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At least 181 records · Page 10

Semi‐Volatile Organic Partitioning Improves Simulation of Biomass Burning Aerosol Mixing State Evolution

Biomass burning aerosols significantly contribute to atmospheric composition and radiative forcing, with black carbon (BC) mixing states critically influencing optical properties and climate impacts. Recent field observations reveal a systematic three‐phase evolution in BC coating thickness during plume aging: rapid initial growth, quasi‐equilibrium, and gradual coating loss. Current models misrepresent this evolution due to oversimplified treatment of organic aerosol volatility. Here we demonstrate that incorporating semi‐volatile organic partitioning through the MATRIX‐VBS model fundamentally improves simulation accuracy compared to traditional non‐volatile approaches. Evaluation against four field campaigns spanning fresh to aged plumes shows MATRIX‐VBS successfully captures the observed three‐phase pattern, and global application reveals universal three‐phase evolution with substantial regional variations. These advances address critical gaps in aerosol mixing state representation and provide essential improvements for climate model predictions in wildfire‐affected regions.

Gao, Chloe Yuchao [Fudan Univ., Shanghai (China); ↗

Modeling and life prediction methodology for Titanium Matrix Composites subjected to mission profiles

Titanium matrix composites (TMC) are being evaluated as structural materials for elevated temperature applications in future generation hypersonic vehicles. In such applications, TMC components are subjected to complex thermomechanical loading profiles at various elevated temperatures. Therefore, thermomechanical fatigue (TMF) testing, using a simulated mission profile, is essential for evaluation and development of life prediction methodologies. The objective of the research presented in this paper was to evaluate the TMF response of the (0/90)2s SCS-6/Timetal-21S subjected to a generic hypersonic flight profile and its portions with a temperature ranging from -130 C to 816 C. It was found that the composite modulus, prior to rapid degradation, had consistent values for all the profiles tested. A micromechanics based analysis was used to predict the stress-strain response of the laminate and of the constituents in each ply during thermomechanical loading conditions by using only constituent properties as input. The fiber was modeled as elastic with transverse orthotropic and temperature dependent properties. The matrix was modeled using a thermoviscoplastic constitutive relation. In the analysis, the composite modulus degradation was assumed to result from matrix cracking and was modeled by reducing the matrix modulus. Fatigue lives of the composite subjected to the complex generic hypersonic flight profile were well correlated using the predicted stress in 0 degree fibers.

Mirdamadi, M.↗

Direct Feed High-Level Waste APPS Model Glass Testing (DFHLW APPS) Matrix, Phase 2

This report summarizes the data collected during the batching and melting of a second matrix of Direct Feed High-Level Waste (DFHLW) glasses generated using the preliminary enhanced waste glass models (EWG2.5) and the Britton and Anderson (2024) preliminary DFHLW feed vector. The purpose of these glasses is two-fold: 1. Validate EWG2.5 glass calculations being used in the Aspen Process Performance Simulation (APPS) model. 2. Evaluate and ultimately improve the glass property models and formulation methods used for design of DFHLW glasses as part of an iterative process of data collection and model refinement. Some of the 16 APPS2 glasses tested did not satisfy all target property constraints due to the limited data on DFHLW glass supporting the EWG2.5 models. • One glass, APPS2-10, formed nepheline on canister centerline cooling (CCC) heat-treatment and failed the product consistency test (PCT) response limits. This glass also had high B and Cr release rates for the toxicity characteristic leaching procedure (TCLP). All other glasses were found to satisfy the PCT and TCLP constraints for both quenched and CCC samples. • One glass, APPS2-08, had higher than acceptable viscosity due to magnetite crystallization. • One glass, APPS2-09, formed greater than 2 vol% crystals at 950 °C. As the glass design criterion was that the temperature at 2 vol% crystal (T 2% ) be less than 950 °C, only one glass failed the criteria. However, this criterion is being reevaluated. Four additional glasses formed crystal fractions between 1 and 2 vol% at 950 °C (APPS2-03, -08, -12, and -14). • Four glasses – APPS2-01, -02, -04, and -16 – failed the Monofrax K-3 refractory neck corrosion (k neck ) design limit of 0.04 in. at 1208 °C for 6 d. This is another criterion being reevaluated. Four additional glasses (APPS2-05, -06, -11, and -13) exhibited 0.025 = k neck = 0.04 in. • All 16 glasses passed the sulfur solubility and TCLP constraints. The measured property values were compared to predicted values using EWG2.5 and a selection of other existing models. A few models (e.g., electrical conductivity, TCLP) were found to be adequate for designing DFHLW glasses in the near future, while others require refits or offsets. It is recommended that new property models be developed for EWG3.0, as a large amount of DFHLW glass property data (> 14 × existing data) is expected to be collected in the compositional spaces where no data was previously available. To enable near-term calculations and formulations for designing DFHLW glasses and processing rate estimations, a formulation algorithm with minor modifications will be developed, EWG2.6.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Variability simulations with a steady, linearized primitive equations model

