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At least 667 records · Page 37

Fuel performance analysis of fully-resolved TRISO compact

The TRi-structural ISOtropic (TRISO) fuel multilayered coating structure offers multiple barriers to fission product release, enhancing safety and performance. The heterogeneous nature of TRISO fuel compacts, comprising thousands of randomly distributed coated fuel particles embedded in a graphite matrix, creates intricate stress fields and thermal gradients that cannot be accurately modeled using simplified one-dimensional or homogenized approaches. Consequently, three-dimensional modeling enables the prediction of fuel compact dimensional changes, internal pressure buildup, and fission product transport pathways under diverse irradiation and thermal conditions. This capability facilitates detailed analysis of particle-to-particle interactions, matrix cracking mechanisms, and the statistical distribution of coating failures, which directly impact fuel performance and safety margins. This capability is particularly critical for advanced reactors, such as high-temperature gas-cooled reactors and other Generation IV reactor designs where TRISO fuel operates at elevated temperatures and burn-up levels. This work introduces a novel method to generate an optimized packing of TRISO compacts and a complete 3D mesh with random distribution of TRISO particles, which are discretized into each coating component layer.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nonperturbative random matrix model of N = 2 JT supergravity

It is shown how to nonperturbatively define a random matrix model that captures key physics of N = 2 Jackiw-Teitelboim supergravity, going well beyond the perturbative topological expansion defined recently by Turiaci and Witten. A decomposition into an infinite family of certain multicritical models is derived, leading to the definition of a nonlinear ordinary differential equation from which the physics may be computed. Bogomol’nyi-Prasad-Sommerfield (BPS) states are naturally described by the model. The nonperturbative completions of the spectral densities for non-BPS multiplets are readily extracted. Published by the American Physical Society 2024

Johnson, Clifford V. (ORCID:0000000189645830)↗

Three-dimensional radiative transfer using a Fourier-transform matrix-operator method

The three-dimensional equation of transfer for a scattering medium with planar geometry is solved by using a spatial Fourier transform and extending matrix-operator techniques developed previously for the one-dimensional equation. Doubling and adding algorithms were derived by means of an interaction principle for computing the Fourier-transformed radiation field. The resulting expressions fully describe the radiative transfer process in a scattering medium, inhomogeneous in the x-, y- and z-directions, illuminated from above by an arbitrarily general intensity field and bounded from below by a surface with completely general reflection properties.

Martonchik, J. V.↗

Fiber-reinforced ceramic composites for Earth-to-orbit rocket engine turbines

Fiber reinforced ceramic matrix composites (FRCMC) are emerging materials systems that offer potential for use in liquid rocket engines. Advantages of these materials in rocket engine turbomachinery include performance gain due to higher turbine inlet temperature, reduced launch costs, reduced maintenance with associated cost benefits, and reduced weight. This program was initiated to assess the state of FRCMC development and to propose a plan for their implementation into liquid rocket engine turbomachinery. A complete range of FRCMC materials was investigated relative to their development status and feasibility for use in the hot gas path of earth-to-orbit rocket engine turbomachinery. Of the candidate systems, carbon fiber-reinforced silicon carbide (C/SiC) offers the greatest near-term potential. Critical hot gas path components were identified, and the first stage inlet nozzle and turbine rotor of the fuel turbopump for the liquid oxygen/hydrogen Space Transportation Main Engine (STME) were selected for conceptual design and analysis. The critical issues associated with the use of FRCMC were identified. Turbine blades were designed, analyzed and fabricated. The Technology Development Plan, completed as Task 5 of this program, provides a course of action for resolution of these issues.

Brockmeyer, Jerry W.↗

Mineralogy and Textural Characteristics of Fine-grained Rims in the Yamato 791198 CM2 Carbonaceous Chondrite: Constraints on the Location of Aqueous Alteration

Carbonaceous chondrites provide important clues into the nature of physical and chemical processes in the early solar system. A question of key importance concerns the role of water in solar nebular and asteroidal processes. The effects of water on primary mineral assemblages have been widely recognized in chondritic meteorites, especially the CI and CM carbonaceous chondrites. These meteorites have undergone extensive aqueous alteration that occurred prior to their arrival on Earth. In the case of the CM chondrites, this alteration has resulted in the partial to complete replacement of the primary nebular phases with secondary alteration phases. Considerable controversy exists as to the exact location where the alteration of the CM chondrites occurred. Several textural lines of evidence have been cited in support of aqueous alteration prior to the accretion of the final parent asteroid. An important line of evidence to support this hypothesis is the dis-equilibrium nature of fine-grained rims and matrix materials. [2] also noted the juxtaposition of micron-sized Fe-Ni metal grains and apparently unaltered chondrule glass against hydrated rim silicates. Conversely, there is a large body of evidence in favor of parent body alteration such as the occurrence of undisturbed Fe-rich aureoles and the systematic redistribution of elemental components over millimeters, e.g., Mg(+2) into the matrix and Fe(+2) into chondrules etc.

