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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Ray tracing and Hubble diagrams in post-Newtonian cosmology

On small scales the observable Universe is highly inhomogeneous, with galaxies and clusters forming a complex web of voids and filaments. The optical properties of such configurations can be quite different from the perfectly smooth Friedmann-Lemaȋtre-Robertson-Walker (FLRW) solutions that are frequently used in cosmology, and must be well understood if we are to make precise inferences about fundamental physics from cosmological observations. We investigate this problem by calculating redshifts and luminosity distances within a class of cosmological models that are constructed explicitly in order to allow for large density contrasts on small scales. Our study of optics is then achieved by propagating one hundred thousand null geodesics through such space-times, with matter arranged in either compact opaque objects or diffuse transparent haloes. We find that in the absence of opaque objects, the mean of our ray tracing results faithfully reproduces the expectations from FLRW cosmology. When opaque objects with sizes similar to those of galactic bulges are introduced, however, we find that the mean of distance measures can be shifted up from FLRW predictions by as much as 10%. This bias is due to the viable photon trajectories being restricted by the presence of the opaque objects, which means that they cannot probe the regions of space-time with the highest curvature. It corresponds to a positive bias of order 10% in the estimation of Ω{sub Λ} and highlights the important consequences that astronomical selection effects can have on cosmological observables.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Nonnegative methods for bilinear discontinuous differencing of the S N equations on quadrilaterals

Historically, matrix lumping and ad hoc flux fixups have been the only methods used to eliminate or suppress negative angular flux solutions associated with the unlumped bilinear discontinuous (UBLD) finite element spatial discretization of the two-dimensional S N equations. Though matrix lumping inhibits negative angular flux solutions of the S N equations, it does not guarantee strictly positive solutions. In this paper, we develop and define a strictly nonnegative, nonlinear, Petrov-Galerkin finite element method that fully preserves the bilinear discontinuous spatial moments of the transport equation. Additionally, we define two ad hoc fixups that maintain particle balance and explicitly set negative nodes of the UBLD finite element solution to zero but use different auxiliary equations to fully define their respective solutions. We assess the ability to inhibit negative angular flux solutions and the accuracy of every spatial discretization that we consider using a glancing void test problem with a discontinuous solution known to stress numerical methods. Though significantly more computationally intense, the nonlinear Petrov-Galerkin scheme results in a strictly nonnegative solution and is a more accurate solution than all the other methods considered. One fixup, based on shape preserving, results in a strictly nonnegative final solution but has increased numerical diffusion relative to the Petrov-Galerkin scheme and is less accurate than the UBLD solution. The second fixup, which preserves as many spatial moments as possible while setting negative values of the unlumped solution to zero, is less accurate than the Petrov-Galerkin scheme but is more accurate than the other fixup. However, it fails to guarantee a strictly nonnegative final solution. As a result, the fully lumped bilinear discontinuous finite element solution is the least accurate method, with significantly more numerical diffusion than the Petrov-Galerkin scheme and both fixups.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Atomistic simulation methods for long-time dynamics in materials for nuclear energy systems

Many important processes in materials systems are intrinsically atomistic in nature but involve time scales that span many orders of magnitude, thus exceeding what can be directly simulated using molecular dynamics. This is especially true for materials in nuclear energy applications, in which defects created by collision cascades on the femtosecond-picosecond time scale cause microstructural changes that continue to evolve for years, in many cases leading to failure of the material. In this chapter, we review atomistic methods for reaching long time scales in systems like these. These accelerated molecular dynamics and adaptive kinetic Monte Carlo methods exploit the infrequent-event nature of the diffusive events that comprise this long-time evolution. In favorable cases, these methods can predict state-to-state evolution that approximates what would result from an extremely long molecular dynamics simulation, and the most accurate of the methods can do this to arbitrary accuracy. We present some examples of applications of these methods to problems relevant to nuclear energy materials, the subject of this volume. We then discuss situations that are difficult for the methods, causing them to be less efficient, and we conclude with a short list of the most pressing issues in the further development of these approaches to make them as powerful and predictive as possible for realistic problems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Dark Field Proton Radiography (Los Alamos LDRD Report)