Solutions of the steady, primitive equations on a sphere, linearized about a zonally symmetric basic state are computed for the purpose of simulating monthly mean variability in the troposphere. The basic states are observed, winter monthly mean, zonal means of zontal and meridional velocities, temperatures and surface pressures computed from the 15 year NMC time series. A least squares fit to a series of Legendre polynomials is used to compute the basic states between 20 H and the equator, and the hemispheres are assumed symmetric. The model is spectral in the zonal direction, and centered differences are employed in the meridional and vertical directions. Since the model is steady and linear, the solution is obtained by inversion of a block, pente-diagonal matrix. The model simulates the climatology of the GFDL nine level, spectral general circulation model quite closely, particularly in middle latitudes above the boundary layer. This experiment is an extension of that simulation to examine variability of the steady, linear solution.

Kinter, J. L., III↗

Chondrule-matrix relationships in chondritic meteorites

The relationship between chondrules and matrix (fine grained material with a grain size less than 5 micrometers) in chondritic meteorites has been the subject of considerable controversy and no consensus currently exists. The coexistence of these two components in meteorites with bulk compositions that deviate only slightly from CI abundances suggests that cosmochemically their origins are closely linked. Any consideration of the relationship between chondrules and matrix hinges to a large degree on the origin of matrix. The entire spectrum of models exists from matrix as a nebular product to derivation entirely from chondrules. Early models of solar nebular evolution viewed chondrites as a two-component mixture of high- and low-temperature condensates. However, this model has been challenged by the recognition that the nebula was probably not uniformly vaporized.

Brearley, A. J.↗

The Design of Mechanically Compatible Fasteners for Human Mandible Reconstruction

Mechanically compatible fasteners for use with thin or weakened bone sections in the human mandible are being developed to help reduce large strain discontinuities across the bone/implant interface. Materials being considered for these fasteners are a polyetherertherketone (PEEK) resin with continuous quartz or carbon fiber for the screw. The screws were designed to have a shear strength equivalent to that of compact/trabecular bone and to be used with a conventional nut, nut plate, or an expandable shank/blind nut made of a ceramic filled polymer. Physical and finite element models of the mandible were developed in order to help select the best material fastener design. The models replicate the softer inner core of trabecular bone and the hard outer shell of compact bone. The inner core of the physical model consisted of an expanding foam and the hard outer shell consisted of ceramic particles in an epoxy matrix. This model has some of the cutting and drilling attributes of bone and may be appropriate as an educational tool for surgeons and medical students. The finite element model was exercised to establish boundary conditions consistent with the stress profiles associated with mandible bite forces and muscle loads. Work is continuing to compare stress/strain profiles of a reconstructed mandible with the results from the finite element model. When optimized, these design and fastening techniques may be applicable, not only to other skeletal structures, but to any composite structure.

