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At least 1,333 records · Page 74

Design and Performance Evaluation of Al{sub 2}O{sub 3}-SiC Composite for Direct-Bonded Copper Substrate

A computational material design approach is applied to propose a novel ceramic material for direct-bonded copper (DBC) substrate with enhanced thermal and structural performance. The material design inherently consists of many competing requirements that require careful decisions regarding key trade-offs in terms of material composition, inclusion size, shape, and distribution to achieve the target properties. The alumina-silicon (Al{sub 2}O{sub 3}-SiC) composite, as compared to commercial alumina, used in DBC is found to be the most suitable design among other candidates with improved thermal and structural properties. In order to study the performance characteristics and the effects of the new ceramic composite with improved properties in terms of structural behavior and fatigue life of the DBC substrate, the normal working and extreme thermal cycling conditions were simulated and analyzed using finite element method. The temperature, strain, and localized stress distribution within the substrate at a steady-state condition were analyzed, and the improved Coffin–Manson law was used to calculate the fatigue life of the substrate under extreme thermal cycling conditions. The proposed Al{sub 2}O{sub 3}-SiC composite is found to be more robust than the commercial alumina as DBC substrates considering the thermal–mechanical performance. The fatigue life cycle of the DBC substrate with the proposed material is predicted to be about two times longer than the commercial alumina DBC ceramic under transient thermal cycling test.

36 MATERIALS SCIENCE↗

INTERSTELLAR NEUTRAL HELIUM IN THE HELIOSPHERE FROM IBEX OBSERVATIONS. IV. FLOW VECTOR, MACH NUMBER, AND ABUNDANCE OF THE WARM BREEZE

Following the high-precision determination of the velocity vector and temperature of the pristine interstellar neutral (ISN) He via a coordinated analysis summarized by McComas et al., we analyzed the Interstellar Boundary Explorer (IBEX) observations of neutral He left out from this analysis. These observations were collected during the ISN observation seasons 2010–2014 and cover the region in the Earth's orbit where the Warm Breeze (WB) persists. We used the same simulation model and a parameter fitting method very similar to that used for the analysis of ISN He. We approximated the parent population of the WB in front of the heliosphere with a homogeneous Maxwell–Boltzmann distribution function and found a temperature of ∼9500 K, an inflow speed of 11.3 km s{sup −1}, and an inflow longitude and latitude in the J2000 ecliptic coordinates 251.°6, 12.°0. The abundance of the WB relative to ISN He is 5.7% and the Mach number is 1.97. The newly determined inflow direction of the WB, the inflow directions of ISN H and ISN He, and the direction to the center of the IBEX Ribbon are almost perfectly co-planar, and this plane coincides within relatively narrow statistical uncertainties with the plane fitted only to the inflow directions of ISN He, ISN H, and the WB. This co-planarity lends support to the hypothesis that the WB is the secondary population of ISN He and that the center of the Ribbon coincides with the direction of the local interstellar magnetic field (ISMF). The common plane for the direction of the inflow of ISN gas, ISN H, the WB, and the local ISMF is given by the normal direction: ecliptic longitude 349.°7 ± 0.°6 and latitude 35.°7 ± 0.6 in the J2000 coordinates, with a correlation coefficient of 0.85.

79 ASTRONOMY AND ASTROPHYSICS↗

Phase Transitions in Lead Hafnate under High Pressure

The effect of hydrostatic pressure on phase transitions in lead hafnate (PbHfO{sub 3}) has been studied by the methods of X-ray diffraction and X-ray diffuse scattering. The measurements were performed in the temperature range of 182 < T < 316°C and the pressure range of 1.6 < P < 2.6 GPa. Four regions characterized by different X-ray diffraction patterns and corresponding to an antiferroelectric phase, phases with a long-wavelength modulation of the lead sublattice, and phases with different distortions of the oxygen sublattice are identified. In the temperature region immediately above the region of phases with a long-wavelength modulation, a temperature-dependent maximum in the distribution of diffuse scattering was detected, which means that such a modulation is formed due to condensation of an incommensurate soft mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SULI Research Report

