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At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Boundary-Layer-Coupled and Decoupled Clouds in Global Storm-Resolving Models: Comparisons With the ARM Observations

The accurate representation of interactions between clouds and planetary boundary layer (PBL) is a persistent challenge in climate models, critical for simulating surface energy budget. The emergence of kilometer-grid-scale global storm resolving models (GSRMs) offers the potential for enhanced details of PBL processes in these complex interactions. This study evaluates the representation of PBL-coupled and decoupled clouds in nine GSRM simulations against extensive ground-based observations by the Department of Energy Atmospheric Radiation Measurement (ARM) program, across six sites encompassing diverse regimes such as marine and continental environments in tropics and midlatitude. By differentiating coupling based on the relative positions between cloud bases and PBL tops, our analysis focuses on the simulation of PBL height, cloud frequency, position and vertical extent. The GSRMs generally exhibit commendable agreements with observed cloud structures and PBL diurnal cycles across different ARM sites. In contrast to the relatively consistent representation of decoupled clouds, discrepancies exist between the simulated and the observed coupled clouds, particularly in areas of intense convection, for example, over tropical rainforests and mountainous regions. These biases are probably associated with the models' tendency to underestimate the boundary layer humidity and the frequency of coupled clouds within different ranges of PBL heights. This study underscores the importance for continuous improvements in the representation of boundary layer and convection within these global kilometer-grid-scale models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Direct Extraction of Sodium Hydroxide by Calix[4]pyrrole-Based Ion-Pair Receptors

Here, described in this work, are calix[4]pyrrole-based ion-pair receptors, cis/trans-1 and cis/trans-2, designed for the extraction of sodium hydroxide. An X-ray diffraction analysis of a single crystal of the cis-1·NaOH isomer isolated from a mixture of cis/trans-1 revealed a unique dimeric supramolecular structure. An average dimer in toluene-d 8 solution was inferred on the basis of diffusion-ordered spectroscopy (DOSY). Support for the proposed stoichiometry came from density functional theory (DFT) calculations. The structural stability of the dimeric cis-1·NaOH complex in toluene solution was further confirmed by ab initio molecular dynamics (AIMD) simulation with explicit representation of solvent. Under conditions of liquid–liquid extraction (LLE), purified receptors cis- and trans-2 were both found to remove NaOH from a pH 11.01 aqueous source phase into toluene with extraction efficiencies (E%) of 50–60% when used equimolar to NaOH. However, in all cases, precipitation was observed. Complexities associated with precipitation could be avoided by immobilization of the receptors onto a chemically inert poly(styrene) resin by means of solvent impregnation. The use of solvent-impregnated resins (SIRs) eliminated precipitation in solution while retaining the extraction efficiency toward NaOH. This allowed both the pH and salinity of the alkaline source phase to be lowered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Simulation of Microcapsule Transport in Fractured Media Using Coupled CFD‐DEM

Geothermal energy is sustainable and gaining momentum as a solution to energy crises and environmental issues. However, challenges like production temperature and thermal breakthrough can impact geothermal project efficiency. One innovative solution to alleviate the thermal breakthrough is to inject polymer-based materials that are encapsulated in microcapsules into fractures to modify fracture permeability and prevent preferential flow. In our study, we utilized a coupled computational fluid dynamics and discrete element method to simulate the transport of microcapsules under various scenarios controlled by microcapsule size, microcapsule concentration, and fracture roughness. For a smooth fracture, the results indicate that small microcapsules can travel through a smooth fracture regardless of their concentrations. Large microcapsules can transport through a smooth fracture when present in lower concentrations. However, medium and mixed-size microcapsules tend to cause the sealing of a smooth fracture, irrespective of their concentrations. For a rough fracture, the transport of microcapsules is complicated by their interactions with the rough fracture walls. The presence of two sealing positions in a rough fracture adds further complexity to this transport phenomenon. The size and concentration of microcapsules control one sealing location, while the rough fracture walls determine the other sealing location. The rough walls substantially affect microcapsule transport, rendering the role of microcapsule size and concentration less significant. The simulation results suggest that complex fracture surfaces significantly elevate the occurrence of sealing behavior. To mitigate sealing behavior within more complex fractures, it would be beneficial to use smaller and lower concentrations of microcapsules.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

A three-dimensional model of terrain-induced updrafts for movement ecology studies

