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DOE OSTI2020

Multilevel and multifidelity uncertainty quantification for cardiovascular hemodynamics

Standard approaches for uncertainty quantification in cardiovascular modeling pose challenges due to the large number of uncertain inputs and the significant computational cost of realistic three-dimensional simulations. Here, we propose an efficient uncertainty quantification framework utilizing a multilevel multifidelity Monte Carlo (MLMF) estimator to improve the accuracy of hemodynamic quantities of interest while maintaining reasonable computational cost. This is achieved by leveraging three cardiovascular model fidelities, each with varying spatial resolution to rigorously quantify the variability in hemodynamic outputs. We employ two low-fidelity models (zero- and one-dimensional) to construct several different estimators. Our goal is to investigate and compare the efficiency of estimators built from combinations of these two low-fidelity model alternatives and our high-fidelity three-dimensional models. We demonstrate this framework on healthy and diseased models of aortic and coronary anatomy, including uncertainties in material property and boundary condition parameters. Our goal is to demonstrate that for this application it is possible to accelerate the convergence of the estimators by utilizing a MLMF paradigm. Therefore, we compare our approach to single fidelity Monte Carlo estimators and to a multilevel Monte Carlo approach based only on three-dimensional simulations, but leveraging multiple spatial resolutions. We demonstrate significant, on the order of 10 to 100 times, reduction in total computational cost with the MLMF estimators. We also examine the differing properties of the MLMF estimators in healthy versus diseased models, as well as global versus local quantities of interest. As expected, global quantities such as outlet pressure and flow show larger reductions than local quantities, such as those relating to wall shear stress, as the latter rely more heavily on the highest fidelity model evaluations. Similarly, healthy models show larger reductions than diseased models. In all cases, our workflow coupling Dakota’s MLMF estimators with the SimVascular cardiovascular modeling framework makes uncertainty quantification feasible for constrained computational budgets.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Wellbore injectivity response to step-rate CO 2 injection: Coupled thermo-poro-elastic analysis in a vertically heterogeneous formation

Safe and permanent carbon geological storages require an elaborate analysis of geomechanical stability. Subsurface injection of CO 2 changes the local temperature and pore pressure and, further, alters the stress due to thermo-poro-elastic responses. A permanent CO 2 storage testing was conducted in the water leg of Cranfield reservoir in Mississippi, USA, where hosted CO 2 enhanced-oil recovery activities. During CO 2 injection, the injection rate was ramped up twice but the bottom-hole pressure did not increase with the imposed injection rates as expected. This unexpected field observation suggests the possibility of an open-mode fracture development at the injector. However, the injector response and potential fracture development have not been rigorously interpreted with detailed near-wellbore temperature and pore pressure change upon the CO 2 injection. In this study, we performed history matching of CO 2 injection using coupled thermo-poro-elastic reservoir simulation to examine the possibility of fracturing. We built a reservoir model including vertical heterogeneity in both petrophysical and geomechanical properties estimated from well-logging analysis and laboratory experiments. The simulation results show that CO 2 injection changes stresses and support the hypothesis of development of an open-mode fracture at the injector during the Cranfield test. The near-injector region exhibits a large temperature reduction up to 55 °C with ensuing effective horizontal stress reduction up to 9.1 MPa. However, a caprock integrity issue is unlikely because of the horizontal stress contrast within layers and low hydraulic communication with the injection zone. This work indicates that the injectant temperature should be considered in the design of high-rate CO 2 injector.

58 GEOSCIENCES↗

DOE OSTI2022

Slowly rotating gravastars

We solve Einstein’s equations for slowly rotating gravitational condensate stars (gravastars) up to second order in the rotation by expanding about the spherically symmetric gravastar with de Sitter interior and Schwarzschild exterior matched at their common horizon. Requiring that the perturbations are finite on the null surface reduces the exterior geometry to that of a Kerr black hole, implying that a slowly rotating gravastar cannot be distinguished from a Kerr black hole by any measurement or observation restricted to the macroscopic spacetime exterior to the horizon. Here we determine the interior solution, the surface stress tensor, and the Komar mass and angular momentum localized on the slowly rotating horizon surface. With the interior equation of state fixed at p = –ρ, finite junction conditions on the null horizon surface necessarily lead to an interior solution with a singular core, where the perturbative expansion breaks down. Comparison to other models and implications for more rapidly rotating gravastars are briefly discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Ekman-driven salt transport as a key mechanism for open-ocean polynya formation at Maud Rise

