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At least 37 records · Page 2

Interface Nucleus Templating of Modular Intermetallic Morphologies: Chemical Pressure Complementarity, Columnar Domains, and Complex Disorder in Y 13 Ag 42.7 Zn 29.7

One element of the diversity of intermetallic phases is the formation of complex structures from the assembly of fragments of simpler structures. Recently, we devised the Interface Nuclear Approach as a model for understanding such modular arrangements, in which the intergrowth of different structures is driven by chemical pressure (CP) relief at shared motifs at the domain interfaces, referred to as interface nuclei. In this Article, we present the synthesis, crystal structure, and CP analysis of a new compound that expands on this theme, Y 13 Ag 42.7 Zn 29.7 . Its hexagonal structure contains interpenetrating domains based on the CaPd 5+x and EuMg 5 types. The CaPd 5+x -based regions are reminiscent of the lamellar intergrowth structures previously observed in the Y−Ag−Zn system. In Y 13 Ag 42.7 Zn 29.7 , however, the domains have a different morphology, forming columns that adopt a hexagonal rod-packing. The geometrical features of the remaining spaces are assigned, using the program GrowDomain, to the cores of trigonal units of the EuMg 5 type, while layers of disordered atoms occur at heights along z where the parent structures are mismatched. At the CaPd 5+x -type/EuMg 5 -type interfaces, simple interface nucleus motifs with strong CP-complementarity can be identified, while their distribution within the parent structures supports the notion of templated architectures in modular intermetallics.

Chemical structure↗

Lowest-dimensional portals to SU( N ) exotics

New matter fields charged under the strong nuclear force would have dramatic phenomenological implications. In this work, we systematically explore how these new states, which we postulate belong to some representation of SU(3) of quantum chromo-dynamics, could interact with standard model fields: We analyze all lowest-dimensional “portal” operators for any SU(3) representation, and motivated by grand unification, we extend our results to SU( N ) for N > 3. We provide a publicly available python code, “tessellation,” that automatically constructs said lowest-dimensional portal operators for any new exotic matter field charged under SU( N ) for any N .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A User’s Guide to the PLTEMP/ANL Code

PLTEMP/ANL V4.4 is a program that obtains a steady-state flow and temperature solution, in geometrical extent, for a nuclear reactor core, or a single fuel assembly, including the effect of manufacturing and modelling uncertainties by the means of hot channel factors. It is based on an evolutionary sequence of codes originally used for calculating plate temperatures, hence “PLTEMP”, developed at Argonne National Laboratory over the past 30 years. Fueled and non-fueled regions are modeled. Each fuel assembly consists of one or more plates or tubes separated by coolant channels. The fuel plates may have one to five layers of different materials, each with heat generation. The width of a fuel plate may be divided into multiple longitudinal stripes, each with its own axial power shape. Depending upon the heat transfer method selected, the temperature solution is effectively 2-dimensional or 3-dimensional. The geometry may be either slab or radial, corresponding to fuel assemblies made of a series of flat (or slightly curved) plates, or of nested tubes. A variety of thermal-hydraulic correlations are available to determine safety margins such as onset of nucleate boiling ratio (ONBR), departure from nucleate boiling ratio (DNBR), and onset of flow instability ratio (OFIR). Coolant properties for either light or heavy water are obtained from FORTRAN functions rather than from tables. The code is intended for thermal-hydraulic analysis of research reactor performance in the sub-cooled boiling regime. Both turbulent and laminar flow regimes can be modeled. Options to calculate both forced flow and natural circulation are available. A general search capability for select design and safety parameters is available to greatly reduce the reactor analyst’s time.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Probabilistic Programming for Transportable Source Characterization and Uncertainty Quantification of the North Korean Nuclear Tests 2006–2017

Here, we introduce a transportable technique to determine the yield and depth of burial (DOB) from seismic source spectra of underground nuclear explosions. We demonstrate this technique on the six declared North Korean nuclear tests. This approach derives source spectra in absolute units from regional phase (Pg) amplitudes by correcting the observations for geometric spreading, attenuation, and site amplification. We couple the source spectra and explosion source models with a probabilistic programming framework that integrates deep learning techniques and Bayesian modeling. This approach permits the exchange of information across various data categories to quantify both the data and model uncertainty. This technique stands out as an innovative use of broad‐area propagation models, making it transportable across various geologic settings. This method proves to be effective in scenarios with diverse and/or limited observational data, even when the source depth is unknown. We present new independent estimates of absolute yield and DOB that are consistent with the prior assessments, underscoring the potential of this method in enhancing transportable nuclear explosion monitoring capabilities.