Abstract Background Spatially explicit simulation models of animal movements through the atmosphere necessarily require a representation of the spatial and temporal variation of atmospheric conditions. In particular, for movements of soaring birds that rely extensively on vertical updrafts to avoid flapping flight, accurate and reliable estimation of the vertical component of wind is critical. The interaction between wind and complex terrain shapes both the horizontal and vertical wind fields, highlighting the need to model the coupling between local terrain features and atmospheric conditions at scales relevant to animal movement. Methods In this work, we propose a new empirical model for estimating the orographic updraft field. The model is developed using computational fluid dynamics simulations of canonical atmospheric conditions over moderately complex terrain. To isolate buoyancy and thermal effects, and focus on terrain-induced effects, we use only simulations of a neutrally stratified atmosphere to develop the model. The model, which we name Engineering Vertical Velocity Estimator (EVVE), is simple to implement and is a function of the underlying terrain elevation map, the desired height above ground level (AGL), and wind conditions at a reference height (80 m). We validate the model with data from the Alaiz mountain (Spain) field campaign. Results Compared to observations, the proposed improved model estimates the updrafts at 120 m AGL with a mean error of 0.11 m/s ( $$\sigma =0.28$$ σ = 0.28 m/s), compared to 0.85 m/s ( $$\sigma =0.58$$ σ = 0.58 m/s) for its baseline. For typical land-based wind turbine hub heights of 80 m AGL, the proposed model has a mean error of 0.04 m/s ( $$\sigma =0.25$$ σ = 0.25 m/s), compared to baseline 0.54 m/s ( $$\sigma =0.45$$ σ = 0.45 m/s) estimations. We illustrate an application of the model in movement ecology by comparing simulated tracks and presence maps of golden eagles ( Aquila chrysaetos ) moving across two distinct landscapes. The tracks and presence maps are obtained using a simple heuristic-based movement model, with the updraft field given by the proposed model and a wind vector-based estimation approach that is currently in wide use in movement ecology studies of raptors and other soaring birds. Conclusions We highlight that movement model results can be sensitive to the underlying orographic updraft model, especially in studies of fine-scale movements in regions of complex topography. We suggest adopting the proposed model rather than the wind vector estimation method for studies of soaring bird movements.

17 WIND ENERGY↗
DOE OSTI2023

Cost-constrained adaptive simulations of transient spray combustion in a gas turbine combustor

Predictive high-fidelity simulations of turbulent spray combustion must capture the combined effects of complex chemistry, multiphase evaporating flow and spray-flame interactions to achieve physical accuracy. Finite-rate chemistry (FRC) combined with a realistic chemical mechanism is a combustion model well-suited for this purpose, but has a high computational cost due to the large number and stiffness of transported chemical species. In contrast, flamelet-based models achieve lower cost by transporting a small number of quantities of reduced stiffness, but assumptions regarding local flame topology, boundary conditions and inter-phase coupling limit their physical accuracy. Recently, the Pareto-efficient combustion (PEC) framework was developed to dynamically assign combustion models based on local cost and accuracy metrics in gas-phase reacting flows. In this work, we extend this PEC framework to spray combustion through the rigorous analysis of the multiphase coupling terms in the governing equations. The derivation shows that spray evaporation causes errors in the prediction of species mass fractions for flamelet-based models due to the sensitivity of the local thermo-chemical state to changes in composition caused by fuel vaporization across combustion regimes present in practical spray combustion devices. Sub-model assignment is formulated as a multiple-choice knapsack problem, where computational cost is directly controlled through the fraction of the domain assigned to the FRC sub-model. The extended PEC formulation is applied to the simulation of a realistic rich-quench-lean gas turbine combustor at steady-state conditions, as well as transient operation resulting in lean blow-out (LBO). Analysis of transient simulations during LBO demonstrates the extended PEC formulation’s capacity to dynamically adapt to changing conditions within the combustor. Transient combustor dynamics are shown to approach convergence with limited increases in computational cost, while retaining substantial computational cost reduction compared to monolithic FRC simulations. Through PEC simulations with increasing fractions of the domain assigned to FRC, monolithic flamelet simulations are shown to over-predict flame stability during LBO. Finally, the extended PEC formulation is thus shown to overcome deficiencies of monolithic models by controlling modeling error for multiphase combustion modeling.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Integrated modeling framework (FVCOM-ICM/Toxi) to simulate the fate and transport of polychlorinated biphenyls in urban estuaries–Case study for Puget Sound, WA

