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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
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MARS 2020 Backshell Radiative Heating Measurement and Shock Tube Verification

In February 2021, the Perseverance rover was brought to the surface of Mars by the Mars 2020 mission. A feature of the Mars 2020 capsule was instrumentation to measure its entry, descent and landing (EDL) with the so-called Mars EDL Instrumentation 2 (MEDLI2) [1]. The MEDLI2 introduced, among other things, backshell instrumentation, including a broadband radiometer. The radiometer was mounted on the leeside of the vehicle next to thermocouple plugs and a heat flux gauge. The data returned by the leeside MEDLI2 heat flux gauge is largely analogous to that measured by the COMARS gauge flown on the ExoMars Schiaparelli [2] entry in that it is measuring heat flux in an area that is entirely dominated by radiative heating. The COMARS measurement provided excellent validation of backshell radiative heating models for Mars entry, albeit at a limited number of points [3]. The MEDLI2 heat flux gauge measurement effectively confirmed the quality of the prediction, extended over the full trajectory, as will be presented in this paper. The MEDLI2 radiometer,however, was blocked by ablation products and suffered a loss of half of its signal. The second backshell heat flux gauge installed on the windside of the vehicle was also well predicted, although the heating had both radiative and convective contributions. It was desired to reproduce the conditions of the Mars 2020 entry via ground testing in the Electric Arc Shock Tube (EAST) at NASA Ames. Tests to verify stagnation line heating were previously reported in EAST, confirming the presence of shock layer radiation as the major discrepancy in heatshield temperature modelling [4]. Therefore, tests for stagnation line heating were not repeated. Instead, the shock tube informed bias method [5, 6] was used to identify test conditions that may produce similarity to streamlines that pass around the backside of the vehicle and are responsible for the radiation observed at the two heat flux gauge locations. This method was used to identify a range of velocities and densities in the shock tube that are relevant for confirming the radiative environment encountered. This paper reports the results obtained in the 10 cm diameter EAST shock tube, corresponding to later trajectory points at ambient pressures of 1.1-2.0 Torr and velocities from 1.2-3.5 km/s. The test series employed two primary diagnostics: emission spectroscopy and tunable diode laser absorption spectroscopy (TDLAS). The emission spectroscopy performed broadband measurements of the radiative emission of the 4.3 and 2.7 m bands of CO2 at flight similar conditions, obtaining both spectral and spatial data corresponding to the relaxation behind the shock front. The TDLAS measured the absorption of several lines of CO and CO2 and obtains species number densities and temperatures as a function of time behind the shock front. This paper will review highlights of this test series and analyses of the emission and absorption data. While the datasets generally show good agreement with predictions, a few discrepancies and items for additional investigation are identified and will be discussed

Brett A Cruden↗
DOE OSTI2016

Electron phonon coupling in Ni-based binary alloys with application to displacement cascade modeling

Energy transfer between lattice atoms and electrons is an important channel of energy dissipation during displacement cascade evolution in irradiated materials. On the assumption of small atomic displacements, the intensity of this transfer is controlled by the strength of electron–phonon (el–ph) coupling. The el–ph coupling in concentrated Ni-based alloys was calculated using electronic structure results obtained within the coherent potential approximation. It was found that Ni 0.5 Fe 0.5 , Ni 0.5 Co 0.5 and Ni 0.5 Pd 0.5 are ordered ferromagnetically, whereas Ni 0.5 Cr 0.5 is nonmagnetic. Since the magnetism in these alloys has a Stoner-type origin, the magnetic ordering is accompanied by a decrease of electronic density of states at the Fermi level, which in turn reduces the el–ph coupling. Thus, the el–ph coupling values for all alloys are approximately 50% smaller in the magnetic state than for the same alloy in a nonmagnetic state. As the temperature increases, the calculated coupling initially increases. After passing the Curie temperature, the coupling decreases. The rate of decrease is controlled by the shape of the density of states above the Fermi level. Introducing a two-temperature model based on these parameters in 10 keV molecular dynamics cascade simulation increases defect production by 10–20% in the alloys under consideration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Velocity and pressure characteristics of a model SSME high pressure fuel turbopump

