Diffusion Front Research Articles

Strain-based diffusion solver for realistic representation of diffusion front in physical reactions.

When simulating fluids, such as water or fire, interacting with solids, it is a challenging problem to represent details of diffusion front in physical reaction. Previous approaches commonly use isotropic or anisotropic diffusion to model the transport of a quantity through a medium or long interface. We have identified unrealistic monotonous patterns with previous approaches and therefore, propose to extend these approaches by integrating the deformation of the material with the diffusion process. Specifically, stretching deformation represented by strain is incorporated in a divergence-constrained diffusion model. A novel diffusion model is introduced to increase the global rate at which the solid acquires relevant quantities, such as heat or saturation. This ensures that the equations describing fluid flow are linked to the change of solid geometry, and also satisfy the divergence-free condition. Experiments show that our method produces convincing results.

Steady-State Creep of a Composite Rod in Tension in the Presence of an Aggressive Environment

The stress-strain state of a composite tensile rod in creep under conditions of an aggressive environment is investigated. The creep of each part of the rod is described by a power-type model with different parameters. The effect of the aggressive environment is determined by the diffusive penetration of its elements into the material of the rod. To solve the diffusion equation, an approximate method based on introduction of the diffusion front is used. The distribution of stresses in time is analyzed provided the aggressive environment penetrates into different parts of the rod with different diffusion coefficients. Conditions at which the values of stresses in parts of the rod come closer or diverge in time, are obtained. The characteristic parameters of the diffusion and creep processes are determined. The graphs of time-dependent stresses are constructed for different parts of the rod with account of the conditions found.

Oxidative dissolution under the channel leads geomorphological evolution at the Shale Hills catchment

The hydrologic connectivity between hillslopes and streams impacts the geomorphological evolution of catchments. Here, we propose a conceptual model for hydrogeomorphological evolution of the Susquehanna Shale Hills Critical Zone Observatory (SSHCZO), a first-order catchment developed on shale in central Pennsylvania, U.S.A. At SSHCZO, the majority of available water (the difference between incoming meteoric water and outgoing evapotranspiration) flows laterally to the catchment outlet as interflow, while the rest is transported by regional groundwater flow. Interflow, shallow hillslope flow, is limited to the upper 5 to 8 m of highly fractured bedrock, thought to have formed during periglacial conditions in the late Pleistocene. In contrast, groundwater flowpaths are influenced by the primary permeability of the varying stratigraphic units. Both flowpaths respond to weathering-related secondary permeability. O2-rich interflow mixes with deep O2-poor groundwater under the catchment outlet at depths of 5–8 m. Penetration of this oxygenated interflow under the valley results in pyrite oxidation, release of sulfuric acid, dissolution of minerals, and weakening of bedrock. This is hypothesized to enhance channel incision and, in turn, to promote drainage of deep groundwater from the ridges. Drainage subsequently lowers the catchment water table, advancing the cascade of reactions that produce regolith. Weathering in the catchment is characterized by both sharp and diffuse reaction fronts. Relatively sharp fronts (pyrite, carbonate) mark where vertical, unsaturated flow changes to horizontal, saturated flow, while diffuse fronts (illite, chlorite, feldspar) mark where flow is largely vertical and unsaturated. According to this model, catchment morphology reflects subsurface pyrite reactions due to mixing of interflow and groundwater flow under the valley floor that ultimately results in clay weathering and regolith production nearer the land surface.

Scaling relations in the diffusive infiltration in fractals.