Puget Sound is an urban estuary that exhibits persistent polychlorinated biphenyls (PCBs) contamination despite years of remediation efforts. For robust management actions, determining the timing, location, and magnitude of PCB loading sources and transport pathways using field data alone is challenging due to complex water circulation and biogeochemical processes. Here, this study aims to develop an integrated modeling framework that couples complex estuarian circulation with biogeochemical processes and associated interactions with PCB kinetics. The model simulates PCB accumulation in the lower tropic food web, demonstrating PCB intrusion into primary producers and its biomagnification in pelagic consumers. The PCB data from a new field survey was used to calibrate/validate the new PCB modeling framework for Puget Sound. The software program of the modeling framework is available to the user community for the applications of toxic contaminants transport in marine waters.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Insight into industrial hemp ( Cannabis sativa L.) root exudation composition in a simulated soil environment: a rhizosphere-on-a-chip study

Microfluidic technologies provide a reduced complexity and soil-free environment to study plant-soil interactions at the microscale. Traditionally used for model plants such as Arabidopsis thaliana, this study represents the first application of a rhizosphere-on-a-chip (RhizoChip) to investigate root exudation in industrial hemp (Cannabis sativa L.), an agronomic crop with growing economic importance. By incorporating soil-like minerals (kaolinite, potassium feldspar, and biotite), the RhizoChip addresses limitations of previous research. Hemp seedlings grown in mineral-containing chips exhibited significant root growth, emphasizing the critical role of minerals in root development. Using untargeted metabolomics, 170 compounds were identified, including organic acids, amino acids, and secondary metabolites, with distinct profiles across conditions. Metabolic pathway analysis revealed activity in amino acid metabolism, the citric acid cycle, and secondary metabolite biosynthesis. In conclusion, this study highlights the RhizoChip's potential for long-term studies of root exudates in non-model crops and offers insights into rhizosphere processes with implications for sustainable agriculture.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Influence of Equation-of-States on Supercritical CO2 Combustion Mixtures

Abstract Fossil fuel based direct-fired supercritical CO2 (sCO2) cycles are gaining the attention of industry, academia, and government due to their remarkable efficiency and carbon capture at high-source temperatures. Modeling plays an important role in the development of sCO2 combustors because experiments are very expensive at the designed operating conditions of these direct-fired cycles. Inaccurate density estimates are detrimental to the simulation output. Hence, this work focuses on comprehensive evaluation of the influence and applicability of various equation-of-states (EOS) which are being used in the supercritical combustion modeling literature. A state-of-the-art supercritical combustion modeling methodology is used to simulate counter-flow supercritical CO2 flames by using various equation-of-states. The results show that using the corresponding state principle to evaluate compressibility factor is not accurate. Also, van der Waal type EOSs predictions can be as accurate as complex Benedict–Webb–Rubin EOSs; hence van der Waal EOSs are more suitable to simulate sCO2 combustor simulations. Non-ideal effects are significant under the operating conditions considered in this work. The choice of EOS significantly influences the flame structure and heat release rate. Also, assuming the binary interaction parameter as zero is reasonable in sCO2 combustion simulations.

Energy & Fuels↗
DOE OSTI2023

Closing the loop between in-situ stress complexity and EGS fracture complexity

The goal of the project is to employ a combination of high-fidelity simulations and true-triaxial block fracturing tests at high temperature to explore the intricate relationship between in-situ stress and hydraulic fracture patterns and better characterize the in-situ stress at Utah FORGE. Laboratory experiments are used to validate numerical models and better understand the impact of various parameters (e.g., temperature, well orientation, stress, etc) on the hydraulic fracture nucleation process in EGS. The project will have a significant impact as it will (1) improve the characterization of the in-situ stress field at FORGE; (2) demonstrate how high-fidelity modeling tools can be employed to analyze data for EGS; (3) provide a unique set of high-temperature hydraulic fracturing experimental results for EGS to help identifying the most important components for in-situ stress estimation and to validate the current in-situ stress estimation theory and establish a strong foundation for proposing a new one; (4) provide a validated set of numerical tools in an open source simulation framework (GEOS) that can be used to model EGS.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Using Dissipative Particle Dynamics to Model Effects of Chemical Reactions Occurring within Hydrogels