Under the present effort an experiment rig has been constructed, an instrumentation package developed and a series of mean and rms velocity and pressure measurements made in a turbopump which modelled the first stage of the Space Shuttle Main Engine (SSME) High Pressure Fuel Turbopump. The rig was designed so as to allow initial experiments with a single configuration consisting of a bell-mouth inlet, a flight impeller, a vaneless diffuser and a volute. Allowance was made for components such as inlet guide vanes, exit guide vanes, downstream pumps, etc. to be added in future experiments. This flexibility will provide a clear baseline set of experiments and allow evaluation in later experiments of the effect of adding specific components upon the pump performance properties. The rotational speed of the impeller was varied between 4260 and 7680 rpm which covered the range of scaled SSME rotation speeds when due allowance is made for the differing stagnation temperature, model to full scale. The results at the inlet obtained with rotational speeds of 4260, 6084 and 7680 rpm showed that the axial velocity at the bell-mouth inlet remained roughly constant at 2.2 of the bulk velocity at the exit of the turbopump near the center of the inlet, but it decreased rapidly with increasing radius at all three speeds. Reverse flow occurred at a radius greater than 0.9 R for all three speeds and the maximum negative velocity reduced from 1.3 of the bulk velocity at the exit of the turbopump at 4260 rpm to 0.35 at 7680 rpm, suggesting that operating at a speed closer to the design condition of 8700 rpm improved the inlet characteristics. The reverse flow caused positive prerotation at the impeller inlet which was negligibly small near the center but reached 0.7 of the impeller speed at the outer annulus. The results in the diffuser and the volute obtained at 7680 rpm show that the hub and shroud walls of the diffuser were characterized by regions of transient reverse flow with negative revolution-averaged velocity of 8 percent of the maximum forward revolution-averaged velocity at the center of the diffuser passage near the shroud wall.

Tse, D. G-N.↗
DOE OSTI2019

Role of initial magnetic disorder: A time-dependent ab initio study of ultrafast demagnetization mechanisms

Despite more than 20 years of development, the underlying physics of the laser-induced demagnetization process is still debated. We present a fast, real-time time-dependent density functional theory (rt-TDDFT) algorithm together with the phenomenological atomic Landau-Lifshitz-Gilbert model to investigate this problem. Our Hamiltonian considers noncollinear magnetic moment, spin-orbit coupling (SOC), electron-electron, electron-phonon, and electron-light interactions. The algorithm for time evolution achieves hundreds of times of speedup enabling calculation of large systems. Our simulations yield a demagnetization rate similar to experiments. We found that (i) the angular momentum flow from light to the system is not essential and the spin Zeeman effect is negligible. (ii) The phonon can play a role but is not essential. (iii) The initial spin disorder and the self-consistent update of the electron-electron interaction play dominant roles and enhance the demagnetization to the experimentally observed rate. The spin disorder connects the electronic structure theory with the phenomenological three-temperature model.

36 MATERIALS SCIENCE↗
DOE OSTI2012

A study of fast electron energy transport in relativistically intense laser-plasma interactions with large density scalelengths

A systematic experimental and computational investigation of the effects of three well characterized density scalelengths on fast electron energy transport in ultra-intense laser-solid interactions has been performed. Experimental evidence is presented which shows that, when the density scalelength is sufficiently large, the fast electron beam entering the solid-density plasma is best described by two distinct populations: those accelerated within the coronal plasma (the fast electron pre-beam) and those accelerated near or at the critical density surface (the fast electron main-beam). The former has considerably lower divergence and higher temperature than that of the main-beam with a half-angle of {approx}20 Degree-Sign . It contains up to 30% of the total fast electron energy absorbed into the target. The number, kinetic energy, and total energy of the fast electrons in the pre-beam are increased by an increase in density scalelength. With larger density scalelengths, the fast electrons heat a smaller cross sectional area of the target, causing the thinnest targets to reach significantly higher rear surface temperatures. Modelling indicates that the enhanced fast electron pre-beam associated with the large density scalelength interaction generates a magnetic field within the target of sufficient magnitude to partially collimate the subsequent, more divergent, fast electron main-beam.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Semiclassical shell-structure micro-macroscopic approach for the level density