Acoustic levitation allows for the containerless manipulation of small samples limited by density, size, and shape. Modern acoustic levitators are either constructed with Langevin horns, which need to be machined to high tolerance and require at least 100V, or ultrasonic transducers, which are robust to changes in temperature and require low voltage. We investigated the ability of the TinyLev, a commercially available single axis levitator, and prototyped a two-axis levitator. Both the TinyLev and our two-axis levitator employ phased arrays of transducers and operate at 40 kHz. Models produced with the Python toolbox Levitate showed the characteristic nodes of the TinyLev and found two previously unpublished “traps” (stable local pressure minima) of the twoaxis levitator. We plan to use these levitators at the Advanced Photon Source (APS) to study a variety of samples, via white beam diffraction and high speed imaging. It is our goal to calculate the radial distribution function with respect to temperature across phase transitions.

42 ENGINEERING↗

Geomechanical in situ testing of fault reactivation in argillite repositories

Abstract. Pressurization of natural faults as a result of repository-induced effects can lead to their reactivation and permeability generation in case such features are present near disposal tunnels. Potential driving forces for such pressurization are the temperature increase caused by heat-producing high-level radioactive waste and the generation of hydrogen and other gases due to corrosion of engineered materials. We are primarily concerned about pressurization and fault activation in host rocks and faults that have very low natural permeability for pore pressure increases to dissipate, such as the argillite rocks currently investigated in Switzerland, France and other countries. This presentation discusses a series of in situ experiments of fault activation by fluid injection conducted in the argillite rock (Opalinus clay) at the Mont Terri underground research laboratory in Switzerland. A multi-model monitoring test bed was installed at Mont Terri that includes distributed fiber optics for strain, temperature, and acoustics; local fault pore pressure and three-dimensional displacement sensors; active seismic imaging; and passive seismic monitoring. The fault experiments (and their subsequent analysis via hydromechanical modeling) provide a new fundamental understanding of the coupling between pore pressure, fault deformation and permeability generation as a function of time and allow exploring how seismic and aseismic events may impact the integrity of faulted argillite host rock. Our experimental observations demonstrate that significant flow (and transport) can occur along the initially impermeable argillite fault when rupture is activated. However, the fault permeability decreases to almost its pre-activation value when fluid injection ceases and fluid pressure drops. Dilatant slip on the fault plane alone does not explain the observed increase in fault permeability; pressure-induced fault opening also plays a role, favored by the softness of the shale along with the fact that the structure of the fault zone prevents fluids from diffusing into the adjacent damage zone. Rupture initiation and permeability generation is initially aseismic, associated only with an increase in noise level and emerging tremors. Micro-earthquakes are initiated later in the experiments and typically occur away from the fluid-pressurized area. Hydromechanical models show that stress transferred from the initial aseismic deformation can build up to stress criticality and later induce seismic rupture. After presenting the experimental results, we will close the presentation with an outlook to future experimental campaigns using the fault test bed at Mont Terri. We are currently planning a controlled thermal stimulation of the fault, where instead of fluid injection as a trigger mechanism we will heat up the nearby rock volume and measure potential effects on fault stability. Lessons learned from our past and future experiments will help inform the safety assessment of geologic disposal in argillite host rock.