In a recent work on fluid infiltration in a Hele-Shaw cell with the pore-block geometry of Sierpinski carpets (SCs), the area filled by the invading fluid was shown to scale as F∼t^{n}, with n<1/2, thus providing a macroscopic realization of anomalous diffusion [Filipovitch et al., Water Resour. Res. 52, 5167 (2016)WRERAQ0043-139710.1002/2016WR018667]. The results agree with simulations of a diffusion equation with constant pressure at one of the borders of those fractals, but the exponent n is very different from the anomalous exponent ν=1/D_{W} of single-particle diffusion in the same fractals (D_{W} is the random-walk dimension). Here we use a scaling approach to show that those exponents are related as n=ν(D_{F}-D_{B}), where D_{F} and D_{B} are the fractal dimensions of the bulk and the border from which diffusing particles come, respectively. This relation is supported by accurate numerical estimates in two SCs and in two generalized Menger sponges (MSs), in which we performed simulations of single-particle random walks (RWs) with a rigid impermeable border and of a diffusive infiltration model in which that border is permanently filled with diffusing particles. This study includes one MS whose external border is also fractal. The exponent relation is also consistent with the recent simulational and experimental results on fluid infiltration in SCs, and explains the approximate quadratic dependence of n on D_{F} in these fractals. We also show that the mean-square displacement of single-particle RWs has log-periodic oscillations, whose periods are similar for fractals with the same scaling factor in the generator (even with different embedding dimensions), which is consistent with the discrete scale invariance scenario. The roughness of a diffusion front defined in the infiltration problem also shows this type of oscillation, which is enhanced in fractals with narrow channels between large lacunas.

Evaluation of the effects of 3D diffusion, crystal geometry, and initial conditions on retrieved time-scales from Fe–Mg zoning in natural oriented orthopyroxene crystals

Volcano petrologists and geochemists increasingly use time-scale determinations of magmatic processes from modeling the chemical zoning patterns in crystals. Most determinations are done using one-dimensional traverses across a two-dimensional crystal section. However, crystals are three-dimensional objects with complex shapes, and diffusion and re-equilibration occurs in multiple dimensions. Given that we can mainly study the crystals in two-dimensional petrographic thin sections, the determined time-scales could be in error if multiple dimensional and geometrical effects are not identified and accounted for. Here we report the results of a numerical study where we investigate the role of multiple dimensions, geometry, and initial conditions of Fe–Mg diffusion in an orthopyroxene crystal with the view towards proper determinations of time scales from modeling natural crystals.We found that merging diffusion fronts (i.e. diffusion from multiple directions) causes ‘additional’ diffusion that has the greatest influence close to the crystal’s corners (i.e. where two crystal faces meet), and with longer times the affected area widens. We also found that the one-dimensional traverses that can lead to the most accurate calculated time-scales from natural crystals are along the b- crystallographic axis on the ab-plane when model inputs (concentration and zoning geometry) are taken as measured (rather than inferred from other observations). More specifically, accurate time-scales are obtained if the compositional traverses are highly symmetrical and contain a concentration plateau measured through the crystal center. On the other hand, for two-dimensional models the ab- and ac-planes are better suited if the initial (pre-diffusion) concentration and zoning geometry inputs are known or can be estimated, although these are a priory unknown, and thus, may be difficult to use in practical terms.We also found that under certain conditions, a combined one-dimensional and two-dimensional model performed on the ab-section can reveal the initial (pre-diffusional) concentration, and thus, offer a unique opportunity to recover lost petrologic information. The influence of three-dimensional diffusion on the one-dimensional two-dimensional model estimates is the combined result of the crystal shape, in particular the presence of facets, and somewhat of the aspect ratio. Our study focuses on Fe–Mg in orthopyroxene, but many of the effects we report are also applicable to other minerals and elements.

Single-step metal-organic vapor-phase diffusion for low-dark-current planar-type avalanche photodiodes

In this paper, a p-type diffusion process based literally on single-step metal-organic vapor-phase diffusion (MOVPD) employing diethyl zinc as the diffusion source in combination with the recessetching technique is developed to improve the dark-current characteristics of planar-type avalanche photodiodes (APDs). The developed single-step MOVPD process exhibits on excellent linear relationship between the diffusion depth and the square root of the diffusion time, which mainly results from maintaining constant source diffusion. The single-step MOVPD process without any additional thermal activation process achieves a surface doping concentration of 1.9 × 1018 cm -3, which is sufficient to form ohmic contact. The measured diffusion profiles of the APDs clearly reveal the presence of a two-dimensional diffusion front formed by the recess-etched and guard-ring regions. The impact of this p-type diffusion process on the performance of the APD devices has also been demonstrated by exhibiting improved dark-current characteristics for the fabricated APDs.