58 GEOSCIENCES↗

T RI M E ++: Multi-threaded triangular meshing in two dimensions

We present T RI M E ++, a multi-threaded software library designed for generating two-dimensional meshes for intricate geometric shapes using the Delaunay triangulation. Multi-threaded parallel computing is implemented throughout the meshing procedure, making it suitable for fast generation of large-scale meshes. Three iterative meshing algorithms are implemented: the DistMesh algorithm, the centroidal Voronoi diagram meshing, and a hybrid of the two. We compare the performance of the three meshing methods in T RI M E ++, and show that the hybrid method retains the advantages of the other two. The software library achieves significant parallel speedup when generating large-scale meshes containing between 10 4 to 10 7 points. T RI M E ++ can handle complicated geometries and generates adaptive meshes of high quality.

97 MATHEMATICS AND COMPUTING↗

Geometry Mesher

This program implements tetrahedral meshing for implicitly-defined geometries, focusing on meshing unions of geometric primitives like spheres and cylinders. This enables users to quickly generate quality meshes of truss lattice and filament structures.

Watts, SethE [Lawrence Livermore National Laborato↗

A Smoothed Augmented Lagrangian Framework for Convex Optimization with Nonsmooth Constraints

Augmented Lagrangian (AL) methods have proven remarkably useful in solving optimization problems with complicated constraints. The last decade has seen the development of overall complexity guarantees for inexact AL variants. Yet, a crucial gap persists in addressing nonsmooth convex constraints. To this end, we present a smoothed augmented Lagrangian (AL) framework where nonsmooth terms are progressively smoothed with a smoothing parameter $\eta _k$ . The resulting AL subproblems are $\eta _k$ -smooth, allowing for leveraging accelerated schemes. By a careful selection of the inexactness level $\epsilon _k$ (for inexact subproblem resolution), the penalty parameter $\rho _k$ , and smoothing parameter $\eta _k$ at epoch k, we derive rate and complexity guarantees of $\tilde{\mathcal {O}}(1/{\varepsilon }^{3/2})$ and $\tilde{\mathcal {O}}(1/{\varepsilon })$ in convex and strongly convex regimes for computing an ${\varepsilon }$ -optimal solution, when $\rho _k$ increases at a geometric rate, a significant improvement over the best available guarantees for AL schemes for convex programs with nonsmooth constraints. Analogous guarantees are developed for settings with $\rho _k = \rho$ as well as $\eta _k = \eta$ . Preliminary numerics on a fused Lasso problem display promise.

augmented Lagrangian↗

Constraints on Dynamical Dark Energy from Multiple Probes in the Full Dark Energy Survey

We present results on dark energy evolution, assuming a time-dependent equation of state $w(a)=w_0+w_a(1-a)$, from growth and geometric probes using the full six-year Dark Energy Survey dataset: type Ia supernovae, baryon acoustic oscillations, and weak gravitational lensing and galaxy clustering (3$\times$2pt). The combination yields $w_0=-0.84^{+0.10}_{-0.10}$ and $w_a=-0.44^{+0.60}_{-0.55}$, the tightest constraints ever obtained from a single survey, with $2.2σ$ deviation from a cosmological constant. Adding the DESI DR2 BAO data yields $w_0=-0.84^{+0.06}_{-0.07}$ and $w_a=-0.53^{+0.33}_{-0.28}$, representing the most stringent low-redshift-only test of dynamical dark energy to date, with a $2.3σ$ deviation. In this combination, adding 3$\times$2pt doubles the constraining power. Finally, when combined with primary CMB information, we obtain $w_0=-0.82^{+0.05}_{-0.05}$, $w_a=-0.63^{+0.21}_{-0.18}$, with a $3.0σ$ deviation. We find that including 3$\times$2pt in the previously studied SN + DESI BAO + CMB combination leaves the significance essentially unchanged ($3.2 σ$ to $3.0σ$) while improving the figure of merit by $\sim$10%. We systematically investigate the impact of leaving out each one of the probes and find that the significance of the deviation from a cosmological constant ranges from 2.3 to 3.2$σ$, with best-fit parameters consistently in the region $w_0 >-1$ and $w_a <0$. Excluding SN from the all data combination yields a $2.6σ$ departure from $Λ$CDM, providing a cross-check independent of supernova photometric calibration. These results support the weak preference for evolving dark energy reported by several recent cosmological analyses. By combining growth and geometric probes from a single survey, this work realizes the multi-probe dark energy program envisioned at the inception of DES.