Roberts, Jack C.↗

A Kinetic Model of the Long-Term Corrosion of Glass-Ceramic Materials

Multiphase waste forms show promise for increased waste loading and for the ability to dispose of contaminated solid and particulate waste through direct densification. However, achieving predictive capability for long-term durability of multiphase waste forms, and thus assessing their possible deployment, requires expanding the current, limited knowledge base. Here, we describe the development of a corrosion model of a two-phase waste form consisting of crystals of known volume fraction embedded in a glass matrix. This model accounts for the dissolution of both the crystalline and glass phases as well as the hydration of the glass phase through an ion exchange reaction. Because of the large difference in solubility between the two phases, the reactive surface of the crystalline phase is a function of the extent of dissolution of the glass phase in this model. Model parameterization was performed using corrosion data, such as from single-pass flow-through tests, for the individual phases. The parameterized corrosion model was evaluated against static dissolution test data for a glass-ceramic multiphase waste form. This evaluation demonstrated the model’s ability to reproduce the time-dependent release of key tracers of glass and crystalline phase dissolution. Hence, the development of a kinetic model provides a pathway for long-term durability predictions and thus the use of multiphase waste forms in nuclear cleanup missions.

Kerisit, Sebastien N.↗

Mapping Past, Present, and Future Climatic Suitability for Invasive Aedes Aegypti and Aedes Albopictus in the United States: A Process-Based Modeling Approach Using CMIP5 Downscaled Climate Scenarios

The ongoing spread of the mosquitoes, Aedes aegypti and Aedes albopictus, in the continental United States leaves new areas at risk for local transmission of dengue, chikungunya, and Zika viruses. All three viruses have caused major disease outbreaks in the Americas with infected travelers returning regularly to the U.S. The expanding range of these mosquitoes raises questions about whether recent spread has been enabled by climate change or other anthropogenic influences. In this analysis, we used downscaled climate scenarios from the NASA Earth Exchange Global Daily Downscaled Projections (NEX GDDP) dataset to model Ae. aegypti and Ae. albopictus population growth rates across the United States. We used a stage-structured matrix population model to understand past and present climatic suitability for these vectors, and to project future suitability under CMIP5 climate change scenarios. Our results indicate that much of the southern U.S. is suitable for both Ae. aegypti and Ae. albopictus year-round. In addition, a large proportion of the U.S. is seasonally suitable for mosquito population growth, creating the potential for periodic incursions into new areas. Changes in climatic suitability in recent decades for Ae. aegypti and Ae. albopictus have occurred already in many regions of the U.S., and model projections of future climate suggest that climate change will continue to reshape the range of Ae. aegypti and Ae. albopictus in the U.S., and potentially the risk of the viruses they transmit.

process-based modeling↗

Aspects of a high-resolution scheme for the Navier-Stokes equations

In this paper we emphasize the importance of the form of the numerical dissipation model in computing accurate viscous flow solutions. A high-resolution scheme for viscous flows based on three-point central differencing and a matrix dissipation is considered. The various components of this scheme, including 'entropy fix', limiter function, and boundary-point dissipation are discussed. By analyzing boundary-point dissipation stencils, we confirm that with the matrix dissipation model the normal numerical dissipation terms in the streamwise momentum equation are independent of the Reynolds number. Such independence is not achieved with a scalar dissipation form. The accuracy of the central-difference scheme, with and without matrix dissipation, and the flux-difference split scheme of Roe, which is classified as a high-resolution scheme, is compared. For this comparison, three high Reynolds number laminar flows are considered. Solutions of the Navier-Stokes equations are obtained for low-speed flow over a flat plate, transonic flow over an airfoil with transition near the leading edge, and hypersonic flow over a compression ramp. The emphasis of the comparison is primarily on the details of the viscous flows. The necessity of the high-resolution property is revealed.