Application of meshless local integral equations for two-dimensional transient coupled hygrothermoelasticity analysis: Moisture and thermoelastic wave propagations under shock loading

ABSTRACTThis work develops the application of meshless local integral equations based on the meshless local Petrov–Galerkin (MLPG) method for two-dimensional (2D) coupled hygrothermoelasticity analysis. A unit Heaviside step function is used as the test function in the local weak forms. The analyzed domain is divided into some small subdomains with a circular shape. The radial basis functions are used for approximation of the spatial variation of field variables. For discretization of time variations, the Laplace transform technique is used. The moisture concentration diffuses through 2D domain with a finite speed similar to thermoelastic waves. The propagation of moisture diffusion, temperature, and elastic waves is obtained and discussed at various time instants. The MLPG method has a high capability to track the moisture diffusion, elastic and thermal wave fronts at every arbitrary time instant in 2D domain. The distribution profiles of moisture concentration, temperature, and displacements along two orthogonal directions are illustrated at various time instants.

Pressure/flow modeling and induced seismicity resulting from two decades of high-pressure deep-well brine injection, Paradox Valley, Colorado

The Bureau of Reclamation operates a deep injection well near Paradox Valley, Colorado. Intermittent injection testing began in 1991, followed by near-continuous injection since 1996. Daily average injection flow rates and surface injection pressures have been recorded since 1991, and seismicity has been monitored since 1985. Before the injection flow rate was decreased in 2013 in response to the largest induced earthquake to date, observed wellhead pressures were increasing and approaching the maximum permitted pressure. Potential solutions were needed to provide long-term reductions in wellhead pressures and to minimize the occurrence of future large-magnitude induced earthquakes. A key step in this process is to establish whether the trend of increasing pressures is more likely caused by far-field reservoir pressurization or near-well flow impairment. The spatiotemporal occurrence of induced seismicity is fit relatively well by a 1D diffusive triggering front relationship, suggesting that the reservoir can be modeled as a porous medium. Simple 1D, uncoupled porous models are therefore used to analyze the wellhead pressure response for the period of long-term injection. These simple models are found to provide a reasonable fit to the pressure/flow data. We did not observe the expected changes in the model parameters that would indicate significant near-well flow impairment, and thus we have concluded that the observed pressure increase is more likely related to far-field pressurization. Somewhat surprisingly, given the complex geologic structure and the heterogeneity in the locations of induced seismicity, the analysis demonstrates the ability of a simple radially symmetric porous model to fit the pressure/flow data in the near-well area (within approximately 2 km). Although the induced seismicity data suggest significant heterogeneity, the daily average wellhead pressure/flow data are insensitive to these features. In the absence of additional constraints, use of more complicated models is unlikely to produce substantial additional benefit for modeling in the near-well area.

Influence of the cross-sectional shape of tensile bars on their creep rupture strength in a corrosive medium

The creep rupture strength of tensile bars in a corrosive medium is studied. The time to failure of the bars is analyzed as a function of their cross-sectional shape. It is shown that the influence of the corrosive medium on the creep rupture strength of the bars is determined by the diffusion of its elements into the bar material, resulting in a decrease in its creep rupture strength. The diffusion of the corrosive medium into a bar is studied using an approximate method for solving the diffusion equation taking into account the motion of the diffusion front. Bars with different cross-sectional shapes are considered using Rabotnov kinetic theory. It is shown that at the same tensile stress, the bar with a circular cross-section has minimum time to failure.