Level density ρ(E,A) is derived for a one-component nucleon system with a given energy E and particle number A within the mean-field semiclassical periodic-orbit theory beyond the saddle-point method of the Fermi gas model. We obtain ρ∝I ν (S)/S ν , with I ν (S) being the modified Bessel function of the entropy S. Within the micro-macro-canonical approximation (MMA), for a small thermal excitation energy U, with respect to rotational excitations E rot , one obtains ν = 3/2 for ρ(E,A). In the case of excitation energy U larger than E rot but smaller than the neutron separation energy, one finds a larger value of ν = 5/2. A role of the fixed spin variables for rotating nuclei is discussed. The MMA level density ρ reaches the well-known grand-canonical ensemble limit (Fermi gas asymptote) for large S related to large excitation energies, and also reaches the finite micro-canonical limit for small combinatorial entropy S at low excitation energies (the constant “temperature” model). Fitting the ρ(E,A) of the MMA to the experimental data for low excitation energies, taking into account shell and, qualitatively, pairing effects, one obtains for the inverse level density parameter K a value which differs essentially from that parameter derived from data on neutron resonances.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Modeling of stagnation-line nonequilibrium flows by means of quantum based collisional models

The stagnation-line flow over re-entry bodies is analyzed by means of a quantum based collisional model which accounts for dissociation and energy transfer in N{sub 2}-N interactions. The physical model is based on a kinetic database developed at NASA Ames Research Center. The reduction of the kinetic mechanism is achieved by lumping the rovibrational energy levels of the N{sub 2} molecule in energy bins. The energy bins are treated as separate species, thus allowing for non-Boltzmann distributions of their populations. The governing equations are discretized in space by means of the Finite Volume method. A fully implicit time-integration is used to obtain steady-state solutions. The results show that the population of the energy bins strongly deviate from a Boltzmann distribution close to the shock wave and across the boundary layer. The sensitivity analysis to the number of energy bins reveals that accurate estimation of flow quantities (such as chemical composition and wall heat flux) can be obtained by using only 10 energy bins. A comparison with the predictions obtained by means of conventional multi-temperature models indicates that the former can lead to an overestimation of the wall heat flux, due to an inaccurate modeling of recombination in the boundary layer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Executing BISON-CASL Fuel Performance Cases Using VERA-CS Output

As the Consortium for Advanced Simulation of Light Water Reactors (CASL) moves forward with more complex multiphysics simulations, there is increased focus on incorporating fuel performance analysis methods. The coupled neutronics/thermal-hydraulics capabilities within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS) have become relatively stable and major advances have been made in analysis efforts, including the simulations of twelve cycles of Watts Bar Nuclear Unit 1 (WBN1) operation. However, VERA-CS approaches for treating fuel pin heat transfer have well-known limitations that could be eliminated through better integration with the BISON-CASL fuel performance code. Several approaches are being taken to improve or replace the VERA-CS fuel models and improve integration with BISON-CASL. Tiamat is being developed to replace the fuel models with a direct coupling of BISON-CASL and the neutronics and coolant heat transfer of VERA-CS. Tiamat will execute in an inline mode that allows for in-memory transfer of VERA-CS data to BISON-CASL. This will provide fuel performance results during core simulation. However, fuel performance typically undergoes an independent analysis using a stand-alone fuel performance code with manually specified input defined from an independent core simulator solution or set of assumptions. This milestone covers initial efforts to facilitate using VERA for core simulation and fuel performance to operate in this mode of execution. This approach will be used for several CASL fuel performance challenges, such as RIAs and DNB. These issues require time-dependent full core results to establish the boundary conditions for the high-fidelity BISON-CASL simulations. The approach will also be used to improve fuel temperature models in VERA-CS, guide the development of Tiamat, and simplify the use of BISON-CASL within VERA for industry users.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

