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At least 127 records · Page 7

Multiscale Modeling of Ablation and Pyrolysis in PICA-Like materials

During atmospheric entry of planetary probes, the thermal protection system (TIPS) of the probe is exposed to high temperatures under low pressures. In these conditions, carbonous fibrous TIPS materials may undergo oxidation leading to mass loss and wall recession called ablation. This work aims to improve the understanding of material/environment interactions through a study of the coupling between oxygen transport in the Knudsen regime, heterogeneous oxidation of carbon, and surface recession. A 3D Random Walk Monte Carlo simulation tool is used for this study. The fibrous architecture of a model material, consisting of high porosity random array of carbon fibers, is numerically represented on a 3D Cartesian grid. Mass transport in the Knudsen regime from the boundary layer to the surface, and inside this porous material is simulated by random walk. A reaction probability is used to simulate the heterogeneous oxidation reaction. The surface recession of the fibers is followed by front tracking using a simplified marching cube approach. The output data of the simulations are ablation velocity and dynamic evolution of the material porosity. A parametric study is carried out to analyze the material behavior as a function of Knudsen number for the porous media (length of the mean free path compared to the mean pore diameter) and the intrinsic reactivity of the carbon fibers. The model is applied to Stardust mission reentry conditions and explains the unexpected behavior of the TIPS material that underwent mass loss in volume.

Lachaud, Jean↗

Electrokinetic In Situ Treatment of Metal-Contaminated Soil

An electrokinetic technique has been developed as a means of in situ remediation of soils, sludges, and sediments that are contaminated with heavy metals. Examples of common metal contaminants that can be removed by this technique include cadmium, chromium, zinc, lead, mercury, and radionuclides. Some organic contaminants can also be removed by this technique. In the electrokinetic technique, a low-intensity direct current is applied between electrodes that have been implanted in the ground on each side of a contaminated soil mass. The electric current causes electro-osmosis and migration of ions, thereby moving aqueous-phase subsurface contaminants from one electrode to the other. The half reaction at the anode yields H+, thereby generating an acid front that travels from the anode toward the cathode. As this acid front passes through a given location, the local increase in acidity increases the solubility of cations that were previously adsorbed on soil particles. Ions are transported towards one electrode or the other which one depending on their respective electric charges. Upon arrival at the electrodes, the ionic contaminants can be allowed to become deposited on the electrodes or can be extracted to a recovery system. Surfactants and other reagents can be introduced at the electrodes to enhance rates of removal of contaminants. Placements of electrodes and concentrations and rates of pumping of reagents can be adjusted to maximize efficiency. The basic concept of electrokinetic treatment of soil is not new. What is new here are some of the details of application and the utilization of this technique as an alternative to other techniques (e.g., flushing or bioremediation) that are not suitable for treating soils of low hydraulic conductivity. Another novel aspect is the use of this technique as a less expensive alternative to excavation: The cost advantage over excavation is especially large in settings in which contaminated soil lies near and/or under industrial buildings and therefore excavation would be made even more expensive by the need to prevent damage to numerous underground pipes and cables.

Quinn, Jacqueline↗

A Short-Lived Isotope Counting System (SLICS) to measure reaction cross sections producing light, beta-decaying nuclei on OMEGA

A new activation detector optimized for short-lived isotopes was designed, installed, and tested on OMEGA. The Short-Lived Isotope Counting System (SLICS) can be positioned as close as 35 cm from the OMEGA target chamber center in a ten-inch-manipulator. Stable target samples can be mounted on the front end of the detector assembly to undergo triton-, deuteron-, or neutron-induced reactions that produce short-lived reaction products that beta decay. The emitted betas are detected in a phoswich configuration to eliminate the gamma background. The detector is optimized for isotopes with half-lives from 150 ms to 20 s, filling a gap in OMEGA’s current activation detectors for isotopes with half-lives >5 min. In a pilot study, SLICS achieved an efficiency of 24.5% ± 2.0% for counting 8Li, with a total of 505.8 ± 4.4 qualifying events. Using the existing triton laser-ion acceleration platform on OMEGA, this detector can be used to measure rarely studied tritium-induced reactions on light nuclei with an estimated uncertainty of 12%. As a result, the design of the detector and its performance during a first experiment employing deuterium as a surrogate will be discussed.