Self-acceleration of cellular flames and laminar flame speed of syngas/air mixtures at elevated pressures

Experimental study on the self-acceleration characteristics and laminar flame speed of CO/H2/air mixtures was conducted at elevated pressures up to 0.6 MPa with spherical outwardly expanding flames. Experimental conditions for the CO/H2/air mixtures of hydrogen fraction in syngas from 0.2 to 0.8, the pressures from 0.4 to 0.6 MPa and equivalence ratios from 0.5 to 1.0. At elevated pressures, the cellular structure occurs on the early stage of the flame development due to the significant influences of thermal diffusive and hydrodynamic instabilities and flame front was accelerated. Critical radius after which flame front becomes unstable decreases with H2 content in the fuel mixtures. For syngas mixtures with higher H2 content, critical radius increases with the increase of the equivalence ratio. Critical radius decreases with the increase of the equivalence ratio for the mixture with lower H2 content. Critical Peclet number, which is defined as the ratio of critical radius to flame thickness increases firstly and then decreases with H2 content for the mixtures with higher equivalence ratios and decreases all the time for the mixture with lower ones. In addition, the acceleration exponent which indicates the acceleration characteristics when flame front becomes unstable increases with the flame front propagation and is not the same with that of the turbulent flame. At last, an updated method, which excludes the acceleration effect of the cellular structure on the stretched flame speed at various flame radii has been proposed. It will help to obtain the laminar flame speed for fuel/air mixtures at elevated pressures with small time region between the end of the ignition spark and the onset of flame instability. This updated model replaces the experimental determined exponential term of the fractal structure and the updated intrinsic flame instability model. The measured laminar flame speed data are compared and analyzed with those predicted by Davis and Li mechanisms of syngas.

Geodetically constrained models of viscoelastic stress transfer and earthquake triggering along the North Anatolian fault

AbstractOver the past 80 years, 8 MW &gt; 6.7 strike‐slip earthquakes west of 40° longitude have ruptured the North Anatolian fault (NAF) from east to west. The series began with the 1939 Erzincan earthquake in eastern Turkey, and the most recent 1999 MW = 7.4 Izmit earthquake extended the pattern of ruptures into the Sea of Marmara in western Turkey. The mean time between seismic events in this westward progression is 8.5 ± 11 years (67% confidence interval), much greater than the timescale of seismic wave propagation (seconds to minutes). The delayed triggering of these earthquakes may be explained by the propagation of earthquake‐generated diffusive viscoelastic fronts within the upper mantle that slowly increase the Coulomb failure stress change ( CFS) at adjacent hypocenters. Here we develop three‐dimensional stress transfer models with an elastic upper crust coupled to a viscoelastic Burgers rheology mantle. Both the Maxwell (ηM = 4 × 1018−1 × 1019 Pa s) and Kelvin (ηK = 1 × 1018−1 × 1019 Pa s) viscosities are constrained by studies of geodetic observations before and after the 1999 Izmit earthquake. We combine this geodetically constrained rheological model with the observed sequence of large earthquakes since 1939 to calculate the time evolution of CFS changes along the North Anatolian fault due to viscoelastic stress transfer. Apparent threshold values of mean CFS at which the earthquakes in the eight decade sequence occur are between ∼0.02 to ∼3.15 MPa and may exceed the magnitude of static CFS values by as much as 177%. By 2023, we infer that the mean time‐dependent stress change along the northern NAF strand in the Marmara Sea near Istanbul, which may have previously ruptured in 1766, may reach the mean apparent time‐dependent stress thresholds of the previous NAF earthquakes.

A Synthetic Replicator Drives a Propagating Reaction-Diffusion Front.

A simple synthetic autocatalytic replicator is capable of establishing and driving the propagation of a reaction-diffusion front within a 50 μL syringe. This replicator templates its own synthesis through a 1,3-dipolar cycloaddition reaction between a nitrone component, equipped with a 9-ethynylanthracene optical tag, and a maleimide. Kinetic studies using NMR and UV-vis spectroscopies confirm that the replicator forms efficiently and with high diastereoselectivity, and this replication process brings about a dramatic change in optical properties of the sample-a change in the color of the fluorescence in the sample from yellow to blue. The addition of a small amount of the preformed replicator at a specific location within a microsyringe, filled with the reaction building blocks, results in the initiation and propagation of a reaction-diffusion front. The realization of a replicator capable of initiating a reaction-diffusion front provides a platform for the examination of interconnected replicating networks under out-of-equilibrium conditions involving diffusion processes.

