid soluble chain terminating antioxidants (such as BHA) worked equally as well. Preliminary studies of foods adjusted to the intermediate moisture range bear out the results of oxidation in model systems. It can be concluded that for most fat containing intermediate moisture foods, rancidity will be the reaction most limiting stability.
Labuza, T. P.↗
Tunable fragile topology in Floquet systems
We extend the notion of fragile topology to periodically driven systems. Here we demonstrate driving-induced fragile topology in two different models, namely, the Floquet honeycomb model and the Floquet π-flux square-lattice model. In both cases, we discover a rich phase diagram that includes Floquet fragile topological phases protected by crystalline rotation or mirror symmetries, Floquet Chern insulators, and trivial atomic phases, with distinct boundary features. Remarkably, the transitions between different phases can be feasibly achieved by simply tuning the driving amplitudes, which is a unique feature of driving-enabled topological phenomena. Moreover, corner-localized fractional charges are identified as a “smoking-gun” signal of fragile topology in our systems. Our work paves the way for studying and realizing fragile topology in Floquet systems.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Transformations in crystals of DNA-functionalized nanoparticles by electrolytes
Colloidal crystals have applications in water treatments, including water purification and desalination technologies. It is, therefore, important to understand the interactions between colloids as a function of electrolyte concentration. We study the assembly of DNA-grafted gold nanoparticles immersed in concentrated electrolyte solutions. Increasing the concentration of divalent Ca 2+ ions leads to the condensation of nanoparticles into face-centered-cubic (FCC) crystals at low electrolyte concentrations. As the electrolyte concentration increases, the system undergoes a phase change to body-centered-cubic (BCC) crystals. This phase change occurs as the interparticle distance decreases. Molecular dynamics analysis suggests that the interparticle interactions change from strongly repulsive to short-range attractive as the divalent-electrolyte concentration increases. A thermodynamic analysis suggests that increasing the salt concentration leads to significant dehydration of the nanoparticle environment. We conjecture that the intercolloid attractive interactions and dehydrated states favour the BCC structure. Our results gain insight into salting out of colloids such as proteins as the concentration of salt increases in the solution.
Chemistry↗
Floquet dynamics of disordered bands with isolated critical energies
We investigate localization properties of driven models which exhibit a subextensive number of extended states in the static setting. We consider instances where the extended modes are or are not protected by topological considerations. To this end, we contrast the strongly driven, disordered, lowest Landau level, which we refer to as the random Landau model (RLM), with the random dimer model (RDM); the RDM also has a subextensive set of delocalized modes in the middle of the spectrum whose origin is not topological. We map the driven models on to a higher-dimensional effective model and numerically compute the localization length as a function of disorder strength, drive amplitude, and frequency using the recursive Green's function method. Our numerical results indicate that, in the presence of a strong drive (low frequency and/or large drive amplitude), the topologically protected RLM continues to exhibit a spectrum with both localized and delocalized (or critical) modes, but the spectral range of delocalized modes is enhanced by the driving. This occurs due to an admixture of the localized modes with extended modes arising due to the topologically protected critical energy in the middle of the spectrum. On the other hand, in the RDM, a weak drive immediately localizes the entire spectrum. This occurs in contrast to the naive expectation from perturbation theory that mixing between localized and delocalized modes generically enhances the delocalization of all modes. Our work highlights the importance of the origin of the delocalized modes in the localization properties of the corresponding Floquet model.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
One-dimensional Holstein model revisited
Here, we analyze the global ground-state (quantum) phase diagram of the one-dimensional spinful Holstein model at half filling as a function of the strength of the electron-phonon coupling (represented by the strength of the phonon-induced attraction, U) and the phonon frequency ω 0 . In addition to reanalyzing the various asymptotic regimes, we carry out density-matrix renormalization group simulations to correct previous inferences concerning the antiadiabatic (large ω 0 ) and strong-coupling (large U) regimes. There are two distinct phases—a fully gapped commensurate charge-density-wave phase and a spin-gapped Luther-Emery phase with a gapless charge mode—separated by a phase boundary, with a shape that reflects different microscopic physics in the weak- and strong-coupling limits.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Chemistry of solar material
The calculated chemical compositions of the gaseous and condensed phases in the primitive solar nebula are presented for both equilibrium and disequilibrium condensation. The implications for the compositions of individual solar-system bodies will be briefly discussed. Condensation from an otherwise solar-composition gas in which carbon is more abundant than oxygen is mentioned.