Proton radiography at LANL (pRad) takes advantage of the high flux, high proton energy, and flexible timing structure of LANSCE's 800-MeV proton beam to visualize dense, dynamic systems under extreme strain. With recent needs identified for the development of the W93, the pRad team has been actively searching for ways to increase the facility's radiographic capabilities. Recently, we discovered that utilizing two magnetic lenses (one upstream and one downstream of the object), and specific combinations of collimator choices within the two lenses, that the signal-to-noise ratio was improved by more than a factor of two. However, we did not fully understand the mechanism, and found that results did not match forward modeling predictions. This work specifically sought to implement an engineering solution to solve this problem, through the development of an actuated collimator that reduced the time required to swap collimator settings from a typical 4-8 hours, to less than 30 seconds. This allowed, in combination with a unique multi-material, multi-resolution stepwedge, to acquire an unprecedently enormous dataset, with in total 24 collimation combinations, and multiple diffuser settings and pulse patterns, equivalent to almost a full run cycle's worth of data in a few days. This massive dataset is currently being harnessed to make a fully-predictive, ultra-fast Python-based model of the system, to dial in specific settings for any future experiments that fully optimize that radiographic sensitivity to the material of interest.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Approximate Bayesian Computation applied to the Diffuse Gamma-Ray Sky

ABSTRACT Many sources contribute to the diffuse gamma-ray background (DGRB), including star forming galaxies, active galactic nuclei, and cosmic ray interactions in the Milky Way. Exotic sources, such as dark matter annihilation, may also make some contribution. The photon counts-in-pixels distribution is a powerful tool for analysing the DGRB and determining the relative contributions of different sources. However, including photon energy information in a likelihood analysis of the counts-in-pixels distribution quickly becomes computationally intractable as the number of source types and energy bins increase. Here, we apply the likelihood-free method of approximate Bayesian computation (ABC) to the problem. We consider a mock analysis that includes contributions from dark matter annihilation in Galactic subhaloes as well as astrophysical backgrounds. We show that our results using ABC are consistent with the exact likelihood when energy information is discarded, and that significantly tighter parameter constraints can be obtained with ABC when energy information is included. ABC presents a powerful tool for analysing the DGRB and understanding its varied origins.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Data-Driven Reduced-Order Modeling of Convective Heat Transfer in Porous Media

This work presents a data-driven Reduced-Order Model (ROM) for parametric convective heat transfer problems in porous media. The intrusive Proper Orthogonal Decomposition aided Reduced-Basis (POD-RB) technique is employed to reduce the porous medium formulation of the incompressible Reynolds-Averaged Navier–Stokes (RANS) equations coupled with heat transfer. Instead of resolving the exact flow configuration with high fidelity, the porous medium formulation solves a homogenized flow in which the fluid-structure interactions are captured via volumetric flow resistances with nonlinear, semi-empirical friction correlations. A supremizer approach is implemented for the stabilization of the reduced fluid dynamics equations. The reduced nonlinear flow resistances are treated using the Discrete Empirical Interpolation Method (DEIM), while the turbulent eddy viscosity and diffusivity are approximated by adopting a Radial Basis Function (RBF) interpolation-based approach. The proposed method is tested using a 2D numerical model of the Molten Salt Fast Reactor (MSFR), which involves the simulation of both clean and porous medium regions in the same domain. For the steady-state example, five model parameters are considered to be uncertain: the magnitude of the pumping force, the external coolant temperature, the heat transfer coefficient, the thermal expansion coefficient, and the Prandtl number. For transient scenarios, on the other hand, the coastdown-time of the pump is the only uncertain parameter. The results indicate that the POD-RB-ROMs are suitable for the reduction of similar problems. The relative L2 errors are below 3.34% for every field of interest for all cases analyzed, while the speedup factors vary between 54 (transient) and 40,000 (steady-state).