Beta spectrometry↗

Controlled patterning of crystalline domains by frontal polymerization

Materials with hierarchical architectures that combine soft and hard material domains with coalesced interfaces possess superior properties compared with their homogeneous counterparts. These architectures in synthetic materials have been achieved through deterministic manufacturing strategies such as 3D printing, which require an a priori design and active intervention throughout the process to achieve architectures spanning multiple length scales. Here we harness frontal polymerization spin mode dynamics to autonomously fabricate patterned crystalline domains in poly(cyclooctadiene) with multiscale organization. This rapid, dissipative processing method leads to the formation of amorphous and semi-crystalline domains emerging from the internal interfaces generated between the solid polymer and the propagating cure front. The size, spacing and arrangement of the domains are controlled by the interplay between the reaction kinetics, thermochemistry and boundary conditions. Small perturbations in the fabrication conditions reproducibly lead to remarkable changes in the patterned microstructure and the resulting strength, elastic modulus and toughness of the polymer. Furthermore, this ability to control mechanical properties and performance solely through the initial conditions and the mode of front propagation represents a marked advancement in the design and manufacturing of advanced multiscale materials. Drawing inspiration from biological systems in which structural complexity develops through dissipative reaction–diffusion processes, this study explores a transformative synthetic manufacturing strategy aimed at harnessing the principles underpinning morphogenic growth, unlocking new avenues for advanced materials design and fabrication. Synthetic coupled reaction-transport processes offer a versatile yet relatively underexplored method to manipulate the spatial attributes of synthetic materials10. Here we introduce an innovative manufacturing approach based on frontal ring-opening metathesis polymerization (FROMP) that draws parallels with morphogenic growth and development, enabling the formation of patterned microstructures within polymeric materials.

36 MATERIALS SCIENCE↗

A Novel Application of Ultrasonic Imaging to Study Smoldering Combustion

An ultrasonic imaging technique has been developed to examine the propagation of a smolder reaction within a porous combustible material. The technique provides information about the location of a propagating smolder front, as well as line-of-sight average permeability variations of the smoldering material. The method utilizes the observation that transmission of an ultrasonic signal through a porous material increases with permeability. Since a propagating smolder reaction leaves behind char with a higher permeability than the original material, ultrasound transmission can be employed to monitor smolder progress. The technique can also be used to track the char evolution as it continues to react. Experiments are presented where the technique is applied to smoldering combustion in a two-dimensional geometry. The results have furthered the understanding of two-dimensional smolder, especially in identifying the controlling mechanisms leading to the transition from smoldering to flaming. The applicability of ultrasonic tomography to smoldering combustion has also been investigated.

Tse, S. D.↗

Dust-void evolution driven by turbulent dust flux can induce runaway migration of Earth-mass planets

Torques from asymmetric dust structures (so-called dust-void and filamentary structures) formed around low-mass planets embedded in a nonturbulent dust-gas disk can exceed the torques produced by the gas disk component and then go on to dominate the planet’s orbital dynamics. Here, we investigate how these structures (hence the dust torque) change when the effect of turbulent dust diffusion and dust feedback are included, along with the direct implications on the migration of Earth-like planets. Using the FARGO3D code, we performed 2D and 3D multifluid hydrodynamic simulations, focusing on a non-migrating planet with a mass of M p = 1.5 M ⊕ in 2D and on migrating planets with M p ∈ [1.5, 12] M ⊕ in 3D. We varied the δ-dimensionless diffusivity parameter in the range [0, 3 × 10 −3 ] and considered three different Stokes numbers, St = {0.04, 0.26, 0.55}, which are representative of the gas-dominated, the transitional, and the gravity-dominated regimes, respectively. In our 2D models, we find that turbulent diffusion of dust prevents the formation of the dust-void and filamentary structures when δ > 3 × 10 −4 . Otherwise, dust structures survive turbulent diffusion flow. However, dust and total torques become positive only in transitional and gravity-dominated regimes. In our 3D models, we find that the dust-void is drastically modified and the high-density ring-shaped barrier delineating the dust-void disappears if δ ≳ 10 −4 , due to the effect of dust turbulent diffusion along with the back-reaction of the dust. For all values of δ, the filament in front of the planet is replaced by a low-density trench. Remarkably, as we have allowed the planets to migrate, the evolving dust-void can drive either runaway migration or outward (inward) oscillatory-torque migration. Our study thus suggests that low-mass Earth-like planets can undergo runaway migration in dusty disks.