Barshay, S. S.↗
Development of a Model and Computer Code to Describe Solar Grade Silicon Production Processes
The program aims at developing mathematical models and computer codes based on these models, which allow prediction of the product distribution in chemical reactors for converting gaseous silicon compounds to condensed-phase silicon. The major interest is in collecting silicon as a liquid on the reactor walls and other collection surfaces. Two reactor systems are of major interest, a SiCl4/Na reactor in which Si(l) is collected on the flow tube reactor walls and a reactor in which Si(l) droplets formed by the SiCl4/Na reaction are collected by a jet impingement method. During this quarter the following tasks were accomplished: (1) particle deposition routines were added to the boundary layer code; and (2) Si droplet sizes in SiCl4/Na reactors at temperatures below the dew point of Si are being calculated.
Srivastava, R.↗
Experimental and analytical investigation of 0 G condensation in a mechanical refrigeration system application
Basic equations of momentum and energy are presented and discussed with respect to heat transfer and pressure drop for forced flow condensation in horizontal tubes under 1-g and 0-g conditions. Some experimental results are presented for condensing refrigerant-12 in a system of three parallel-connected quartz tubes (3-mm inside diameter, G = 1.037 to 3.456 x 105 lbm/hr-sq. ft). From high speed photographs, measurements were obtained of film thickness, phase velocities, disturbance wavelengths, and flow regimes and their transitions. Based upon these measurements various dimensionless force ratios (flow and instability parameters) were calculated. Under 0-g conditions a uniformly thick redistribution of liquid condensate about the tube walls was found to result in a lowered heat transfer coefficient as compared with 1-g conditions, based upon fundamental heat transfer theory. A model is proposed that takes into account the difference in heat transfer due to condensate distribution under 1-g and 0-g conditions.
Keshock, E. G.↗
Metastable Phase Relations in the System Ca(sub O)-Al2(sub O)3-MgO-TiO(sub 2): Applications to Ca- And Al-Rich Inclusions
Introduction: High temperature phases such as corundum, hibonite, grossite, and perovskite are among the earliest phases that condensed in the early solar nebula. Recent work has shown that defect-structured phases occur in some ultrarefractory inclusions as metastable, possibly more kinetically-favored alternatives to the thermodynamically predicted stable phase assemblages [1-4]. For example, Han et al. have shown that non-stoichiometry in hibonite is accommodated by extra "spinel" blocks in the structure instead of the equilibrium assemblages hibonite+corundum or hibonite+spinel. To explore these relations, we have conducted a series of experiments in the system CaO-Al2O3- MgO-TiO2. Here we discuss the compositions and mineralogy of the experimental samples and how they relate to phases in refractory inclusions with a focus on perovskite and spinel. Methods: For the series of annealing studies, a CaO-Al2O3 eutectic melt is allowed to react with a pure alumina crucible at 1,530degC for either 4 hours or 5 days, followed by quenching in air. Later experiments were similar except that additions of 5 wt% MgO, and CaTiO(sub 3) were used to explore the effect of minor elements on the phase assemblages. The experimental conditions resulted in reaction zones approximately 100-300 m wide consisting of a hibonite layer immediately adjacent to the corundum, followed by a grossite layer, and finally krotite with residual quenched melt. For the experiments with Mg, spinel is distributed in all layers but is mainly concentrated in the krotite layer. In the Ti-bearing experiments, perovskite precipitated in association with the krotite and residual melt. In addition to the experiments, we also analyzed perovskite grains in the FUN inclusion SHAL [5] and a large compact type A CAI from Allende. The experiments and refractory inclusions were analyzed using a JEOL 7600F SEM and quantitative analyses were obtained using the JEOL 8530F field-emission electron microprobe.
Keller, L. P.↗
Twisted bilayers of thin film magnetic topological insulators
Twisted bilayer graphene (TBG) near "magic angles" has emerged as a rich platform for strongly correlated states of two-dimensional (2D) Dirac semimetals. Here we show that twisted bilayers of thin film magnetic topological insulators (MTIs) with large in-plane magnetization can realize flat bands near 2D Dirac nodes. Using a simple model for thin films of MTIs, we derive a continuum model for two such MTIs, twisted by a small angle with respect to each other. When the magnetization is in plane, we show that interlayer tunneling terms act as effective SU (2) vector potentials, which are known to lead to flat bands in TBG. We show that by changing the in-plane magnetization, it is possible to tune the twisted bilayer MTI band dispersion to quadratic band touching or to flat bands, similar to the TBG. If realized, this system can be a highly tunable platform for strongly correlated phases of two-dimensional Dirac semimetals.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