Birkholzer, Jens T.↗

Full core LOCA analysis for BWR/6 - Methodology and first results

As part of collaboration between the Paul Scherrer Institute (PSI) and the Swiss regulator ENSI, a study aimed at core-wide estimates of the fuel rod behaviour during large-break loss-of-coolant-accidents (LB-LOCA) in BWR/6 plants was recently conducted on the basis of a Swiss reactor. To perform such full core LOCA analysis, a methodology consisting of a multi-physics sequence of interfaced best-estimate models and codes was established: CASMO-4E/SIMULATE-3 (C4/S3) for the core modelling, TRACE for the plant system analysis and FALCON for the fuel thermomechanical calculations during base irradiation (BI) as well as for the transient analyses (TA). As starting point, reference C4/S3 models validated for all operated cycles of the given plant were used to select as situation target, a recent cycle representative of modern BWR core loadings and fuel assembly designs. Based on the selected C4/S3 cycle model, PSI in-house computational modules were developed or updated in order to set up the TRACE full core model with regards to assembly geometries, fuel rods thermophysical properties and initial 3-D power distributions. Also, an interface to FALCON BI models was established for the transfer of the irradiation history, including primarily linear heat generation rates (LHGR), for an equivalent fuel pin. For each assembly, the power of the equivalent pin is defined with the maximum power of all pins at each axial position. However, in order to reduce the computational time of the fuel performance analyses, the whole core was subdivided into groups of assemblies, each represented by the most powerful assembly within the group. On this basis, the FALCON BI analyses were conducted with coupling to the PSI advanced model for gas release and swelling (GRWS-A) and an interface was developed to transfer the calculated fuel rod characteristics at end of irradiation to initialize the core fuel rods heat structures in the TRACE model. Subsequently, double-ended recirculation line rupture scenarios at hot-full-power (HFP) conditions were investigated with TRACE in order to determine a conservative transient case as function of cycle burnup, single failure criterion and availability of safety systems. For the most conservative case of this study, an interface was set-up to transfer the TRACE results as boundary conditions to the FALCON TA models, including thus primarily time and axial distributions of the clad outer temperatures. As final step, the FALCON TA were conducted for the representative assemblies in order to infer core-wide estimates of the fuel rod behaviour with specific focus on equivalent cladding reacted levels, hoop strains as well as margins to failure criteria. The objective of this paper is to present this methodology along with the obtained first results. Regarding the latter, it is found that principally, even for the most conservative LOCA scenario of this study, the clad temperature excursion remains mild enough at all core locations such that no significant rod ballooning and no cladding failure is predicted, something in line with corresponding analyses conducted earlier for BWR/4 plants. (authors)

42 ENGINEERING↗

Thermally stimulated iron oxide transformations and magnetic behaviour of cerium dioxide/iron oxide reactive sorbents

The present paper is devoted to detailed study of the magnetically separable sorbents based on a cerium dioxide/iron oxide composite annealed at temperatures T{sub a} = 773 K, 873 K, and 973 K. The X-ray diffraction and high resolution transmission electron microscopy are used to determine the phase composition and microstructure morphology. Mössbauer spectroscopy at room (300 K) and low (5 K) temperatures has contributed to more exact identification of iron oxides and their transformations Fe{sub 3}O{sub 4} → γ-Fe{sub 2}O{sub 3} (ε-Fe{sub 2}O{sub 3}) → α-Fe{sub 2}O{sub 3} in dependence on calcination temperature. Different iron oxide phase compositions and grain size distributions influence the magnetic characteristics determined from the room- and low-temperature hysteresis loop measurements. The results are supported by zero-field-cooled and field-cooled magnetization measurements allowing a quantitative estimation of the grain size distribution and its effect on the iron oxide transformations. - Highlights: •Magnetically separable sorbents based on a CeO{sub 2}/Fe{sub 2}O{sub 3} composite were investigated. •Microstructure of sorbents was determined by XRD, TEM and Mössbauer spectroscopy. •Magnetic properties were studied by hysteresis loops at room- and low-temperatures. •Phase transitions of iron oxides with increasing annealing temperature are observed.

36 MATERIALS SCIENCE↗

Initial development of a generic fluoride salt-cooled reactor model

Fluoride high-temperature reactors (FHRs) are high-temperature, low-pressure reactor concepts that use tri-structural isotropic (TRISO) fuel and molten fluoride salt coolant. These reactors have the potential to provide both electrical power and high-temperature process heat. We used generic FHR parameters for a pebble-bed FHR to develop an initial model with fresh fuel for a generic FHR (gFHR) in MELCOR and SCALE (NEWT and KENO). In this paper, we present the development of our gFHR models, which will serve as the baseline for a sensitivity and uncertainty analysis to quantify the range of possible source terms for FHRs in severe accidents. We present MELCOR results for fuel and coolant temperatures through the core, a nodalization study for the steady-state thermal hydraulic model, and development of reactor physics models in SCALE. As this work progresses, these models will be used to calculate source terms for a loss-of-forced-flow accident and to conduct a sensitivity study on this accident to establish a range of possible source terms. SCALE will provide reactor physics parameters like isotopic inventory, decay heat generation, and temperature coefficients of reactivity. Using the uncertainty quantification tools within SCALE, we will generate distributions for those parameters and will use the uncertainty quantification code RAVEN or DAKOTA to sample those distributions in MELCOR to quantify the impact of reactor physics and thermal hydraulic uncertainties on FHR source terms. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Microtearing modes in tokamak discharges