Computational models that reveal the structural response of polymer gels to changing, dissolved reactive chemical species would provide useful information about dynamically evolving environments. However, it remains challenging to devise one computational approach that can capture all the interconnected chemical events and responsive structural changes involved in this multi-stage, multi-component process. Here, we augment the dissipative particle dynamics (DPD) method to simulate the reaction of a gel with diffusing, dissolved chemicals to form kinetically stable complexes, which in turn cause concentration-dependent deformation of the gel. Using this model, we also examine how the addition of new chemical stimuli and subsequent reactions cause the gel to exhibit additional concentration-dependent structural changes. Through these DPD simulations, we show that the gel forms multiple latent states (not just the “on/off”) that indicate changes in the chemical composition of the fluidic environment. Hence, the gel can actuate a range of motion within the system, not just movements corresponding to the equilibrated swollen or collapsed states. Moreover, the system can be used as a sensor, since the structure of the layer effectively indicates the presence of chemical stimuli.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Physics-based, neural network force fields for reactive molecular dynamics: Investigation of carbene formation from [EMIM + ][OAc - ]

Reactive molecular dynamics simulations enable detailed understanding of solvent effects on chemical reaction mechanisms and reaction rates. While classical molecular dynamics using reactive force fields allows significantly longer simulation time scales and larger system sizes compared with ab initio molecular dynamics, constructing reactive force fields is a difficult and complex task. In this work, we describe a general approach following the Empirical Valence Bond (EVB) framework for constructing ab initio reactive force fields for condensed phase simulations by combining physics-based methods with neural networks (PB/NN). The physics-based terms ensure correct asymptotic behavior of electrostatic, polarization, and dispersion interactions, and are compatible with existing solvent force fields. Neural networks are utilized for versatile description of short-range orbital interactions within the transition state region, and accurate rendering of vibrational motion of the reacting complex. Herein, we demonstrate our methodology for a simple deprotonation reaction of the 1-ethyl-3-methylimidazolium (EMIM+) cation with acetate to form 1-ethyl- 3-methylimidazol-2-ylidene and acetic acid. Our PB/NN force field exhibits ~ 1 kJ/mol MAE accuracy within the transition state region for the gas-phase complex. To characterize solvent modulation of the reaction profile, we compute potentials of mean force (PMFs) for the gas-phase reaction as well as the reaction within a four ion cluster, and benchmark against ab initio molecular dynamics simulations. We find that the surrounding ionic environment significantly destabilizes formation of the carbene product, and we show that this effect is accurately captured by the reactive force field. By construction, the PB/NN potential may be directly employed for simulations of other solvents/chemical environments without additional parameterization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Kinetics of low-temperature methane activation on IrO 2 (1 1 0): Role of local surface hydroxide species

The ability of the IrO 2 (1 1 0) surface to promote CH 4 activation at low temperatures (~150 K) suggests possibilities for developing IrO 2 -based catalysts to selectively convert light alkanes to high-value chemicals. In this study, we present experimental results and microkinetic simulations, based on density functional theory (DFT) calculations, of temperature programmed reaction spectra (TPRS) obtained for CH 4 σ-complexes adsorbed on IrO 2 (1 1 0), and focus on clarifying how surface OH groups modify the branching between CH 4 desorption, activation and subsequent reactions during TPRS. Our DFT results predict that surface OH groups strongly destabilize CH 4 σ-complexes on IrO 2 (1 1 0) in addition to deactivating surface O-atoms that are needed to achieve CH 4 activation at low temperature. We demonstrate that a microkinetic model that incorporates the influence of surface OH groups on the CH 4 binding and reactivity reproduces experimental TPRS results which show that adsorbed CH 4 σ-complexes preferentially dissociate at low CH 4 coverage, but that an increasing fraction of the adsorbed CH 4 desorbs at low temperature (~120 K) with increasing initial CH 4 or H coverage. The simulations reveal that low-temperature CH4 desorption during TPRS arises primarily from CH 4 σ-complexes that are kinetically-trapped between adjacent surface OH groups, and are thus destabilized and unable to access reactive O-atoms. In addition, when the effect of adjacent OH groups is incorporated we find that the PBE-D3 functional incorporating dispersion provides CH 4 binding energies that agree more closely with that obtained from the TPRS experiments. Overall, our results demonstrate that the local effect of adjacent OH groups must be incorporated into any microkinetic models to properly capture the selectivity between extensive and partial oxidation in alkane conversion on IrO 2 (1 1 0) under reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Adaptive Mesh Refinement Simulations for Turbulent Reacting Flow