Axial stress localization facilitates pressure propagation in gelled pipes

Paraffin wax-oil gels are unique rheological fluids which undergo shear degradation starting at a deformation (shear strain level) of approximately 1%. Flow commencement in pipelines filled with wax-oil gels is a complex hydrodynamic process involving propagation of acoustic, diffusive, and rheological degradation pressure wave fronts. Dynamic simulation informed by qualified rheological relations provides useful insight into the physical nature of these flow processes. Eulerian simulations are presented which emulate known physical phenomena and essential characteristics of wax-gel flow dynamics. A constitutive rheological equation set accounts for deformation-driven reduction in yield stress and viscosity terms. No explicit time-dependent rheological parameters are utilized in the equations. Rheological yielding alters the nature of the dominant pressure wave from inherently diffusive towards self-sharpening. Axial stress localization effectively sequentializes the gel breakage process, quantified by reduced length of the pressure wave-front zone. Ultimately, axial stress localization allows flow in longer pipe segments, albeit with a concomitant time delay. Viscous behavior and yielding degradation behavior are shown to account for upward and downward concavity in transient axial pressure profiles, respectively. Overall, a unique synergy between gel compressibility and gel degradation is revealed. Deformation-coupled interaction between compressibility and degradation allows pressure propagation and subsequent sustained flow through a gel material which is otherwise immobile in the incompressible case.

2G13 軸索分離・誘導のための濃度勾配生成デバイス

We have developed a cast microfluidic chip that contains a thin (〜0.5 μm wide) microchannel that is smoothly connected to thick microfluidics. The thin line features having high aspect ratio for a low-cost photolithography in which an emulsion photomask was used (1:1〜1:3) were fabricated by exposing SU-8 photoresist to diffused 185 nm UV light emitted by a low-cost ozone lamp from the backside of the substrate to ensure sufficient crosslinking of small regions of the SU-8 photoresist. An T-shaped microfluidic configuration was used, in which the thin channel maintained constant diffusion fronts beyond purely static diffusion. T-head-formed microfluid constitution was used, in which we performed the evaluation that the thin waterway could maintain the constant concentration gradient across the totally static spread. By using this device, we can generate the concentration gradient, and maintain the concentration gradient for 6days. This result was caused by hydrostatic pressure at reservoir. We may be able to control the concentration gradient condition by controlling hydrostatic pressure.

Minimal alteration of montmorillonite following long-term interaction with natural alkaline groundwater: Implications for geological disposal of radioactive waste

Bentonite is one of the more safety-critical components of the engineered barrier system in the disposal concepts developed for many types of radioactive waste. Bentonite is utilised because of its favourable properties which include plasticity, swelling capacity, colloid filtration, low hydraulic conductivity, high retardation of key radionuclides and stability in geological environments of relevance to waste disposal. However, bentonite is unstable under the highly alkaline conditions induced by Ordinary Portland Cement (OPC: initial porewater pH > 13) and this has driven interest in using low alkali cements (initial porewater pH9-11) as an alternative to OPC. To build a robust safety case for a repository for radioactive wastes, it is important to have supporting natural analogue data to confirm understanding of the likely long-term performance of bentonite in these lower alkali conditions. In Cyprus, the presence of natural bentonite in association with natural alkaline groundwater permits the zones of potential bentonite/alkaline water reaction to be studied as an analogy of the potential reaction between low alkali cement leachates and the bentonite buffer in the repository. Here, the results indicate that a cation diffusion front has moved some metres into the bentonite whereas the bentonite reaction front is restricted to a few millimetres into the clay. This reaction front shows minimal reaction of the bentonite (volumetrically, less than 1% of the bentonite), with production of a palygorskite secondary phase following reaction of the primary smectites over time periods of 105–106 years.

Bistable transition fronts in [formula omitted

This paper is chiefly concerned with qualitative properties of some reaction–diffusion fronts. The recently defined notions of transition fronts generalize the standard notions of traveling fronts. In this paper, we show the existence and the uniqueness of the global mean speed of bistable transition fronts in RN. This speed is proved to be independent of the shape of the level sets of the fronts. The planar fronts are also characterized in the more general class of almost-planar fronts with any number of transition layers. These qualitative properties show the robustness of the notions of transition fronts. But we also prove the existence of new types of transition fronts in RN that are not standard traveling fronts, thus showing that the notions of transition fronts are broad enough to include other relevant propagating solutions.