Chizmadia, Lysa J.↗

Radiation induced amorphization of carbides in additively manufactured and conventional ferritic-martensitic steels: In-situ experiments on extraction replicas

In-situ irradiations using 1 MeV Kr 2+ ions in a transmission electron microscope were performed on extraction replica samples containing M 23 C 6 carbides and MX carbonitrides from two ferritic-martensitic (FM) steels: (i) 9%Cr-1%W-TaV based Eurofer97 and (ii) 9%Cr-1%Mo-VNb (all in wt.%) based additively manufactured (AM) Grade91 steel. The irradiations were performed between 100 and 773 K up to a maximum dose of ~2.4 displacements per atom (dpa). The M 23 C 6 carbides are highly susceptible to radiation induced amorphization (RIA), while the MX type nanoprecipitates are highly amorphization resistant across the entire irradiation temperature range. Between 100 and 423 K, RIA of M 23 C 6 carbides occurs very rapidly with critical amorphization doses ranging between ~0.35 and 0.9 dpa, increasing to higher doses at 573 K. Complete amorphization of the M 23 C 6 carbides up to doses of ~2.4 dpa is not possible at 773 K under the present irradiation conditions. The critical amorphization dose of M 23 C 6 carbides increases nearly exponentially with irradiation temperature. The critical temperature for the crystalline-to-amorphous phase transformation (T c→a ) of M 23 C 6 carbides irradiated as replica samples, i.e. without the surrounding metal matrix, was estimated to be ~812 K. Comparing the present results with neutron irradiation data on bulk samples reveals a decrease in the critical amorphization dose for M 23 C 6 and an increase of T c→a , highlighting the effect of dose rate on the amorphization behavior that is qualitatively consistent with literature on other non-metals. Changes in the minor chemistry of M 23 C 6 , such as presence or absence of W, V, Nb, Mo, seems to have little effect on the amorphization behavior. Here, in-situ irradiations on extraction replica samples provide a novel pathway to explore radiation tolerance of nanoprecipitates in nuclear structural materials

36 MATERIALS SCIENCE↗

Superallowed 0 + → 0 + nuclear β decays: 2020 critical survey, with implications for V ud and CKM unitarity

A new critical survey of all half-life, decay-energy and branching-ratio measurements related to 23 superallowed 0 + → 0 + β decays is presented. Included are 222 individual measurements of comparable precision obtained from 174 published references. Compared with our last survey in 2015, we have added results from 28 new publications and eliminated an approximately equal number whose results have been superseded by much more precise modern data. We obtain world-average ft values for each of the 21 transitions that have a complete set of data, then apply radiative and isospin-symmetry-breaking corrections to extract “corrected” Ft values. Fifteen of these Ft values now have a precision of 0.3% or better and all take the same value within statistics, as expected from conservation of the vector current. Their average, Ft¯, when combined with the muon lifetime, yields the up-down quark-mixing element of the Cabibbo-Kobayashi-Maskawa matrix, V ud = 0.97373 ± 0.00031. This is lower than our 2015 result by one standard deviation and its uncertainty is increased by 50%. This is a consequence, not of any shifts in the experimental data, but of new calculations for the radiative corrections. The lower V ud value now leads to greater tension in the top-row test of unitarity in the CKM matrix. Updates in experimental data have independently led to a factor-of-two tighter limit being set on the possible existence of a scalar interaction. In conclusion, the new limit on Fierz interference is b F ≤ 0.0033 at the 90% confidence level.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Apollo 15 rake sample microbreccias and non-mare rocks: Bulk rock, mineral and glass electron microprobe analyses

Quantitative electron microprobe data of Apollo 15 nonmare rake samples are presented. Bulk analyses of lithic fragments in the nomare rocks (expressed in oxide weight-percent) and the corresponding CIPW molecular norms are given. The mineralogy of the rocks and lithic fragments are also given; structural formulae for complete analyses and molecular end-members for all mineral analyses are included. The mineral analyses include pyroxene, olivine, plagioclase, barian K-feldspar, spinel and ilmenite, cobaltian metallic nickel-iron as well as SiO2-K2O-rich residual glass. Electron micropobe analyses (oxide weight percent) of glasses in loose fines and microbreccia samples and their CIPW molecular norms are presented along with electron microprobe data on bulk, mineral, and matrix glass from chondrules.