With the increased availability of exascale computing hardware, detailed simulations of realistic devices can be performed at practically relevant time and length scales. Insights into the multiscale driving mechanisms in compressible reacting flow systems with complex geometry, such as combustors, can be used for design optimization and technology improvements. However, to effectively perform these simulations, advanced numerical algorithms must be used to maintain solution accuracy without incurring undue computational costs. PeleC, part of the Pele suite of codes, leverages block-structured adaptive mesh refinement (AMR) through the AMReX library to capture fine-scale flow features in compressible reacting flows. In this talk, we discuss recent improvements to the numerical algorithms, particularly in regard to describing flows at complex boundary structures, and PeleC's performance on exascale computing hardware. We will demonstrate that PeleC is well-suited for modern, extreme-scale, heterogenous compute platforms.

combustion↗
DOE OSTI2025

Assessing the performance of MagLIF with 3D MHD simulations

The Magnetized Liner Inertial Fusion (MagLIF) experimental platform at Sandia National Laboratories has realized a number of recent improvements in electrical current and laser preheat coupling but fusion yields are below expectations, based on modeling with clean (that is, simulations with no interfacial instabilities and no mix) two-dimensional (2D) magneto-hydrodynamics (MHD) simulations, by a factor of 5 or more. However, magnetized liner implosions are known to produce helical magneto-Rayleigh–Taylor (MRT) modes and complex stagnation structures that cannot be directly modeled in 2D. This paper presents the results of 3D HYDRA MHD simulations, including helical MRT, showing that degradation from these instabilities can readily reproduce experimental yields, but it is difficult to simultaneously match the yield along with inferred fuel temperature, pressure, and burn history (assessed with x-rays), which are larger in the experiments considered here. Additional analysis methods and future experiments are proposed to help address the discrepancies. The 3D simulations also show, without substantive improvements to stability, changing the applied Bz or preheat is unlikely to increase performance of MagLIF to the same degree as clean 2D simulations. Finally, the first 3D HYDRA simulations with the Hall term show the ab initio production of helical MRT and produce a clear change in stagnation morphology compared to pre-seeded simulations without Hall. In spite of the differences, the simulations still produce comparable fusion performance but with longer, lower power, neutron yield history.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Aerosol-deep convection interaction based on joint cell-thermal tracking in Large Eddy Simulations during the TRACER campaign

In cumulus clouds, aerosol concentrations control cloud droplet concentrations, modifying cloud radiative properties, precipitation processes, and cloud electrification. However, mechanisms of aerosol-deep convection interactions are not well understood due to complex cloud dynamics and microphysics. We investigate the interaction of aerosols with isolated deep convection using Large Eddy Simulations of two cases during the TRacking Aerosol Convection interactions ExpeRiment (TRACER) near Houston, Texas, using a joint cell-thermal tracking algorithm. Cumulus thermals are droplet generators, since supersaturation and droplet nucleation coincide with thermal centers, where the strongest updrafts occur. Primary ice crystal formation does not take place inside thermals, but at layers where previous thermals detrained moisture. As subsequent thermals containing supercooled droplets penetrate these layers, hail and graupel form at or near these thermals. Higher aerosol concentrations result in higher droplet concentrations that suppress drizzle, delay warm rain processes, and transport more moisture aloft. This increases snow and ice amount, as well as graupel and hail, leading to more lightning. Polluted thermals initiate at slightly higher altitudes, and are slightly larger and faster, suggesting a weak invigoration. We also find more thermals per cell, but fewer isolated cells, since convection is more aggregated and intense, especially near the end of the 24 h simulation. Non-linear mesoscale feedback likely triggered by temperature and moisture responses to aerosol-thermal interactions causes the aggregation. Time-lagged aerosol-reinitialization experiments show that the mesoscale response is the predominant forcing for the invigoration. These changes happen within one day, on a smaller scale than previously suggested.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Forest responses to simulated elevated CO 2 under alternate hypotheses of size- and age-dependent mortality