Microtearing modes (MTMs) have been identified as a source of significant electron thermal transport in tokamak discharges. In order to describe the evolution of these discharges, it is necessary to improve the prediction of electron thermal transport. This can be accomplished by utilizing a model for transport driven by MTMs in whole device predictive modeling codes. The objective of this paper is to develop the dispersion relation that governs the MTM driven transport. A unified fluid/kinetic approach is used in the development of a nonlinear dispersion relation for MTMs. The derivation includes the effects of electrostatic and magnetic fluctuations, arbitrary electron-ion collisionality, electron temperature and density gradients, magnetic curvature, and the effects associated with the parallel propagation vector. An iterative nonlinear approach is used to calculate the distribution function employed in obtaining the nonlinear parallel current and the nonlinear dispersion relation. The third order nonlinear effects in magnetic fluctuations are included, and the influence of third order effects on a multi-wave system is considered. An envelope equation for the nonlinear microtearing modes in the collision dominant limit is introduced in order to obtain the saturation level. In the limit that the mode amplitude does not vary along the field line, slab geometry, and strong collisionality, the fluid dispersion relation for nonlinear microtearing modes is found to agree with the kinetic dispersion relation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Wave processes in dusty plasma near the Moon’s surface

A plasma—dust system in the near-surface layer on the illuminated side of the Moon is described. The system involves photoelectrons, solar-wind electrons and ions, neutrals, and charged dust grains. Linear and nonlinear waves in the plasma near the Moon’s surface are discussed. It is noticed that the velocity distribution of photoelectrons can be represented as a superposition of two distribution functions characterized by different electron temperatures: lower energy electrons are knocked out of lunar regolith by photons with energies close to the work function of regolith, whereas higher energy electrons are knocked out by photons corresponding to the peak at 10.2 eV in the solar radiation spectrum. The anisotropy of the electron velocity distribution function is distorted due to the solar wind motion with respect to photoelectrons and dust grains, which leads to the development of instability and excitation of high-frequency oscillations with frequencies in the range of Langmuir and electromagnetic waves. In addition, dust acoustic waves can be excited, e.g., near the lunar terminator. Solutions in the form of dust acoustic solitons corresponding to the parameters of the dust—plasma system in the near-surface layer of the illuminated Moon’s surface are found. Ranges of possible Mach numbers and soliton amplitudes are determined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Predictive Large-Eddy Simulation of Supercritical-Pressure Reactive Flows in the Cold Ignition Regime

This report describes a one-year study performed under DOE sponsorship, continuing the investigation of high-pressure turbulent reactive flows. The interest is in the effect of the chemical species distribution in high-pressure turbulent flows in the presence of strong temperature gradients as would occur during reactions in realistic flows. The prime example of such flows are boundary layers in which the wall is at a lower temperature than that of the fluid, as would be the case in Diesel engines. Previous DOE BES work in the program further highlighted the importance of the boundary layer as a configuration for fundamental studies: soot formation in boundary layers is still a problem poorly understood and depends on the availability of particular chemical species at that location, and when boundary layer Large Eddy Simulations results were compared with measurements, the agreement was unfavorable, showing that this important ‘unit’ problem is not well understood. To understand this unit problem, modeling and Direct Numerical Simulations of this unit problem were conducted for the simplest possible multispecies system, that is a binary-species system. The results discovered a new phenomenon, that is, Soret effect induced uphill diffusion. The far-reaching implication is that through an imposed wall/fluid temperature difference it is possible to control the distribution of the species in the boundary layer. Because the results have been documented in one paper published in the refereed literature, and also in conference papers, this final report is in the form of an Executive Summary succinctly describing the results and putting them in perspective with respect to existing information. The refereed and conference papers published are individually listed as Appendices and attached to this report. One manuscript is still in progress and is thus not listed.