Hlava, P. F.↗

A greedy algorithm for computing eigenvalues of a symmetric matrix with localized eigenvectors

Here, we present a greedy algorithm for computing selected eigenpairs of a large sparse matrix $H$ that can exploit localization features of the eigenvector. When the eigenvector to be computed is localized, meaning only a small number of its components have large magnitudes, the proposed algorithm identifies the location of these components in a greedy manner, and obtains approximations to the desired eigenpairs of $H$ by computing eigenpairs of a submatrix extracted from the corresponding rows and columns of $H$. Even when the eigenvector is not completely localized, the approximate eigenvectors obtained by the greedy algorithm can be used as good starting guesses to accelerate the convergence of an iterative eigensolver applied to $H$. We discuss a few possibilities for selecting important rows and columns of $H$ and techniques for constructing good initial guesses for an iterative eigensolver using the approximate eigenvectors returned from the greedy algorithm. We demonstrate the effectiveness of this approach with examples from nuclear quantum many-body calculations and many-body localization studies of quantum spin chains.

97 MATHEMATICS AND COMPUTING↗

Solving quasi-free and quadratic Lindblad master equations for open fermionic and bosonic systems

The dynamics of Markovian open quantum systems are described by Lindblad master equations. For fermionic and bosonic systems that are quasi-free, i.e. with Hamiltonians that are quadratic in the ladder operators and Lindblad operators that are linear in the ladder operators, we derive the equation of motion for the covariance matrix. This determines the evolution of Gaussian initial states and the steady states, which are also Gaussian. Using ladder super-operators (a.k.a. third quantization), here we show how the Liouvillian can be transformed to a many-body Jordan normal form which also reveals the full many-body spectrum. Extending previous work by Prosen and Seligman, we treat fermionic and bosonic systems on equal footing with Majorana operators, shorten and complete some derivations, also address the odd-parity sector for fermions, give a criterion for the existence of bosonic steady states, cover non-diagonalizable Liouvillians also for bosons, and include quadratic systems. In extension of the quasi-free open systems, quadratic open systems comprise additional Hermitian Lindblad operators that are quadratic in the ladder operators. While Gaussian states may then evolve into non-Gaussian states, the Liouvillian can still be transformed to a useful block-triangular form, and the equations of motion for k-point Green’s functions form a closed hierarchy. Based on this formalism, results on criticality and dissipative phase transitions in such models are discussed in a companion paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Design of a vehicle based system to prevent ozone loss

This project is designed to be completed over a three year period. Overall project goals are: (1) to understand the processes that contribute to stratospheric ozone loss; (2) to determine the best scheme to prevent ozone loss; and (3) to design a vehicle based system to carry out the prevention scheme. The 1993/1994 design objectives included: (1) to review the results of the 1992/1993 design team, including a reevaluation of the key assumptions used; (2) to develop a matrix of baseline vehicle concepts as candidates for the delivery vehicle; and (3) to develop a selection criteria and perform quantitative trade studies to use in the selection of the specific vehicle concept.

Talbot, Matthew D.↗

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗

Randomized Cholesky Preconditioning for Graph Partitioning Applications

Graph partitioning has emerged as an area of interest due to its use in various applications in computational research. One way to partition a graph is to solve for the eigenvectors of the corresponding graph Laplacian matrix. This project focuses on the eigensolver LOBPCG and the evaluation of a new preconditioner: Randomized Cholesky Factorization (rchol). This proconditioner was tested for its speed and accuracy against other well-known preconditioners for the method. After experiments were run on several known test matrices, rchol appears to be a better preconditioner for structured matrices. This research was sponsored by National Nuclear Security Administration Minority Serving Institutions Internship Program (NNSA-MSIIP) and completed at host facility Sandia National Laboratories. As such, after discussion of the research project itself, this report contains a brief reflection on experience gained as a result of participating in the NNSA-MSIIP.

97 MATHEMATICS AND COMPUTING↗

Self-consistent Pauli corrections in Brueckner-Hartree-Fock calculations

A scheme is introduced which makes it feasible to make completely self-consistent Brueckner-Hartree-Fock (BHF) and renormalized BHF calculations for spherical, closed-shell and axially-symmetric deformed nuclei. The usual requirement or orbital self-consistency has been imposed, as well as self-consistency in the starting energies and occupation probabilities. Previously, only approximate forms were used for the Pauli operator. This approximation is removed and a method for making the necessary Pauli corrections to the reaction matrix during the approach to self-consistency is presented. A discussion of the symmetries which reduce the problem to one of manageable proportions is included.