Swanson, R. C.↗

Overview of Experimental Investigations for Ares I Launch Vehicle Development

Another concern for the vehicle during its design trajectory was the separation of the first stage solid rocket booster from the upper stage component after it had depleted its solid fuel propellant. There has been some concern about the interstage of the first stage from clearing the nozzle of the J2-X engine. A detailed separation aerodynamic wind tunnel investigation was conducted in the AEDC VKF Tunnel A to help to investigate the interaction aerodynamic effects5. A comparison of the separation plane details between the Ares I architecture and the Ares I-X demonstration flight architecture is shown in figure 12. The Ares I design requires a more complex separation sequence and requires better control in order to avoid contact with the nozzle of the upper stage engine. The interstage, which houses the J2-X engine for the Ares I vehicle, must be able to separate cleanly to avoid contact of the J2-X engine. There is only about approximately 18 inches of buffer inside the interstage on each size of the nozzle so this is a challenging controlled separation event. This complex experimental investigation required two separate Ares I models (upper stage and first stage with interstage attached) with independent strain gauge balances installed in each model. It also required the Captive Trajectory System (CTS) that was needed to precisely locate the components in space relative to each other to fill out the planned test matrix. The model setup in the AEDC VKF Tunnel A is shown in figure 13. The CTS remotely positioned the first stage at the required x, y, and z positions and was able to provide interactions within 0.2" of the upper stage. A sample of the axial force on the first stage booster is shown in figure 14. These results, as a function of separation distance between the two stages, are compared to pre-test CFD results. Since this is a very challenging, highly unsteady flow field for CFD to correctly model, the experimental results have been utilized by GN&C discipline to more accurately represent the interaction aerodynamics. In addition to the integrated forces and moments obtained from the test, flow visualization data was obtained from this test in the form of Schlieren photographs, as shown in figure 15, which show the shock structure and interaction effects after the two stages separate during flight. This separation test was crucial in the successful flight test of the Ares I-X vehicle and provided the GN&C discipline with the unpowered proximity aerodynamic effect for a separation of the Ares I vehicle.

Tomek, William G.↗

Effects of multiple scattering and surface albedo on the photochemistry of the troposphere

The effect of treatment of incoming solar radiation on the photochemistry of the troposphere is discussed. A one dimensional photochemical model of the troposphere containing the species of the nitrogen, oxygen, carbon, hydrogen, and sulfur families was developed. The vertical flux is simulated by use of the parameterized eddy diffusion coefficients. The photochemical model is coupled to a radiative transfer model that calculates the radiation field due to the incoming solar radiation which initiates much of the photochemistry of the troposphere. Vertical profiles of tropospheric species were compared with the Leighton approximation, radiative transfer, matrix inversion model. The radiative transfer code includes the effects of multiple scattering due to molecules and aerosols, pure absorption, and surface albedo on the transfer of incoming solar radiation. It is indicated that significant differences exist for several key photolysis frequencies and species number density profiles between the Leighton approximation and the profiles generated with, radiative transfer, matrix inversion technique. Most species show enhanced vertical profiles when the more realistic treatment of the incoming solar radiation field is included

Augustsson, T. R.↗

Probabilistic Error Bounds for Low-Rank Tensor Decompositions Used in Large-Scale Data Analysis Applications (LDRD Final Report)

This report documents a research project on analyzing low-rank tensor models for data analysis that took place at Sandia National Laboratories from October 2023–September 2025. The focus of this work was to extend theoretical frameworks from statistics and probability theory for use with models for scalar, vector, and matrix data to models with tensor, or general multi-dimensional array, data. Through this work, we have provided a new set of tools for bounding errors on low-rank tensor models of both complete and sampled data. The remainder of this report is organized as follows. In Section 1, we describe the proposed work at the start of the project. Section 2 describes the research advances made as part of the project. Other research contributions in the form of conference presentations and software development is provided in Section 3. Workforce development at Sandia and Florida Atlantic University (via a subcontract on this project) is provided in Section 4.

97 MATHEMATICS AND COMPUTING↗

Space Shuttle critical function audit

A large fault-tolerance model of the main propulsion system of the US space shuttle has been developed. This model is being used to identify single components and pairs of components that will cause loss of shuttle critical functions. In addition, this model is the basis for risk quantification of the shuttle. The process used to develop and analyze the model is digraph matrix analysis (DMA). The DMA modeling and analysis process is accessed via a graphics-based computer user interface. This interface provides coupled display of the integrated system schematics, the digraph models, the component database, and the results of the fault tolerance and risk analyses.