79 ASTRONOMY AND ASTROPHYSICS↗

A GPU-based 2D shallow water quality model

In this paper, a 2D shallow water flow solver integrated with a water quality model is presented. The interaction between the main water quality constituents included is based on the Water Quality Analysis Simulation Program. Efficiency is achieved by computing with a combination of a Central Processing Unit (CPU) and a Graphics Processing Unit (GPU) device. This technique is intended to provide robust and accurate simulations with high computation speedups with respect to a single-core CPU in real events. The proposed numerical model is evaluated in cases that include the transport and reaction of water quality components over irregular bed topography and dry–wet fronts, verifying that the numerical solution in these situations conserves the required properties (C-property and positivity). The model can operate in any steady or unsteady form allowing an efficient assessment of the environmental impact of water flows. The field data from an unsteady river reach test case are used to show that the model is capable of predicting the measured temporal distribution of dissolved oxygen and water temperature, proving the robustness and computational efficiency of the model, even in the presence of noisy signals such as wind speed.

54 ENVIRONMENTAL SCIENCES↗

Structure development in silicon sheet by shaped crystallization

Models are presented for the development of a parallel twinned structure of the 110 plane type and the 112 line type in silicon ribbons. The models are believed to be mutually compatible and operable. The first model relates the requirements for super-cooling during crystallization. The existence of reentrant angles associated with the twin structure is proposed to provide a rough interface to reduce super-cooling. The spacing of the twins is proposed to be limited by the geometrical relationship between the thermal gradient in the liquid and the dimensions of the twinned crystallization front. The second model relates the thermal stress configuration to detail dislocation reactions which would be expected to develop twins. While a specific dislocation mechanism cannot yet be defined, a number of alternatives are presented. All of these various dislocation mechanisms would result in the observed crystalline configuration and the choice among them is not critical.

Leipold, M. H.↗

On stability of premixed flames in stagnation - Point flow

A quantitative description of flame stabilization in stagnation-point flow is proposed. Asymptotic and stability analyses are made for a flame model where the density of the gas is assumed to be constant and the reaction zone is assumed to be narrow and concentrated over the flame front. It is shown that, if blowing is sufficiently strong, the corrugations disappear and a plane flame results. The phenomena cannot be fully described by means of classical linear stability analysis.

Sivashinsky, G. I.↗

Stationary premixed flames in spherical and cylindrical geometries

Stationary source-free spherical flames ('flame balls') in premixed combustible gases were studied by employing low-gravity (micro-g) environments in a drop tower and an aircraft flying parabolic trajectories to diminish the impact of buoyancy-induced convective flow. Flame balls were found in all mixture families tested when: (1) the Lewis number Le of the deficient reactant was sufficiently low; and (2) the compositions were sufficiently close to the flammability limits. Probably as a consequence of the reduction in buoyant convection, the flammability limits at micro-g were significantly more dilute than those at Earth gravity; for example, 3.35% H2 vs 4.0% H2 in lean H2-air mixtures. By comparison with analytical and computational models, it is inferred that the phenomenon is probably related to diffusive-thermal effects in low-Le mixtures in conjunction with flame-front curvature and radiative heat losses from the combustion products. The chemical reaction mechanism appears to play no qualitative role. In the aircraft experiments, the gravity levels (approximately equal 10(exp -2)g(sub 0)) were found to cause noticeable motion of flame balls due to buoyancy, which in turn influenced the behavior of flame balls. At these g levels, a new type of transient, nearly cylindrical flame structure, termed 'flame strings,' was observed.

Ronney, P. D.↗

Improvement in the Thermal-to-Structural Model Mapping Process for Integrated Modeling for the Roman Space Telescope

Integrated Modeling has been a key component of verifying optical requirements for the Nancy Grace Roman Space Telescope (RST) that are either impossible or impractical to verify exclusively through ground testing. Two major areas for integrated Modeling are Jitter and Thermal Distortion that require the exchanges of model performance predictions across disciplines. In both cases, distortions are impressed on optical models to evaluate the impact on boresight alignment and wave front error. In the case of Jitter, the disturbances are driven by reactions to motions most often from actuators; however, in the case of thermal distortion, the motions are driven by thermal expansion or contraction as a result of changing temperatures. This then requires a link further upstream to the thermal model, which is used to predict the thermal performance and temperature gradients and stability. The process for mapping temperatures from a thermal model to a corresponding structural model has been performed numerous times through the RST project lifecycle, with improvements in the accuracy, verification, and effort sought throughout. This paper describes some of the recent improvements to the process, including: capture of the visualization parameters, automatic generation of the mapped images for both the thermal and structural model groupings, and reduction in the effort to assemble the full set of mapped temperatures. These upgrades have greatly reduced the manual effort associated with thermal mapping and allowed for faster turn-around of Integrated Modeling predictions.