Open-ocean polynyas formed over the Maud Rise, in the Weddell Sea, during the winters of 2016–2017. Such polynyas are rare events in the Southern Ocean and are associated with deep convection, affecting regional carbon and heat budgets. Using an ocean state estimate, we found that during 2017, early sea ice melting occurred in response to enhanced vertical mixing of heat, which was accompanied by mixing of salt. The melting sea ice compensated for the vertically mixed salt, resulting in a net buoyancy gain. An additional salt input was then necessary to destabilize the upper ocean. This came from a hitherto unexplored polynya-formation mechanism: an Ekman transport of salt across a jet girdling the northern flank of the Maud Rise. Such transport was driven by intensified eastward surface stresses during 2015–2018. Our results illustrate how highly localized interactions between wind, ocean flow and topography can trigger polynya formation in the open Southern Ocean.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Multiscale Modeling Framework for Lithium Nucleation in 3D Porous Carbon Anodes

Porous carbon scaffolds offer a promising route for mitigating non-uniform lithium (Li) plating to enhance the safety and longevity of Li metal batteries. However, the influence of microstructural morphology on Li nucleation is not well understood. Here, we present a multiscale modeling framework to investigate how the porous microstructure of carbon materials affects Li nucleation behavior. Ab initio molecular dynamics simulations quantify the nucleation energy barriers of Li on graphene as a function of Li content, surface curvature, and applied potential, providing key parameters for a classical nucleation theory (CNT) model. From macroscale half-cell simulations, we obtained Li concentration and electrical potential profiles to define boundary conditions for mesoscopic simulations. At the mesoscale, three distinct synthetic 3D microstructures with different porosities and characteristic feature sizes are generated to resolve local distributions of Li flux, current density, and mechanical stress. These outputs are integrated into the CNT model to map spatial variation in nucleation rates. Our findings reveal trade-offs between suppressing nucleation rates and achieving spatial uniformity, offering design guidelines for optimizing porous carbon anodes to balance nucleation control and mechanical integrity.

Materials science↗

DOE OSTI2025

Importance of Considering Near-Surface Attenuation in Earthquake Source Parameter Estimation: Insights from Kappa at a Dense Array in Oklahoma

ABSTRACT Separating earthquake source spectra from propagation effects is challenging. The propagation effect contains a site-dependent term related to the high attenuation of shallow sediments. Neglecting the site-dependent attenuation can cause large biases and scattering in the corner-frequency (fc) estimates, resulting in significant stress-drop deviations. In this study, we investigate shallow attenuation at the LArge-n Seismic Survey in Oklahoma (LASSO) and site-related biases and scattering in source parameter measurements due to simplified attenuation models. We measure the high-frequency spectral decay parameter kappa on the vertical acceleration spectra of regional earthquakes (125 km away). The site-dependent kappa (κ0,acc) suggests that attenuation increases rapidly at shallow depth and is highly site-dependent. 10%–75% of the attenuation is site-dependent for S waves and even larger for P waves. The quality factor for S waves (QS) ranges from 10 to 100 in the upper 400 m. QP for P waves is mostly below 10 within the same depth. The Quaternary sediments tend to be more attenuating (QS<30), but the Permian rocks also can have high attenuation. We demonstrate that using a non-site-dependent attenuation model in single-spectra fitting leads to large scattering in fc estimates among stations with apparent good fits. The apparent fc can significantly deviate when the range of site-dependent kappa is large or with a higher assumed source spectral fall-off rate n. The biases in apparent fc depend on site condition and distance; however, the correlation between fc and these factors might not be obvious, depending on model assumptions. An apparent increase of stress drop with magnitude in a previous study for local microearthquakes (1.3

Chang, Hilary↗

NASA NTRS1972

Tensile failure criteria for fiber composite materials

The analysis provides insight into the failure mechanics of these materials and defines criteria which serve as tools for preliminary design material selection and for material reliability assessment. The model incorporates both dispersed and propagation type failures and includes the influence of material heterogeneity. The important effects of localized matrix damage and post-failure matrix shear stress transfer are included in the treatment. The model is used to evaluate the influence of key parameters on the failure of several commonly used fiber-matrix systems. Analyses of three possible failure modes were developed. These modes are the fiber break propagation mode, the cumulative group fracture mode, and the weakest link mode. Application of the new model to composite material systems has indicated several results which require attention in the development of reliable structural composites. Prominent among these are the size effect and the influence of fiber strength variability.

Rosen, B. W.↗

NASA NTRS1975

A coupled fluid-structure dynamic analysis for water impact loads

In this paper a nonlinear transient, hydroelastic method is developed for response analysis of the Space Shuttle recoverable booster on water impact. At each time step, coupled equations of fluid flow and structure dynamics are solved with an iterative, self-correcting process. Rigid body motions are represented by large angle equations. Local deformations are represented by a NASTRAN-generated model of the three-dimensional structure. The fluid is represented by series solutions of the potential flow equation which include the effects of the local structure motions. The resulting water loads and structural stresses obtained will aid in qualification of the final structural design. Comparisons are made to experimental impact data to validate the method.