German, Péter (ORCID:0000000307285283)↗
DOE OSTI2018

A Weighted Least-Squares Transport Equation Compatible with Source Iteration and Voids

We present that second-order forms of the transport equation allow the use of continuous finite elements (CFEMs). This can be desired in multiphysics calculations where other physics require CFEM discretizations. Second-order transport operators are generally self-adjoint, yielding symmetric positive-definite (SPD) matrices, which allow the use of efficient linear algebra solvers with an enormous advantage in memory usage. Least-squares (LS) forms of the transport equation can circumvent the void problems of other second-order forms but are almost always nonconservative. Additionally, the standard LS form is not compatible with discrete ordinates method (SN) iterative solution techniques such as source iteration. A new form of the LS transport equation has recently been developed that is compatible with voids and standard SN iterative solution techniques. Performing nonlinear diffusion acceleration (NDA) using an independently differenced low-order equation enforces conservation for the whole system and makes this equation suitable for reactor physics calculations. In this context, “independent” means that both the transport and low-order solutions converge to the same scalar flux and current as the spatial mesh is refined, but for a given mesh, the solutions are not necessarily equal. In this paper we show that introducing a weight function into this LS equation improves issues with causality and can render our equation equal to the self-adjoint angular flux (SAAF) equation. Causality is a principle of the transport equation that states that information travels only downstream along characteristics. This principle can be violated numerically. We show how to limit the weight function in voids and demonstrate the effect of this limit on accuracy. Using the C5G7 benchmark, we compare our method to the SAAF formulation with a void treatment (SAAFτ) that is not self-adjoint and has a nonsymmetric coefficient matrix. Finallyl, we show that the weighted LS equation with NDA gives acceptable accuracy relative to the SAAFτ equation while maintaining a SPD system matrix.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Group Structure Optimization Using the PyGroup Code

Group constants are used as coefficients in the energy domain discretized Linear Boltzmann Equation (LBE), in which the Continuous-Energy (CE) fluxes are also integrated over energy bins and transformed into group fluxes. This procedure, based on the Multi-Group (MG) theory, is widely applied in radiation transport and diffusion simulations Careful preparation of MG cross section data, or group constants, is thus a prerequisite for success in acquiring high-fidelity LBE solutions. Generation of MG cross section data itself is a complicated multi-step task, since group constants are indispensably coupled with the solution of the LBE, i.e. the flux spectrum in the problem to be solved. Theoretically, a MG cross section library is only valid for the problem that it is built upon. Nevertheless, in practice MG cross section libraries are prepared for similar type of problems, such as thermal reactors, fast reactors, etc., to facilitate the neutronic simulations. Generally, CE point-wise cross section data set, generated by both theoretical models and experimental data, is first converted to Fine-Group (FG) libraries using a pre-defined or precalculated flux spectra, then, Broad-Group (BG) libraries are collapsed from the fine-group libraries using problem-dependent flux spectra. Proper treatments of energy and spatial self-shielding and resonance cross section are required in the CE-to-MG converting process Previously, we have developed a computer code, YGROUP, for fine-to-broad group cross section collapsing. To maintain high accuracy of the resulting BG libraries, YGROUP provides users several options on collapsing strategies and weighting schemes for group binning and evaluation of BG cross section data in users' specific problems.. An approach based on Particle Swarm Optimization was applied to automatically determine the optimal group structure. We also developed a hybrid weighting scheme to further improve BG library performance for Special Nuclear Materials (SNM) detection applications. In this work, a new computer code, PyGroup, has been developed to implement the PSO approach with an improved simulation-driven fitness function design that includes both response and forward/adjoint flux errors. Together with YGROUP, and deterministic transport code TITAN/PENMSHXP, the PyGroup code package is tested on a Dual Range Coincident Counter (DRCC) model. In this paper, we demonstrated the capability of the PyGroup code for group structure optimization using the DRCC detector model. In the future, an iteration scheme can be implemented to determine the number of broad groups based on a user-defined tolerance. we will also apply PyGroup to more complicated reactor models, and investigate physics-based fitness function designs to further reduce computational cost. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

A mathematical and numerical framework for the analysis of compressible thermal convection in gases at very high temperatures