The Effect of Solute Immobilization on a Stability of a Diffusion Front in Porous Media Under Gravity Field

In the present paper, we consider the effect of solute immobilization on a stability of planar diffusion front in gravity field. The case when heavy admixture diffuses from upper boundary into a bulk of semi-infinite domain of porous medium is investigated. In this situation, the base state formed by the diffusion corresponds to the layer of heavier liquid located above the lighter one. This unsteady base state is potentially unstable to the Rayleigh–Taylor fingering instability of front. The instability conditions are examined using the quasi-static method within the fMIM diffusion model. It is found that the immobilization results in the increase in the critical time for instability significantly, whereas the effect of immobilization on the critical wave number is weak. The stability maps in the parameter space are obtained.

A new experimental system for combinatorial exploration of foaming of polymers in carbon dioxide: The gradient foaming of PMMA

A unique foaming system has been developed to explore the consequences of different pressures and temperatures employed in foaming of polymers in supercritical carbon dioxide. The cell employs a temperature gradient field extending over 25cm. It thereby generates a continuum of temperatures to which a long strip of polymer is exposed at a given CO2 pressure in a single experiment. It allows a powerful combinatorial approach to explore foaming. This manuscript describes the experimental system and demonstrates its utility in gradient foaming of polymers using long strips (25cm) of poly(methyl methacrylate) in thick sheet (2.1mm) and thin film (100μm) forms at nominal pressures of 14, 21, 28, 35MPa under an imposed temperature gradient extending over 25cm with a temperature difference from 40°C to 125°C. By generating a rich array of sections foamed at different temperatures at a given pressure, the experimental approach provides new insights not only on the pore formation and growth as a function of pressure and temperature, but also on the importance of other factors such as the time allowed or needed for CO2 sorption and escape, and the changes in the softening and vitrification state of the polymer that are important in cell nucleation, growth, or collapse. Progress of the diffusion front, which is readily identified as the boundary between the plasticized and glassy domains, is documented which provides an assessment of the diffusion coefficient as a function of temperature at a given pressure, and as a function of pressure at a given temperature.

A Geological Model for the Origin of Fluid Compositional Gradients in a Large Saudi Arabian Oilfield: An Investigation by Two-Dimensional Gas Chromatography (GC × GC) and Asphaltene Chemistry

The heavy oil rim of a large Saudi Arabian oilfield has been shown to be in vertical and lateral equilibrium, matching predictions of the gravity term from the Flory–Huggins–Zuo equation of state for asphaltenes in the form of 5.2 nm clusters of the Yen–Mullins model. The large (10×) vertical gradient of asphaltene concentration over a very large perimeter (≫10 km) of the oilfield provided a stringent test of this equation-of-state fit. Two-dimensional gas chromatography (GC × GC) and stable isotope analysis (δ D and δ 13C) were used to determine the consistency of the liquid-phase components with equilibration and the effects of biodegradation or thermal maturity on the observed asphaltene gradient. These analyses confirm homogeneity of equilibrated liquid-phase components of similar chemical character and equilibrated asphaltene isotopes. Biodegradation is minimal and there is no maturity variation among the samples. Thus, the large asphaltene gradient did not result from these secondary processes and is not a remnant from how the reservoir was charged with crude oil. The results are consistent with original findings that the oil column is equilibrated. Thermodynamic equilibration over such large distances (>10 km) requires convective currents and provides constraints on fluid dynamic processes in reservoirs. A simple one-dimensional (1-D) three-component single-phase model is introduced to account for asphaltene accumulation by way of convective currents established from a diffusive gas front at the top of the oil column.