74 ATOMIC AND MOLECULAR PHYSICS↗

Thermal Recovery of Colloidal Quantum Dot Ensembles Following Photoinduced Dimming

Colloidal CdSe quantum dot (QD) core ensembles were photodimmed and allowed to recover in the dark using ambient thermal energy at a range of temperatures. Nonlinear thermal recovery is well described by a stretched exponential function, and further analysis yields an underlying probability distribution of rate constants. Casting the rate constants as a collection of first-order activated processes provides an activation barrier probability distribution with significant density at room-temperature thermal energy that peaks at 200 meV before decaying to zero. This treatment for the recovery transition intuitively describes the distributed kinetics observed and complements commonly proposed blinking mechanisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Kinetic Properties of the Neutral Solar Wind

Charge-exchange collisions between the solar wind protons and interstellar hydrogen produce a distinctive population of neutral hydrogen streaming radially at nearly the solar-wind speed. This tenuous population, known as the neutral solar wind (NSW) is thought to play a key role in the appearance of the Interplanetary Boundary EXplorer ribbon, a bright circular band in the sky that is the source of neutral hydrogen with energies near 1 keV. According to the leading model of the ribbon, the velocity distribution of NSW hydrogen is imparted on the pickup ions (PUIs) generated via charge exchange with the interstellar protons beyond the heliopause, and in this way controls the stability of the resulting ring distribution of PUIs against hydromagnetic wave generation. In this paper, we examine the velocity distributions of the NSW atoms in the heliosphere and the outer heliosheath regions by following the phase-space trajectories of the Boltzmann equation. It is demonstrated that these distributions are highly anisotropic, with the parallel (radial) temperature greatly exceeding the perpendicular temperature. Ions picked up near 90° from the anisotropic NSW would form a stable ring distribution capable of generating the ribbon flux. We also discuss a second population of neutrals born in charge transfer collisions with interstellar PUIs, the so-called neutralized pickup ion (NPI) component. Their high thermal velocities translate into large parallel velocity spread of the daughter ribbon PUIs, which would adversely affect plasma stability in local interstellar space.

79 ASTRONOMY AND ASTROPHYSICS↗

Underlying Roles of Polyol Additives in Promoting CO2 Capture in PEI/Silica Adsorbents

Solid-supported amines having low molecular weight branched poly(ethylenimine) (PEI) physically impregnated into porous solid supports are promising adsorbents for CO2 capture. Co-impregnating short-chain poly(ethylene glycol) (PEG) together with PEI alters the performance of the adsorbent, delivering improved amine efficiency (AE, mol CO2 sorbed / mol N) and faster CO2 uptake rates. To uncover the physical basis for this improved gas capture performance, we probed the distribution and mobility of the polymers in the pores via small angle neutron scattering (SANS), solid-state NMR, and molecular dynamic (MD) simulation studies. SANS and MD simulations reveal that PEG displaces wall-bound PEI, making amines more accessible for CO2 sorption. Solid-state NMR and MD simulation suggest intercalation of PEG into PEI domains, separating PEI domains and reducing amine-amine interactions, providing potential PEG-rich and amine-poor interfacial domains that bind CO2 weakly via physisorption while providing facile pathways for CO2 diffusion. Contrary to a prior literature hypothesis, no evidence is obtained for PEG facilitating PEI mobility in solid supports. Instead, the data suggest that PEG chains coordinate to PEI, form larger bodies with reduced mobility compared to PEI alone. We also demonstrate promising CO2 uptake and desorption kinetics at varied temperatures, given by favorable amine distribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electron-scale temperature gradients in kinetic equilibrium: MMS observations and Vlasov–Maxwell solutions

For an ideal gas, the notion of thermodynamic equilibrium requires that the system’s temperature be spatially uniform. We demonstrate that for a collisionless plasma, kinetic equilibrium can be achieved even in the presence of a temperature gradient. Motivated by recent MMS magnetopause observations of thin current layers exhibiting electron-scale temperature gradients, here we present an exact solution to the Vlasov-Maxwell system which accounts for the observed electron temperature gradient and reproduces much of the plasma’s spatial variation along one dimension. Furthermore, the current layer in the Vlasov-Maxwell model is self-consistently supported by a prominent crescent shaped electron velocity distribution that naturally arises due to the temperature transition, which agrees with the electron distribution structures measured by MMS during two asymmetric current layers encountered at the magnetopause.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multi-dimensional modeling of non-equilibrium plasma for automotive applications