The relevance of non-equilibrium phenomena, nonlinear behavior, gravitational effects and fluid compressibility in a wide range of problems related to high-temperature gas-dynamics, especially in thermal, mechanical and nuclear engineering, calls for a concerted approach using the tools of the kinetic theory of gases, statistical physics, quantum mechanics, thermodynamics and mathematical modeling in synergy with advanced numerical strategies for the solution of the Navier–Stokes equations. The reason behind such a need is that in many instances of relevance in this field one witnesses a departure from canonical models and the resulting inadequacy of standard CFD approaches, especially those traditionally used to deal with thermal (buoyancy) convection problems. Starting from microscopic considerations and typical concepts of molecular dynamics, passing through the Boltzmann equation and its known solutions, we show how it is possible to remove past assumptions and elaborate an algorithm capable of targeting the broadest range of applications. Moving beyond the Boussinesq approximation, the Sutherland law and the principle of energy equipartition, the resulting method allows most of the fluid properties (density, viscosity, thermal conductivity, heat capacity and diffusivity, etc.) to be derived in a rational and natural way while keeping empirical contamination to the minimum. Special attention is deserved as well to the well-known pressure issue. With the application of the socalled multiple pressure variables concept and a projection-like numerical approach, difficulties with such a term in the momentum equation are circumvented by allowing the hydrodynamic pressure to decouple from its thermodynamic counterpart. The final result is a flexible and modular framework that on the one hand is able to account for all the molecule (translational, rotational and vibrational) degrees of freedom and their effective excitation, and on the other hand can guarantee adequate interplay between molecular and macroscopic-level entities and processes. Performances are demonstrated by computing some incompressible and compressible benchmark test cases for thermal (gravitational) convection, which are then extended to the high-temperature regime taking advantage of the newly developed features.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng–Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young–Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young–Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young–Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Transcritical diffuse-interface hydrodynamics of propellants in high-pressure combustors of chemical propulsion systems

Rocket engines and high-power new generations of gas-turbine jet engines and diesel engines oftentimes involve the injection of one or more reactants at subcritical temperatures into combustor environments at high pressures, and more particularly at pressures higher than those corresponding to the critical points of the individual components of the mixture, which typically range from 13 to 50 bars for most propellants. This class of trajectories in the thermodynamic space has been traditionally referred to as transcritical. However, the fundamental understanding of fuel atomization, vaporization, mixing, and combustion processes at such high pressures remains elusive. In particular, whereas fuel sprays are relatively well characterized at normal pressures, analyses of dispersion of fuel in high-pressure combustors are hindered by the limited experimental diagnostics and theoretical formulations available. The description of the thermodynamics of hydrocarbon-fueled mixtures employed in chemical propulsion systems is complex and involves mixing-induced phenomena, including an elevation of the critical point whereby the coexistence region of the mixture extends up to pressures much larger than the critical pressures of the individual components. As a result, interfaces subject to surface-tension forces may persist in multicomponent systems despite the high pressures, and may give rise to unexpected spray-like atomization dynamics that are otherwise absent in monocomponent systems above their critical point. In this article, the current understanding of this phenomenon is reviewed within the context of propulsion systems fueled by heavy hydrocarbons. Emphasis is made on analytical descriptions at mesoscopic scales of interest for computational fluid dynamics. In particular, a set of modifications of the constitutive laws in the Navier–Stokes equations for multicomponent flows, supplemented with a high-pressure equation of state and appropriate redefinitions of the thermodynamic potentials, are introduced in this work based on an extended version of the diffuse-interface theory of van der Waals. The resulting formulation involves revisited forms of the stress tensor and transport fluxes of heat and species, and enables a description of the mesoscopic volumetric effects induced by transcritical interfaces consistently with the thermodynamic phase diagram of the mixture at high pressures. Additionally, applications of the theory are illustrated in canonical problems, including dodecane/nitrogen transcritical interfaces in non-isothermal systems. The results indicate that a transcritical interface is formed between the propellant streams that persists downstream of the injection orifice over distances of the same order as the characteristic thermal-entrance length of the fuel stream. The transcritical interface vanishes at an edge that gives rise to a fully supercritical mixing layer.