Modeling the Mechanical and Electrochemical Response of All-Solid-State Lithium-Ion Batteries

All-solid-state rechargeable lithium-ion batteries have attracted much interest recently for applications of much larger scale than previous thin-film batteries. The replacement of an organic liquid electrolyte with a non-flammable inorganic solid electrolyte (SE) may simplify battery design and improve safety and durability [2]. However, in all-solid cells, the battery life depends in large measure on the mechanical integrity of the composite system [1]. A suitable theory to identify the electro-chemo-mechanical limits of Li-ion batteries performance in realistic electrode-electrolyte configurations is therefore required. In this work, a fully coupled electro-chemo-mechanical model is developed to facilitate the mesoscale optimization of such composite microstructures. A key development in all-solid-state batteries has been the discovery of solid electrolytes with high Li+ ion conductivity at room temperature comparable to that of organic liquid electrolytes [3, 4, 5]. These have been tested with numerous electrode active materials.The durability of a coherent solid-solid interface between electrode and electrolyte is likely to be an important consideration. Notwithstanding the several techniques investigated to increase the contact area at the interface [6], interface cohesion and its effects on the rate capability and the overall performance throughout the expected life cycles needs to be maintained. In the present research, we develop a nonlinear continuum model able to account for the combined effects of Li diffusion and for the consequent volumetric expansion of the hosting material. The electrode and electrolyte are idealized as elastic materials with elastic properties varying with lithium concentration. The complexity and the multi-physical nature of the problem require numerical modeling strategies and pose several challenges. To address this, we have established a computational framework based on large deformation kinematics and posed in a thermodynamically consistent fashion. The model is implemented in an in-house, object oriented C++ numerical code that incorporates three-dimensional finite element calculations. The numerical analysis allows for delamination at the interface between electrode particles and solid electrolyte. Crack formation and propagation is predicted by means of a cohesive zone model extended to include decreased Li flux across interfaces due to their loss of mechanical integrity. Our simulations indicate trends of mechanical reliability of all-solid state batteries realized with some of the most promising solid electrolyte materials (e.g. Li2S-P2S5 [1], LIPON [3], garnet SE [7]), using mechanical properties available in literature. When physical values for the solid electrolyte’s mechanical behavior are not available, the simulations indicate trends of how mechanical reliability correlates with the battery design and operating conditions (i.e., charging rate). Acknowledgments The work was supported by the grant DE-SC0002633 funded by the U.S. Department of Energy, Office of Science. Keywords Lithium ion batteries, All-solid-state batteries, Nonlinear continuum mechanics; Diffusion; Thermodynamics References [1] A. Hayashi, K. Noi, A. Sakuda, and M. Tatsumisago. Superionic glass-ceramic electrolytes for room-temperature rechargeable sodium batteries. Nature Communications, 3, 2012. [2] K. Takada. Progress and prospective of solid-state lithium batteries. Acta Materialia, 61(3):759 – 770, 2013. [3] J.B Bates, N.J. Dudney, B. Neudecker, A. Ueda, and C.D. Evans. Thin-film lithium and lithium-ion batteries. Solid State Ionics, 135(1 - 4):33 – 45, 2000. [4] Y. Seino, T. Ota, K. Takada, A. Hayashi, and M. Tatsumisago. A sulphide lithium super ion conductor is superior to liquid ion conductors for use in rechargeable batteries. Energy Environ. Sci., 7:627–631, 2014. [5] N. Kamaya, K. Homma, Y. Yamakawa, M. Hirayama, R. Kanno, M. Yonemura, T. Kamiyama, Y. Kato, S. Hama, K. Kawamoto, and A. Mitsui. A lithium superionic conductor. Nature materials, 10(9):682–6, September 2011. [6] M. Tatsumisago, M. Nagao, and A. Hayashi. Recent development of sulfide solid electrolytes and interfacial modification for all-solid-state rechargeable lithium batteries. Journal of Asian Ceramic Societies, 1(1):17 – 25, 2013. [7] E. Rangasamy, J. Wolfenstine, and J. Sakamoto. The role of Al and Li concentration on the formation of cubic garnet solid electrolyte of nominal composition Li7La3Zr2O12. Solid State Ionics, 206(0):28 – 32, 2012. Figure 1: Simulation of a composite all-solid Li-ion battery microstructure upon lithiation. The diffusion fronts (white lines) appear perturbed due to partial delamination of the interface between electrode particles and solid electrolyte. Figure 1