Elevated atmospheric carbon dioxide (eCO 2 ) is predicted to increase growth rates of forest trees. The extent to which increased growth translates to changes in biomass is dependent on the turnover time of the carbon, and thus tree mortality rates. Size- or age-dependent mortality combined with increased growth rates could result in either decreased carbon turnover from a speeding up of tree life cycles, or increased biomass from trees reaching larger sizes, respectively. However, most vegetation models currently lack any representation of size- or age-dependent mortality and the effect of eCO 2 on changes in biomass and carbon turnover times is thus a major source of uncertainty in predictions of future vegetation dynamics. Using a reduced-complexity form of the vegetation demographic model the Functionally Assembled Terrestrial Ecosystem Simulator to simulate an idealised tropical forest, we find increases in biomass despite reductions in carbon turnover time in both size- and age-dependent mortality scenarios in response to a hypothetical eCO 2 -driven 25% increase in woody net primary productivity (wNPP). Carbon turnover times decreased by 9.6% in size-dependent mortality scenarios due to a speeding up of tree life cycles, but also by 2.0% when mortality was age-dependent, as larger crowns led to increased light competition. Increases in aboveground biomass (AGB) were much larger when mortality was age-dependent (24.3%) compared with size-dependent (13.4%) as trees reached larger sizes before death. In simulations with a constant background mortality rate, carbon turnover time decreased by 2.1% and AGB increased by 24.0%, however, absolute values of AGB and carbon turnover were higher than in either size- or age-dependent mortality scenario. The extent to which AGB increases and carbon turnover decreases will thus depend on the mechanisms of large tree mortality: if increased size itself results in elevated mortality rates, then this could reduce by about half the increase in AGB relative to the increase in wNPP.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Holographic pseudoentanglement and the complexity of the AdS/CFT dictionary

The `quantum gravity in the lab' paradigm suggests that quantum computers might shed light on quantum gravity by simulating the CFT side of the AdS/CFT correspondence and mapping the results to the AdS side. This relies on the assumption that the duality map (the `dictionary') is efficient to compute. In this work, we show that the complexity of the AdS/CFT dictionary is surprisingly subtle: there might be cases in which one can efficiently apply operators to the CFT state (a task we call 'operator reconstruction') without being able to extract basic properties of the dual bulk state such as its geometry (which we call 'geometry reconstruction'). Geometry reconstruction corresponds to the setting where we want to extract properties of a completely unknown bulk dual from a simulated CFT boundary state. We demonstrate that geometry reconstruction may be generically hard due to the connection between geometry and entanglement in holography. In particular we construct ensembles of states whose entanglement approximately obey the Ryu-Takayanagi formula for arbitrary geometries, but which are nevertheless computationally indistinguishable. This suggests that even for states with the special entanglement structure of holographic CFT states, geometry reconstruction might be hard. This result should be compared with existing evidence that operator reconstruction is generically easy in AdS/CFT. A useful analogy for the difference between these two tasks is quantum fully homomorphic encryption (FHE): this encrypts quantum states in such a way that no efficient adversary can learn properties of the state, but operators can be applied efficiently to the encrypted state. We show that quantum FHE can separate the complexity of geometry reconstruction vs operator reconstruction, which raises the question whether FHE could be a useful lens through which to view AdS/CFT.

FOS: Physical sciences↗
DOE OSTI2021

Stochastic microstructural analysis of ceramic matrix composites using a high-fidelity multiscale framework

This paper presents a high-fidelity multiscale framework to simulate the mechanical behavior of ceramic matrix composites (CMCs), accounting for the complex micromorphology captured using detailed material characterization. First, high-resolution micrographs are obtained for the specific carbon fiber silicon-carbide-nitride matrix (C/SiNC) CMC to characterize the variability of the architectural features and manufacturing-induced defects at the microscale. An image processing algorithm is then used to precisely estimate the size and distribution of all subscale features and defects from the micrographs. The information is then used to generate a three-dimensional stochastic representative volume element (SRVE) to reconstruct microscale constituents accounting for the variability. As a result, the generated SRVEs are simulated using the high-fidelity generalized method of cells (HFGMC) micromechanics theory to investigate the effects of defects on the elastic properties of C/SiNC CMCs.

Ceramic Matrix Composites↗