Herting, D. N.↗

NASA NTRS1976

Rolling-contact deformation of MgO single crystals

Magnesium oxide single crystals were used as a model bearing material and deformed by rolling contact with a steel ball 0.64 cm in diameter. A dependence of depth of slip on rolling velocity which persisted with increasing numbers of rolling-contact cycles was discovered. The track width, track hardness and dislocation interactions as observed by transmission electron microscopy all increased in a consistent manner with increasing cycles. The rolling-contact state of stress produces a high density of dislocations in a localized zone. Dislocation interaction in this zone produces cleavage-type cracks after a large number of rolling-contact cycles. The orientation of the crystal influences the character of dislocation accumulation.

Dufrane, K. F.↗

NASA NTRS1980

Western Regional Remote Sensing Conference Proceedings, 1979

Remote sensing users from the 14 western states explained their diverse applications of LANDSAT data, discussed operational goals, and exchanged problems and solutions. In addition, conference participants stressed the need for increased cooperation among state and local governments, private industry, and universities to aid NASA's objective of transferring to user agencies the ability to operationally use remote sensing technology for resource and environmental quality management.

Source record↗

NASA NTRS1988

A fiber-resin micromechanics analysis of the delamination front in a DCB specimen

A 3-D finite element model was developed to analyze the fiber-resin behavior near the delamination front in a graphite-epoxy double cantilever beam (DCB) specimen. The specimen interior was analyzed using a typical one-fiber slice, represented by a local 3-D fiber-resin model. The resin stresses were computed for the resin-rich layer at the ply interface as well as for the regions between the fibers close to the delamination front. However, the computed strain energy release rate G sub I along the delamination front varied by less than two percent, and was within about four percent of the plane-strain value. The von Mises yield criterion was used to estimate the extent of yielding near the delamination front. The yielding extended ahead of the delamination and also developed between the fibers. Although the fibers had only a negligible effect on G sub I, they caused yielding within the ply and therefore could influence delamination fracture toughness. The normal and shear stresses at the fiber-resin interface were computed near the delamination front. These results suggest that multi-axial stress criteria may be required to analyze fiber-resin interfaces.

Crews, J. H.↗

NASA NTRS1988

Geodetic measurement of deformation in California

The very long baseline interferometry (VLBI) measurements made in the western U.S. since 1979 as part of the NASA Crustal Dynamics Project provide discrete samples of the temporal and spatial deformation field. The interpretation of the VLBI-derived rates of deformation requires an examination of geologic information and more densely sampled ground-based geodetic data. In the first two of three related studies embodying this thesis triangulation and trilateration data measured on two regional networks are processed, one in the central Mojave Desert and one in the Coast Ranges east of the San Andreas fault. At the spatial scales spanned by these local geodetic networks, auxiliary geologic and geophysical data have been utilized to examine the relation between measured incremental strain and the accommodation of strain seen in local geological structures, strain release in earthquakes, and principal stress directions inferred from in situ measurements. In the third study, VLBI data from stations distributed across the Pacific - North American plate boundary zone in the western United States are processed. The VLBI data have been used to constrain the integrated rate of deformation across portions of the continental plate boundary in California and to provide a tectonic framework to interpret regional geodetic and geologic studies.

Sauber, Jeanne Marie↗

NASA NTRS1989

Plate motions and deformations from geologic and geodetic data

The very long baseline interferometry (VLBI) measurements made in the western U.S. since 1979 provide discrete samples of the temporal and spatial deformation field. The interpretation of the VLBI derived rates of deformation requires an examination of geologic information and more densely sampled ground based geodetic data. Triangulation and trilateration data measured on two regional networks, one in the central Mojave Desert and one in the Coast Ranges east of the San Andreas fault, were processed. At the spatial scales spanned by these local geodetic networks, auxiliary geologic and geophysical data were utilized to examine the relation between measured incremental strain and the accommodation of strain seen in local geologic structures, strain release in earthquakes, and principal stress directions inferred from in situ measurements. VLBI data was also processed from stations distributed across the Pacific-North America plate boundary zone in the western U.S. The VLBI data were used to constrain the integrated rate of deformation across portions of the continental plate boundary in California and to provide a tectonic framework to interpret regional geodetic and geologic studies.