Sacks, Ivan J.↗

Dynamic analysis of Space Shuttle/RMS configuration using continuum approach

The initial assembly of Space Station Freedom involves the Space Shuttle, its Remote Manipulation System (RMS) and the evolving Space Station Freedom. The dynamics of this coupled system involves both the structural and the control system dynamics of each of these components. The modeling and analysis of such an assembly is made even more formidable by kinematic and joint nonlinearities. The current practice of modeling such flexible structures is to use finite element modeling in which the mass and interior dynamics is ignored between thousands of nodes, for each major component. The model characteristics of only tens of modes are kept out of thousands which are calculated. The components are then connected by approximating the boundary conditions and inserting the control system dynamics. In this paper continuum models are used instead of finite element models because of the improved accuracy, reduced number of model parameters, the avoidance of model order reduction, and the ability to represent the structural and control system dynamics in the same system of equations. Dynamic analysis of linear versions of the model is performed and compared with finite element model results. Additionally, the transfer matrix to continuum modeling is presented.

Ramakrishnan, Jayant↗

A model for the analysis of fault-tolerant signal processing architectures

This paper develops a new model, using matrices, for the analysis of fault-tolerant multiprocessor systems. The relationship between processors computing useful data, the output data, and the check processors is defined in terms of matrix entries. Unlike the matrix-based models proposed previously for the analysis of digital systems, this model uses only numerical computations rather than logical operations for the analysis of a system. Algorithms to evaluate the fault detection and location capability of the system are proposed which are much less complex than the existing ones. The new model is used to analyze some fault-tolerant architectures proposed for signal-processing applications.

Nair, V. S. S.↗

Comparison of Micromechanics Theories for Modeling Discontinuous Long Fiber Reinforced Composites

Two micromechanics theories, the high fidelity generalized method of cells and Carrera Unified Formulation, are used to model a repeating unit cell of a discrete long fiber composite. The models are used to predict the effective properties of a single fiber with varying fiber-to-fiber end gap lengths, as well as the local stresses in the fiber and matrix. Both models produced similar results and demonstrated that they could capture the complex local load transfer due to the shear lag effect.

discrete long fiber composites↗

Noise reduction of stochastic density functional theory for metals

Density Functional Theory (DFT) has become a cornerstone in the modeling of metals. However, accurately simulating metals, particularly under extreme conditions, presents two significant challenges. First, simulating complex metallic systems at low electron temperatures is difficult due to their highly delocalized density matrix. Second, modeling metallic warm-dense materials at very high electron temperatures is challenging because it requires the computation of a large number of partially occupied orbitals. This study demonstrates that both challenges can be effectively addressed using the latest advances in linear-scaling stochastic DFT methodologies. Despite the inherent introduction of noise into all computed properties by stochastic DFT, this research evaluates the efficacy of various noise reduction techniques under different thermal conditions. Our observations indicate that the effectiveness of noise reduction strategies varies significantly with the electron temperature. Furthermore, we provide evidence that the computational cost of stochastic DFT methods scales linearly with system size for metal systems, regardless of the electron temperature regime.

Chemistry↗

Constitutive Modeling and Testing of Polymer Matrix Composites Incorporating Physical Aging at Elevated Temperatures

Advanced polymer matrix composites (PMC's) are desirable for structural materials in diverse applications such as aircraft, civil infrastructure and biomedical implants because of their improved strength-to-weight and stiffness-to-weight ratios. For example, the next generation military and commercial aircraft requires applications for high strength, low weight structural components subjected to elevated temperatures. A possible disadvantage of polymer-based composites is that the physical and mechanical properties of the matrix often change significantly over time due to the exposure of elevated temperatures and environmental factors. For design, long term exposure (i.e. aging) of PMC's must be accounted for through constitutive models in order to accurately assess the effects of aging on performance, crack initiation and remaining life. One particular aspect of this aging process, physical aging, is considered in this research.

Veazie, David R.↗