Thermal Mapping↗

Mechanistic understanding of carbon mineralization in fracture systems using microfluidics

Carbon mineralization in mafic and ultramafic rocks presents an opportunity for permanent carbon storage in the Earth's subsurface. However, due to their lower permeability, pre-existing fracture networks are key for mineralization to occur. Therefore, to fully develop this technology, a mechanistic understanding of the mineralization behavior in fractures with the consideration of hydrodynamic components is required. We use high-pressure microfluidics to investigate key mechanisms influencing dissolution–precipitation in a fracture network. The experiments were conducted in micromodels made of natural rocks with a comb-shaped flow channel to mimic a fracture network. This enabled studying the effect of injection rate on coupled dissolution–precipitation in advection and diffusion-dominated flow paths. We used gypsum carbonation as an analog reaction to allow for realistic experimental time frames due to its rapid reaction kinetics. The experimental work is coupled with high-fidelity numerical simulations to enhance our understanding of the parameters affecting the mineralization reaction. Our results demonstrate the importance of flow rate on the rate and nature of the gypsum carbonation reaction revealing that higher flow rates enable deeper penetration of the mineral precipitation front into the dead-end channels. This is an important finding since for sustained mineralization in a fracture network, precipitation in dead-ends while still allowing for flowing fractures is critical. Detailed characterization of the precipitates showed that lower flow rates led to porous and loose precipitates in the form of aragonite while higher flow rates mimicked supersaturation behavior leading to the formation of calcite. The reactive transport simulations further demonstrated the significance of flow velocity in advection-dominated channels to influence the efficiency of carbon mineralization in diffusion-dominated channels, potentially clogging of dead-end channels. These findings highlight the need for coupling chemical, mechanical, and hydrodynamic processes to evaluate the nature and extent of carbon mineralization in fractured media critical for permanent storage in mafic and ultramafic formations. This research further highlights the need for more investigation in potential subsurface fracture generation techniques to aid carbon mineralization.

25 ENERGY STORAGE↗

Flash x-ray radiography analysis of detonation wave propagation in additive-manufactured high explosives

Recent research has demonstrated that additive manufacturing (AM) can be used to produce directionally sensitive high explosives (HEs), but detonation wave propagation in AM HEs with variable internal structure has not been studied. In this work, samples were printed using a 73 wt. % octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine-based HE ink. Flash x-ray radiography imaging was used to observe density changes in two imaging planes of each sample during detonation, and high-speed imaging was used to calculate the detonation velocity at the HE surface. The detonation front initially appears to fail in internal channel regions of the HE, but late reactions occurred in two samples, which increased the material bulk density by 2.8%, possibly due to shock convergence phenomena. The calculated detonation wave pressure similarly increased, but the accuracy of the results is uncertain because of the deviation of the low bulk density printed samples from the cast charge principal isentrope. Here, this work demonstrates that structure can be effectively utilized to guide detonation wave propagation through HE charges.

3D printing↗

Fission with Exotic Nuclei (Full Technical Report)

Despite its importance for stockpile stewardship or nuclear forensics, data on fission is fragmentary: most experiments have only been performed on stable actinide nuclei and are often incomplete, and theoretical simulations often contain many parameters hard to constrain, which results in large uncertainties. Consequently, nuclear libraries have large gaps for important isotopes. The goal of this project was to prepare to take advantage of the unprecedented yields of radioactive isotopes at the upcoming DOE Facility for Rare Ion Beams and to leverage recent progress in the field of machine learning to develop a comprehensive program of fission studies that could address some of the most pressing problems in nuclear fission over the next several decades. Our project leveraged synergies between experimental nuclear physics, nuclear theory, and data science expertise at LLNL. On the experimental front, our main objective was to develop in-house expertise for inverse kinematics reactions with relativistic beams as well as to field and test new detectors to perform correlated measurements of fission properties. On the theoretical side, the objective was to develop a novel, high-fidelity and scalable approach of fissionfragment calculations based on emulating computationally expensive, quantum-mechanical calculations of nuclear properties with deep neural networks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Annual Research Briefs - 1996, Center for Turbulence Research