Braley, R. C.↗

Hybrid quantum-classical simulations of magic angle spinning dynamic nuclear polarization in very large spin systems

Solid-state nuclear magnetic resonance can be enhanced using unpaired electron spins with a method known as dynamic nuclear polarization (DNP). Fundamentally, DNP involves ensembles of thousands of spins, a scale that is difficult to match computationally. This scale prevents us from gaining a complete understanding of the spin dynamics and applying simulations to design sample formulations. We recently developed an ab initio model capable of calculating DNP enhancements in systems of up to ~1000 nuclei; however, this scale is insufficient to accurately simulate the dependence of DNP enhancements on radical concentration or magic angle spinning (MAS) frequency. We build on this work by using ab initio simulations to train a hybrid model that makes use of a rate matrix to treat nuclear spin diffusion. We show that this model can reproduce the MAS rate and concentration dependence of DNP enhancements and build-up time constants. Finally, we then apply it to predict the DNP enhancements in core–shell metal-organic-framework nanoparticles and reveal new insights into the composition of the particles’ shells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigation of the effect of thermal exposure on the mechanical properties of titanium/SiC composites

The objective was to evaluate the influence of thermal exposure, both isothermal and cyclic, on the reaction kinetics, mechanical properties and fracture behavior of Ti-1100 alloy/SiC fiber composites. Previously, it was determined that composites made with TiB2 coated SiC fiber (sigma) reacted at the same rate as SCS-6 fibers. As a result, the thinner surface coating on the Sigma fiber was completely consumed at shorter times than that on the SCS-6. Thermal cycling experiments were conducted on longitudinal and transverse Ti-1100/SCS-6 composites over a temperature range of 150 to 800 C for 500 cycles. The thermal exposures were carried out in air and argon. No appreciable tensile strength degradation was observed for samples cycled in argon, although a strength loss was noted for the samples cycled in air. Fracture surfaces characterization showed brittle matrix failure in regions near the surface and in regions where there was a path for O2 ingress.

Gundel, Douglas B.↗

Polymeric Materials Resistant to Erosion by Atomic Oxygen

Polymer-matrix composites are ideally suited for space vehicles because of high strength to weight ratios. The principal component of the low earth orbit (LEO) is atomic oxygen. Atomic oxygen causes surface erosion to polymeric materials. Polymer films with an organometallic additive showed greater resistance to atomic oxygen than the pure polymer in laboratory experiments and in the OPM/MIR experiment. In MISSE, the film with the organometallic additive was still intact after the pure film had completely eroded.

Kiefer, Richard L.↗

Embedding of Fiber Optic Sensors in Stainless Steel for Sensing in Harsh Environments

Structural health monitoring is critical for components working in harsh environments to assess their safety and integrity. This can be realized with advanced sensors, such as fiber optic sensors, embedded in these components. Recent studies have used ultrasonic consolidation (UC) and laser-based additive manufacturing (AM) techniques to embed fiber optic sensors in metals. However, sensor embedding using these techniques has been challenging, with gaps and voids around the embedded fiber. Successful embedding of fiber optic sensors requires good contact between the fiber and the matrix to eliminate potential gas/liquid leaks in critical systems such as in nuclear and aerospace services. Defect-free fiber/matrix bond is also essential for accurate measurement of parameters of interest, such as temperature and strain. This study developed a novel fiber embedding technique based on electric field-assisted sintering (EFAS). Sapphire optical fibers with diameters of 125 µm and 250 µm were embedded in stainless steel (SS) 316L using EFAS. The embedding was completed by sintering SS 316L powders at a pressure of 50MPa, hold time of 5 min, and temperatures of 1000°C, 1100°C, and 1200°C. Joule heating mechanism during EFAS enabled rapid sintering of the SS 316L powder with resulting sample densities over 99%. Microscopy analysis performed on the cross-sections revealed a defect-free bond between the embedded fiber and SS 316L. The good integrity of the embedded fiber was evidenced by optical transmittance measurement. Optical attenuation of the fiber before and after embedment was examined in the near-infrared region. Scanning electron microscopy was employed to investigate the grain morphology of SS 316L near the embedded fiber. Hardness distribution in the sintered part was also investigated to study the effect of the embedded fiber on the mechanical properties of the as-fabricated component. The results indicated that EFAS was able to embed fiber in SS with good fiber functionality and part quality.

36 - MATERIALS SCIENCE↗