While spark-ignition (SI) engine technology is aggressively moving towards challenging (dilute and boosted) combustion regimes, advanced ignition technologies generating non-equilibrium types of plasma are being considered by the automotive industry as a potential replacement for the conventional spark-plug technology. However, there are currently no models that can describe the low-temperature plasma (LTP) ignition process in computational fluid dynamics (CFD) codes that are typically used in the multi-dimensional engine modeling community. A key question for the engine modelers that are trying to describe the non-equilibrium ignition physics concerns the plasma characteristics. A key challenge is also represented by the plasma formation timescale (nanoseconds) that can hardly be resolved within a full engine cycle simulation. This paper reports on the multi-dimensional modeling of LTP generated by a nanopulsed high-voltage discharge in a pin-to-pin electrode configuration, and evaluates the effects of ambient pressure on the post-discharge results. It is shown that a nanopulsed delivery can result in a LTP or a mode transition to an arc-like event depending on the mixture properties in the gap between the two electrodes. It is further shown that numerical predictions of the LTP-to-arc transition point as a function of ambient pressure along with qualitative distributions of important radicals and temperature closely match recent experiments with identical geometry and discharge characteristics. As a result, the high-fidelity modeling effort described in this paper can be used as a key tool to deliver in-depth understanding of non-equilibrium plasmas for automotive applications and lead to the future implementation of dedicated models for ignition technologies that are based on non-equilibrium plasma physics.

Scarcelli, Riccardo↗

In-field strain and temperature measurements in a (RE)Ba 2 Cu 3 O 7–x coil via Rayleigh-backscattering interrogated optical fibers

(RE)Ba 2 Cu 3 O 7-x (REBCO) conductors have overcome technical challenges related to manufacturing quality, length homogeneity, scale-up of piece-length, and joints. There is one remaining technical challenge, however, which is common to all high temperature superconductors and lies in effective detection of failure to prevent material degradation. An innovative technique based on optical fibers interrogated by Rayleigh backscattering has been shown to have advantages over voltage taps at detecting incipient faults. Prior work has experimentally demonstrated the technique in several implementation scenarios, including direct integration of optical fibers into superconducting conductors and cables to create a class of ‘SMART’ conductors and cables that are able to monitor their own health. In this paper, the magnet monitoring technique based on Rayleigh backscattering interrogated optical fibers has been experimentally studied in a model coil subject to external magnetic field, where different fiber integration methods are used to increase selectivity of the fiber sensor to temperature. Results show that the spectral shift displays different features during strain and thermal transients. The implications of the results in terms of potential and limitations of each sensor as well as strain-temperature decoupling are discussed.

36 MATERIALS SCIENCE↗

Using Real-Time Electricity Prices to Leverage Electrical Energy Storage and Flexible Loads in a Smart Grid Environment Utilizing Machine Learning Techniques

With exposure to real-time market pricing structures, consumers would be incentivized to invest in electrical energy storage systems and smart predictive automation of their home energy systems. Smart home automation through optimizing HVAC (heating, ventilation, and air conditioning) temperature set points, along with distributed energy storage, could be utilized in the process of optimizing the operation of the electric grid. Using electricity prices as decision variables to leverage electrical energy storage and flexible loads can be a valuable tool to optimize the performance of the power grid and reduce electricity costs both on the supply and demand sides. Energy demand prediction is important for proper allocation and utilization of the available resources. Manipulating energy prices to leverage storage and flexible loads through these demand prediction models is a novel idea that needs to be studied. In this paper, different models for proactive prediction of the energy demand for an entire city using different machine learning techniques are presented and compared. The results of the machine learning techniques show that the proposed nonlinear autoregressive with exogenous inputs neural network model resulted in the most accurate predictions. These prediction models pave the way for the demand side to become an important asset for grid regulation by responding to variable price signals through battery energy storage and passive thermal energy storage using HVAC temperature set points.

25 ENERGY STORAGE↗