SMA OBSERVATIONS OF THE EXTENDED {sup 12}CO(J = 6–5) EMISSION IN THE STARBURST GALAXY NGC 253

We present observations of the {sup 12}CO(J = 6–5) line and 686 GHz continuum emission in NGC 253 with the Submillimeter Array at an angular resolution of ∼4″. The {sup 12}CO(J = 6–5) emission is clearly detected along the disk and follows the distribution of the lower {sup 12}CO line transitions with little variation of the line ratios. A large velocity gradient analysis suggests a two-temperature model of the molecular gas in the disk, likely dominated by a combination of low-velocity shocks and the disk-wide photodissociation regions. Only marginal {sup 12}CO(J = 6–5) emission is detected in the vicinity of the expanding shells at the eastern and western edges of the disk. While the eastern shell contains gas even warmer (T{sub kin} > 300 K) than the hot gas component (T{sub kin} = 300 K) of the disk, the western shell is surrounded by gas much cooler (T{sub kin} = 60 K) than the eastern shell but somewhat hotter than the cold gas component of the disk (for similar H{sub 2} and CO column densities), indicative of different (or differently efficient) heating mechansisms. The continuum emission at 686 GHz in the disk agrees well in shape and size with that at lower (sub)millimeter frequencies, exhibiting a spectral index consistent with thermal dust emission. We find dust temperatures of ∼10–30 K and largely optically thin emission. However, our fits suggest a second (more optically thick) dust component at higher temperatures (T{sub d}>60 K), similar to the molecular gas. We estimate a global dust mass of ∼10{sup 6} M{sub ⊙} for the disk, translating into a gas-to-dust mass ratio of a few hundred, consistent with other nearby active galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states

Simulated tempering (ST) is a widely used enhancing sampling method for Molecular Dynamics simulations. As one expanded ensemble method, ST is a combination of canonical ensembles at different temperatures and the acceptance probability of cross-temperature transitions is determined by both the temperature difference and the weights of each temperature. One popular way to obtain the weights is to adopt the free energy of each canonical ensemble, which achieves uniform sampling among temperature space. However, this uniform distribution in temperature space may not be optimal since high temperatures do not always speed up the conformational transitions of interest, as anti-Arrhenius kinetics are prevalent in protein and RNA folding. Here, we propose a new method: Enhancing Pairwise State-transition Weights (EPSW), to obtain the optimal weights by minimizing the round-trip time for transitions among different metastable states at the temperature of interest in ST. The novelty of the EPSW algorithm lies in explicitly considering the kinetics of conformation transitions when optimizing the weights of different temperatures. We further demonstrate the power of EPSW in three different systems: a simple two-temperature model, a two-dimensional model for protein folding with anti-Arrhenius kinetics, and the alanine dipeptide. The results from these three systems showed that the new algorithm can substantially accelerate the transitions between conformational states of interest in the ST expanded ensemble and further facilitate the convergence of thermodynamics compared to the widely used free energy weights. We anticipate that this algorithm is particularly useful for studying functional conformational changes of biological systems where the initial and final states are often known from structural biology experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

First principles calculation of lattice thermal conductivity of metals considering phonon-phonon and phonon-electron scattering

The effect of phonon-electron (p-e) scattering on lattice thermal conductivity is investigated for Cu, Ag, Au, Al, Pt, and Ni. We evaluate both phonon-phonon (p-p) and p-e scattering rates from first principles and calculate the lattice thermal conductivity (κ{sub L}). It is found that p-e scattering plays an important role in determining the κ{sub L} of Pt and Ni at room temperature, while it has negligible effect on the κ{sub L} of Cu, Ag, Au, and Al. Specifically, the room temperature κ{sub L}s of Cu, Ag, Au, and Al predicted from density-functional theory calculations with the local density approximation are 16.9, 5.2, 2.6, and 5.8 W/m K, respectively, when only p-p scattering is considered, while it is almost unchanged when p-e scattering is also taken into account. However, the κ{sub L} of Pt and Ni is reduced from 7.1 and 33.2 W/m K to 5.8 and 23.2 W/m K by p-e scattering. Even though Al has quite high electron-phonon coupling constant, a quantity that characterizes the rate of heat transfer from hot electrons to cold phonons in the two-temperature model, p-e scattering is not effective in reducing κ{sub L} owing to the relatively low p-e scattering rates in Al. The difference in the strength of p-e scattering in different metals can be qualitatively understood by checking the amount of electron density of states that is overlapped with the Fermi window. Moreover, κ{sub L} is found to be comparable to the electronic thermal conductivity in Ni.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2012