02 PETROLEUM↗
DOE OSTI2016

Moisture ingress into electronics enclosures under isothermal conditions

The number of electronics used in outdoor environment is constantly growing. The humidity causes about 19 % of all electronics failures and, especially, moisture increases these problems due to the ongoing process of miniaturization and lower power consumption of electronic components. Moisture loads are still not understood well by design engineers, therefore this field has become one of the bottlenecks in the electronics system design. The objective of this paper is to model moisture ingress into an electronics enclosure under isothermal conditions. The moisture diffusion model is based on a 1D quasi-steady state (QSS) approximation for Fick’s second law. This QSS approach is also described with an electrical analogy which gives a fast tool in modelling of the moisture response. The same QSS method is applied to ambient water vapour variations. The obtained results are compared to an analytical solution and very good agreement is found.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Reacceleration of Galactic Cosmic Rays beyond the Knee at the Termination Shock of a Cosmic-Ray-driven Galactic Wind

The origin of cosmic rays (CRs) above the knee in the spectrum is an unsolved problem. We present a wind model in which interstellar gas flows along a nonrotating, expanding flux tube with a changing speed and cross-sectional area. CRs from Galactic sources, such as supernova remnants, which are coupled to the plasma via Alfvén waves, provide the main pressure source for driving this outflow. These CRs are then subject to diffusive shock reacceleration at the Galactic wind termination shock, which is located at a distance ~200 kpc. Some of the highest-energy reaccelerated particles propagate upstream against the wind and can contribute to the petaelectronvolt to exaelectronvolt range of the spectrum. We analyze the conditions under which efficient reacceleration can occur and find that rigidities ~10–40 PV can be obtained and that the termination shock may account for between 10% and 50% of the proton spectrum measured in IceCube/IceTop experiment. In our model, the termination shock is unable to fully explain the CR spectrum in the petaelectronvolt to exaelectronvolt range. The highest-energy particles that escape downstream from our termination shock, and similar shocks surrounding most galaxies, can be further accelerated by intergalactic shock fronts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Pore-network model of evaporation-induced salt precipitation in porous media: The effect of correlations and heterogeneity

Salt transport and precipitation in porous media constitute a set of complex and fascinating phenomena that are of considerable interest to several important problems, ranging from storage of CO 2 in geological formations, to soil fertility, and protection of pavements and roads, as well as historical monuments. The phenomena occur at the pore scale and are greatly influenced by the heterogeneity of the pore space morphology. In this paper, we present a pore-network (PN) model to study the phenomena. Vapor diffusion, capillary effect at the brine-vapor interface, flow of brine, and transport of salt and its precipitation in the pores that plug the pores partially or completely are all accounted for. The drying process is modeled by the invasion percolation, while transport of salt in brine is accounted for by the convective-diffusion equation. We demonstrate that the drying patterns, the clustering and connectivity of the pore throats in which salt precipitation occurs, the saturation distribution, and the drying rate are all strongly dependent upon the pore-size distribution, the correlations among the pore sizes, and the anisotropy of the pore space caused by stratification that most natural porous media contain. In particular, if the strata are more or less parallel to the direction of injection of the gas that dries out the pore space (air, for example) and/or causes salt precipitation (CO 2 , for example), the drying rate increases significantly. Moreover, salt tends to precipitate in clusters of neighboring pores that are parallel to the open surface of the porous medium.

42 ENGINEERING↗
DOE OSTI2016

Time Resolved Optical Studies on The Plasmonic Field Enhancement of Bacteriorhodopsin Proton Photo-current: Final Technical Report Covering Aug 31, 2015–Aug 31, 2016

Our research continues to focus on the effects of plasmonic nanoparticles on organic and inorganic light-harvesting materials. Recent work has focused on the synthesis of stabilized gold nanoparticles to enhance the efficiency of dye-sensitized solar cells (DSSCs). Two major concerns in dye sensitized solar cells (DSSCs) are efficient light absorption and charge collection. Charge collection typically suffers because transport of electrons through the mesoporous TiO 2 substrate is slow. Thus, one obvious way to improve charge collection is to reduce the thickness of the TiO 2 . Alternatively, a form of TiO 2 with fewer grain boundaries, such as nanotubes, could be used in place of sintered nanospheres. Unfortunately, both of these solutions end up reducing the amount of surface area available to adsorb dye molecules. This directly reduces the percentage of photons absorbed. This problem could be avoided if dye molecules with larger absorption were designed; although synthetic chemists seem to be pushing the limits of what is achievable. Plasmonic nanoparticles offer an alternative way to boost light absorption. It is well known that plasmonic nanoparticles can enhance the local electric field of resonant frequencies of light. If this were in the same spectral region as the dye’s absorption band it would increase the percentage of absorbed photons. One concern is that if the nanoparticles are too close to the dye molecules they can quench the excited state. To avoid this problem, we prepared gold nanoparticles with a silica shell. This limited the amount of quenching while still permitting some enhancement of absorption. Unfortunately, we ran into some serious issues. The iodide based electrolyte etched the gold nanoparticles, completely dissolving them within a few hours. The silica shell should have provided protection but there were pinholes through which iodide could diffuse. Increasing the thickness of the silica to over 10 nm prevented etching but also limited any photon absorption enhancement.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Valuing catastrophe bonds involving correlation and CIR interest rate model