Partial contents include: (1) Simulation of jet impingement heat transfer with the k-e-V2 model; (2) A new methodology for turbulence modelers using Direct Numerical Simulation (DNS) database analysis; (3) A particle representation model for the deformation of homogeneous turbulence; (4) Modeling of inhomogeneous compressible turbulence using a two-scale statistical theory; (5) Lewis number effects on partially premixed flames; (6) Conditional moment closure of mixing and reaction in turbulent non-premixed combustion; (7) Dynamic models for LES of turbulent front propagation with a spectral method; (8) Jet noise using large eddy simulation; (9) Towards numerical simulations of trailing-edge aeroacoustics; (10) A model for the onset of vortex breakdown; (11) Compressing an elliptic vortex: transition to turbulence by tumble breakdown; (12) A new method for the adaptive control of vortex-wall interactions; (13) Symmetries in turbulent boundary layer flows; (14) Near-wall models in large eddy simulations of flow behind a backward-facing step; (15) Assessment of the subgrid-scale models at low and high Reynolds numbers; (16) Large-eddy simulations of flow around a NACA 4412 airfoil using unstructured grids; (17) Progress on LES of flow past a circular cylinder; (18) Experimental investigation of flow through an asymmetric plane diffuser; (19) Progress in the large-eddy simulation of an asymmetric plane diffuser; (20) A numerical study of self-similarity in a turbulent plane wake using large-eddy simulation; (21) On the generation of turbulent inflow conditions for boundary layer simulations, and (22) A new class of finite difference schemes.

COMPUTATIONAL FLUID DYNAMICS↗

Module-Level Solutions For Degradation by Ionization Damage

After years of improving module efficiency while targeting mean degradation rates of 0.5 to 0.6 %/y for crystalline silicon technology, there is much evidence that the degradation rates are now increasing significantly. Contributing factors include:Radiation damage (UV-Light Induced Degradation): Trina solar: -4.5%/y degradation rate in Singapore, DOE National Laboratory Regional Test Centers showed degradation of -1% < r < -2%/y in crystalline silicon modules, Jinko Solar: -4% < r < -7% efficiency loss from 540 MJ/m-2 of UV-A light, ISFH: 15% relative power loss during of 1.8 GJ/m-2 UV exposure, attributed to H+. Electrical bias from positive system voltage (e.g., +1000 V, +1500 V) can drive ions and metallization through the encapsulation, NREL: Ion transport can affect the cell passivation, resulting in power loss of 5% to 40% in p-PERC+ (bifacial), NREL: Damage at cell rear with up to 17% power at cell fronts in n-PERT modules. Delamination can also occur due to cell surface reactions driven by light and bias.

module efficiency↗

Comments on the SURFplus reactive burn model

The SURFplus reactive burn model is intended for heterogeneous solid HE that produce an excess amount of carbon. It utilizes a fast hotspot reaction (SURF model) plus a second slow reaction for the energy release from carbon clustering. The fast reaction dominates shock initiation, though the fast rate parameters are slightly affected by the late energy release from the slow reaction. The slow reaction has a significant affect on propagating detonation waves. Propagating detonation waves are characterized by the curvature effect; i.e., detonation speed $D_n$ as function of the local front curvature κ. The $D_n(κ)$ curves have a qualitative different shape. This results from the sensitivity of the slope of the $D_n(κ)$ curve to the reaction-zone width up to the sonic point, and the sonic point moving as κ increases from the end of the slow reaction to the neighborhood of the end of the fast reaction. For PBX 9502, the steep slope for small curvature is determined by the slow reaction, while the lower slope for larger curvature is determined by the fast reaction rate in the high detonation pressure regime. The remainder of this paper is organized as follows. In section 2 we review the assumptions of the Shaw and Johnson carbon cluster model used by the SURFplus model for the slow reaction. Section 3 describes in detail the mixture model for a partly burned HE. The form of the slow rate used by the SURFplus model is described in section 4. We conclude with a brief discussion of applying a burn model with 2 rates to either a metalized or a composite PBX.

42 ENGINEERING↗