An Empirical Temperature Variance Source Model in Heated Jets

An acoustic analogy approach is implemented that models the sources of jet noise in heated jets. The equivalent sources of turbulent mixing noise are recognized as the differences between the fluctuating and Favre-averaged Reynolds stresses and enthalpy fluxes. While in a conventional acoustic analogy only Reynolds stress components are scrutinized for their noise generation properties, it is now accepted that a comprehensive source model should include the additional entropy source term. Following Goldstein s generalized acoustic analogy, the set of Euler equations are divided into two sets of equations that govern a non-radiating base flow plus its residual components. When the base flow is considered as a locally parallel mean flow, the residual equations may be rearranged to form an inhomogeneous third-order wave equation. A general solution is written subsequently using a Green s function method while all non-linear terms are treated as the equivalent sources of aerodynamic sound and are modeled accordingly. In a previous study, a specialized Reynolds-averaged Navier-Stokes (RANS) solver was implemented to compute the variance of thermal fluctuations that determine the enthalpy flux source strength. The main objective here is to present an empirical model capable of providing a reasonable estimate of the stagnation temperature variance in a jet. Such a model is parameterized as a function of the mean stagnation temperature gradient in the jet, and is evaluated using commonly available RANS solvers. The ensuing thermal source distribution is compared with measurements as well as computational result from a dedicated RANS solver that employs an enthalpy variance and dissipation rate model. Turbulent mixing noise predictions are presented for a wide range of jet temperature ratios from 1.0 to 3.20.

Khavaran, Abbas↗
DOE OSTI2023

Final-stage densification kinetics of direct current–sinteredZrB2

Final-stage sintering was analyzed for nominally phase pure zirconium diboride synthesized by borothermal reduction of high-purity ZrO2. Analysis was conducted on ZrB2 ceramics with relative densities greater than 90% using the Nabarro–Herring stress–directed vacancy diffusion model. Temperatures of 1900°C or above and an applied uniaxial pressure of 50 MPa were required to fully densify ZrB2 ceramics by direct current sintering. Ram travel data were collected and used to determine the relative density of the specimens during sintering. Specimens sintered between 1900 and 2100°C achieved relative densities greater than 97%, whereas specimens sintered below 1900°C failed to reach the final stage of sintering. The average grain size ranged from 1.0 to 14.7 μm. The activation energy was calculated from the slope of an Arrhenius plot that used the Kalish equation. The activation energy was 162 ± 34 kJ/mol, which is consistent with the activation energy for dislocation movement in ZrB2. The diffusion coefficients for dislocation motion that controls densification were 5.1 × 10−6 cm2/s at 1900°C and 5.1 × 10−5 cm2/s at 2100°C, as calculated from activation energy and average grain sizes. This study provides evidence that the dominant mechanism for final-stage sintering of ZrB2 ceramics is dislocation motion.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Bayesian analysis for estimating statistical parameter distributions of elasto-viscoplastic material models

High temperature design methods rely on constitutive models for inelastic deformation and failure typically calibrated against the mean of experimental data without considering the associated scatter. Variability may arise from the experimental data acquisition process, from heat-to-heat material property variations, or both and need to be accurately captured to predict parameter bounds leading to efficient component design. Applying the Bayesian Markov Chain Monte Carlo (MCMC) method to produce statistical models capturing the underlying uncertainty in the experimental data is an area of ongoing research interest. This work varies aspects of the Bayesian MCMC method and explores their effect on the posterior parameter distributions for a uniaxial elasto-viscoplastic damage model using synthetically generated reference data. From our analysis with the uniaxial inelastic model we determine that an informed prior distribution including different types of test conditions results in more accurate posterior parameter distributions. The parameter posterior distributions, however, do not improve when increasing the number of similar experimental data. Additionally, changing the amount of scatter in the data affects the quality of the posterior distributions, especially for the less sensitive model parameters. Moreover, we perform a sensitivity study of the model parameters against the likelihood function prior to the Bayesian analysis. The results of the sensitivity analysis help to determine the reliability of the posterior distributions and reduce the dimensionality of the problem by fixing the insensitive parameters. The comprehensive study described in this work demonstrates how to efficiently apply the Bayesian MCMC methodology to capture parameter uncertainties in high temperature inelastic material models. Quantifying these uncertainties in inelastic models will improve high temperature engineering design practices and lead to safer, more effective component designs.