Natural catastrophes lead to problems of insurance and reinsurance industry. Classic insurance mechanisms are often inadequate for dealing with consequences of catastrophic events. Therefore, new financial instruments, including catastrophe bonds (cat bonds), were developed. In this paper we price the catastrophe bonds with a generalized payoff structure, assuming that the bondholder’s payoff depends on an underlying asset driven by a stochastic jump-diffusion process. Simultaneously, the risk-free spot interest rate has also a stochastic form and is described by the multi-factor Cox–Ingersoll–Ross model. We assume the possibility of correlation between the Brownian part of the underlying asset and the components of the interest rate model. Using stochastic methods, we prove the valuation formula, which can be applied to the cat bonds with various payoff functions. We use adaptive Monte Carlo simulations to analyze the numerical properties of the obtained pricing formula for various settings, including some similar to the practical cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Electrochemical-mechanical coupling failure mechanism of composite cathode in all-solid-state batteries

Composite cathode composed of active particles and solid electrolytes (SEs) can considerably enlarge the particle-SE contact areas and achieve high areal loadings in all-solid-state batteries (ASSBs). However, the challenging interfacial instability and particle damage problems remain unsolved. Herein, we establish a 3D electrochemical-mechanical coupled model to investigate the underlying failure mechanism by considering the governing electrochemical and physics processes. Micro-scale heterogeneous primary particles with random crystallographic orientation and size inside the LiNi 1/3 Co 1/3 Mn 1/3 O 2 (NCM111) secondary particle of the model result in the anisotropic Li diffusion and volume variation within the secondary particle, leading to significant nonuniformity of the Li concentration, and GPa-level stress distributions at primary particle boundaries, and finally causing the particle internal cracks. The particle volume shrinkage under the constraint of stiff Li 7 La 3 Zr 2 O 12 (LLZO) SE triggers the interface debonding (gap>50 nm) with increased interfacial impedance to degrade cell capacity. Higher C-rates result in larger residual stress (~100 MPa)/strain/debonding gap at dis-charging end, more likely to deteriorate the cell performance. Increasing the interfacial strength between the particle and SE can suppress the interface debonding but induces high stress (up to 10 GPa). In conclusion, results reveal the underlying mechanism of the electrochemical-mechanical coupling failure mechanism for composite cathode and provide promising guidance on the further improvement of a more robust composite cathode for ASSBs.

25 ENERGY STORAGE↗
DOE OSTI2016

GALACTIC COSMIC-RAY INTENSITY MODULATION BY COROTATING INTERACTION REGION STREAM INTERFACES AT 1 au

We present a new model that couples galactic cosmic-ray (GCR) propagation with magnetic turbulence transport and the MHD background evolution in the heliosphere. The model is applied to the problem of the formation of corotating interaction regions (CIRs) during the last solar minimum from the period between 2007 and 2009. The numerical model simultaneously calculates the large-scale supersonic solar wind properties and its small-scale turbulent content from 0.3 au to the termination shock. Cosmic rays are then transported through the background, and thus computed, with diffusion coefficients derived from the solar wind turbulent properties, using a stochastic Parker approach. Our results demonstrate that GCR variations depend on the ratio of diffusion coefficients in the fast and slow solar winds. Stream interfaces inside the CIRs always lead to depressions of the GCR intensity. On the other hand, heliospheric current sheet (HCS) crossings do not appreciably affect GCR intensities in the model, which is consistent with the two observations under quiet solar wind conditions. Therefore, variations in diffusion coefficients associated with CIR stream interfaces are more important for GCR propagation than the drift effects of the HCS during a negative solar minimum.

79 ASTRONOMY AND ASTROPHYSICS↗