Jordan, Thomas H.↗

NASA NTRS1989

Geodetic measurement of deformation in California

The very long baseline interferometry (VLBI) measurements made in the western U.S. since 1979 as part of the NASA Crustal Dynamics Project provide discrete samples of the temporal and spatial deformation field. The interpretation of the VLBI-derived rates of deformation requires an examination of geologic information and more densely sampled ground-based geodetic data. In the first two of three related studies, triangulation and trilateration data measured on two regional networks, one in the central Mojave Desert and one in the Coast Ranges east of the San Andreas fault, have been processed. At the spatial scales spanned by these local geodetic networks, auxiliary geologic and geophysical data have been utilized to examine the relation between measured incremental strain and the accommodation of strain seen in local geological structures, strain release in earthquakes, and principal stress directions inferred from in situ measurements. In a third study, the geocentric position vectors from a set of 77 VLBI experiments beginning in October 1982 have been used to estimate the tangential rate of change of station positions in the western U.S. in a North-America-Fixed reference frame.

Sauber, Jeanne↗

NASA NTRS1989

Modelling and measurement of crack closure and crack growth following overloads and underloads

Ignoring crack growth retardation following overloads can result in overly conservative life predictions in structures subjected to variable amplitude fatigue loading. Crack closure is believed to contribute to the crack growth retardation, although the specific closure mechanism is dabatable. The delay period and corresponding crack growth rate transients following overload and overload/underload cycles were systematically measured as a function of load ratio and overload magnitude. These responses are correlated in terms of the local 'driving force' for crack growth, i.e. the effective stress intensity factor range. Experimental results are compared with the predictions of a Dugdale-type (1960) crack closure model, and improvements in the model are suggested.

Dexter, R. J.↗

NASA NTRS1989

NASA-UVA light aerospace alloy and structures technology program

The report on progress achieved in accomplishing of the NASA-UVA Light Aerospace Alloy and Structures Technology Program is presented. The objective is to conduct interdisciplinary graduate student research on the performance of next generation, light weight aerospace alloys and associated thermal gradient structures in close collaboration with researchers. The efforts will produce basic understanding of material behavior, new monolithic and composite alloys, processing methods, solid and fluid mechanics analyses, measurement advances, and a pool of educated graduate students. The presented accomplishments include: research on corrosion fatigue of Al-Li-Cu alloy 2090; research on the strengthening effect of small In additions to Al-Li-Cu alloys; research on localized corrosion of Al-Li alloys; research on stress corrosion cracking of Al-Li-Cu alloys; research on fiber-matrix reaction studies (Ti-1100 and Ti-15-3 matrices containing SCS-6, SCS-9, and SCS-10 fibers); and research on methods for quantifying non-random particle distribution in materials that has led to generation of a set of computer programs that can detect and characterize clusters in particles.

Gangloff, Richard P.↗

NASA NTRS1990

Free convection in the Matian atmosphere

The 'free convective' regime for the Martian atmospheric boundary layer (ABL) was investigated. This state occurs when the mean windspeed at the top of the ABL drops below some critical value U(sub c) and positive buoyant forces are present. Such forces can arise either from vertical temperature or water vapor gradients across the atmospheric surface layer. During free convection, buoyant forces drive narrow plumes that ascend to the inversion height with a return circulation consisting of broad slower-moving downdraughts. Horizontal pressure, temperature, windspeed, and water vapor fluctuations resulting form this circulation pattern can be quite large adjacent to the ground (within the surface layer). The local turbulent fluctuations cause non-zero mean surface stresses, sensible heat fluxes, and latent heat fluxes, even when the mean regional windspeed is zero. Although motions above the surface layer are insensitive to the nature of the surface, the sensible and latent heat fluxes are primarily controlled by processes within the interfacial sublayer immediately adjacent to the ground during free convection. Thus the distinction between aerodynamically smooth and rough airflow within the interfacial sublayer is more important than for the more typical situation where the mean regional windspeed is greater than U(sub c). Buoyant forces associated with water vapor gradients are particularly large on Mars at low pressures and high temperatures when the surface relative humidity is 100 percent, enhancing the likelihood of free convection under these conditions. On this basis, Ingersol postulated the evaporative heat losses from an icy surface on Mars at 237 K and current pressures would exceed the available net radiative flux at the surface, thus prohibiting ice from melting at low atmospheric pressures. Schumann has developed equations describing the horizontal fluctuations and mean vertical gradients occurring during free convection. Schumann's model was generalized to include convection driven by water vapor gradients and to include the effects of circulation above both aerodynamically smooth and rough surfaces.

Clow, G. D.↗

NASA NTRS1992

Preliminary Design Of Adhesively Bonded Composite Joints

Joints symmetrical and long enough to withstand cyclic loads and hygrothermal effects. Step-by-step procedure for preliminary design of adhesively bonded joints between laminated fiber-reinforced-matrix composite bars based on simplified methods for prediction of microstresses and local strengths, including interlaminar strengths. Involves approximate calculations of stresses in various components of joint. Includes calculations to determine such critical parameters as minimum length, maximum shear stress in adhesive, and peeloff stress. Deleterious effects of cyclic loading, increased temperature, and humidity also taken into account.

Chamis, C. C.↗