42 ENGINEERING↗
DOE OSTI2011

Quantum quench dynamics of the Bose-Hubbard model at finite temperatures

We study quench dynamics of the Bose-Hubbard model by exact diagonalization. Initially, the system is at thermal equilibrium and of a finite temperature. The system is then quenched by changing the on-site interaction strength U suddenly. Both the single-quench and double-quench scenarios are considered. In the former case, the time-averaged density matrix and the real-time evolution are investigated. It is found that though the system thermalizes only in a very narrow range of the quenched value of U, it does equilibrate or relax well into a much larger range. Most importantly, it is proven that this is guaranteed for some typical observables in the thermodynamic limit. In order to test whether it is possible to distinguish the unitarily evolving density matrix from the time-averaged (thus time-independent), fully decohered density matrix, a second quench is considered. It turns out that the answer is affirmative or negative depending on whether the intermediate value of U is zero or not.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A twentieth-century reanalysis forced ocean model to reconstruct the North Atlantic climate variation during the 1920s

The observed North Atlantic multi-decadal variability for the period 1872–2009 is reconstructed with the Max Planck Institute ocean model, which is forced with an ensemble of the atmospheric twentieth century reanalysis. Special emphasis is put on the early part of the experiments, which includes a prominent climate variation during the 1920s. The experiments are in agreement with selected hydrographic records, indicating a transition from cold and fresh North Atlantic water properties, prior to the 1920 climate variation, towards warm and saline waters afterwards. Examining the variation reveals that sea level pressure (SLP) anomalies prior to the 1900s resemble a negative phase of North Atlantic Oscillation and associated weak winds result in a weak North Atlantic Current (NAC) and sub-polar gyre (SPG). This leads to a reduced transport of warm and saline waters into the higher latitudes. Simultaneously, Arctic freshwater release results in the accumulation of cold and fresh water properties, which cover the upper layers in the Labrador Sea and subsequently suppress convection. From the 1910s, the Arctic freshwater export is reduced, and, NAC and SPG are strengthened as a result of an increased SLP gradient over the North Atlantic. Concurrently, Labrador Sea convection and Atlantic meridional overturning circulation (AMOC) increase. The intensified NAC, SPG, and AMOC redistribute sub-tropical water into the North Atlantic and Nordic Seas, thereby increasing observed and modelled temperature and salinity during the 1920s.

Meteorology & Atmospheric Sciences↗
DOE OSTI2022

What Can Plastic Flow Fields Tell Us About Heat Sources in Deformation Processing?

We characterize primary (shape-change) and secondary (friction) deformation, and associated temperature fields, in metal cutting and forming processes, using in situ imaging and simulation. The experimental configurations enable access to the deformation zones and die contact-interfaces, for measuring deformation, temperature, and frictional drag. Infra-red thermography reveals that the plastic strain-rate field is an excellent proxy for the deformation-induced heat sources. Both spatially confined and diffuse strain-rate fields occur, depending on the initial workpiece deformation state. When the strain rate is confined, as in pre-hardened material, the temperature modeling is much simplified, as the heat source is also now localized. However complex, microstructure-driven deformation modes, like sinuous flow in annealed metals, result in spatially diffuse strain-rate and body heat sources, more challenging to analyze. Furthermore, our unified measurements should be of value for accurately estimating the fraction of plastic dissipation that is converted into heat in large-strain deformation processes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Impacts of irregularly-distributed acidified brine flow on geo-chemo-mechanical alteration in an artificial shale fracture under differential stress

The efficacy of geological carbon sequestration is reliant on the integrity of the caprock and its resistance to physical and chemical alteration. Caprocks with high abundance of reactive carbonates like calcite are susceptible to acid-promoted dissolution and can result in structural weakening. This work investigates the effect of acidified brine flow through an artificially fractured, high-carbonate (30 % by XRD) shale under differential compressive stress. Cylindrical samples were cut in half vertically and milled to create an artificial fracture with interlocking asperities and open channels. Samples were sheared with a single applied stress in a custom flow cell housed within an industrial CT scanner. Further, either acidic (pH 4) or reservoir-simulated (pH 9.5) brine was flowed through the artificial fracture for 7–8 days under reservoir pressure and room temperature. Model simulations indicate flow mainly occurred in open channels, with limited flow between overlapping asperities. Analysis of fracture surfaces by optical and scanning electron microscopy show increased surface alteration and roughness after exposure to pH 4 versus pH 9.5 brine indicating mineral dissolution/loss, and this effect is greater in areas that receive the highest brine flows. Similarly, surface analysis by scratch testing shows fracture toughness decreases more after exposure to acidic versus reservoir-simulated brine, with the greatest alteration in areas of highest acidic brine flows. Despite weakening, no shear slip occurred. Overall, the results indicate that acidified brine can result in significant physical and geomechanical alteration of irregular fracture surfaces in shale caprock, with greatest effects in preferential flow regions.

58 GEOSCIENCES↗