Abbott, T. M.C. [Cerro-Tololo InterAmerican Obs.] ↗

Rate-Based Absorption Modeling for Postcombustion CO 2 Capture with Additively Manufactured Structured Packing

Carbon capture using amine-based solvents in an absorption process is a leading candidate for reducing greenhouse gas emissions in industrial flue gas streams. To reduce operating costs and associated parasitic energy of these processes, process intensification utilizing additively manufactured structured packing has emerged as a new technology to manage exothermic reactions during absorption while improving CO 2 capture. A rate-based model framework has been developed for these novel packings that incorporates the mass and heat transfer phenomena for amine-based absorption of CO 2 . The rate-based model framework is first benchmarked using available solubility data and pilot plant data for aqueous monoethanolamine. The model validation shows accurate prediction of both CO 2 equilibrium partial pressures and ion speciation for solubility data as well as CO 2 capture, temperature profile, and solvent composition for pilot plant data in the absorption column. The model framework is then applied toward predicting the CO 2 capture performance of additively manufactured structured packing. Simulations agree with experimental data in predicting the CO 2 capture and the capture performance increase due to cooling within the structured packing device. Finally, advantages of this rate-based model framework are the utilization of correlations that may predict mass transfer and heat transfer coefficients of the packing based on the geometric properties of the device and the implementation of the model framework in open-source programming.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

304L Can Crush Validation Studies

Accurate prediction of ductile behavior of structural alloys up to and including failure is essential in component or system failure assessment, which is necessary for nuclear weapons alteration and life extensions programs of Sandia National Laboratories. Modeling such behavior requires computational capabilities to robustly capture strong nonlinearities (geometric and material), rate- dependent and temperature-dependent properties, and ductile failure mechanisms. This study's objective is to validate numerical simulations of a high-deformation crush of a stainless steel can. The process consists of identifying a suitable can geometry and loading conditions, conducting the laboratory testing, developing a high-quality Sierra/SM simulation, and then drawing comparisons between model and measurement to assess the fitness of the simulation in regards to material model (plasticity), finite element model construction, and failure model. Following previous material model calibration, a J 2 plasticity model with a microstructural BCJ failure model is employed to model the test specimen made of 304L stainless steel. Simulated results are verified and validated through mesh and mass-scaling convergence studies, parameter sensitivity studies, and a comparison to experimental data. The converged mesh and degree of mass-scaling are the mesh discretization with 140,372 elements, and a mass scaling with a target time increment of 1.0e-6 seconds and time step scale factor of 0.5, respectively. Results from the coupled thermal-mechanical explicit dynamic analysis are comparable to the experimental data. Simulated global force vs displacement (F/D) response predicts key points such as yield, ultimate, and kinks of the experimental F/D response. Furthermore, the final deformed shape of the can and field data predicted from the analysis are similar to that of the deformed can, as measured by 3D optical CMM scans and DIC data from the experiment.

36 MATERIALS SCIENCE↗

Analytical simulation of meander morphology from equilibrium to long-term evolution: Impacts of channel geometry and vegetation-induced coarsening

This study introduces an innovative approach to modeling meandering river morphology, integrating and investigating the effects of geometric characteristics and vegetation-induced channel coarsening. The developed comprehensive framework combines several advanced techniques: Genetic Programming for refining the scour factor of transverse bed slope, a Leaf Area Index (LAI)-enhanced analytical model for quantifying vegetative flow resistance, and an upstream-weighted moving average method for efficient approximation of the convolution integral in meander migration calculations. The model is validated against both an idealized Kinoshita meander and a natural bend of the Tumen River (China) in equilibrium, demonstrating its robustness across diverse scales and conditions. The model's ability to simulate the long-term evolution, including cutoff events, provides valuable insight for river management strategies. The current findings demonstrate that channel geometry, particularly width-to-depth ratio, plays a dominant role in meander evolution, with wider channels prone to more complex and rapid morphological changes. Vegetation effects are most pronounced in channels with moderate width-to-depth ratios, where they can significantly influence migration rates and bed topography. A combination of channel widening and deepening, coupled with strategic vegetation management, can effectively enhance navigability while maintaining channel stability in the studied Tumen River reach. Sensitivity analyses highlight the complex interplay between hydraulic conditions, sediment characteristics, and vegetation in shaping river morphology. This research advances understanding of the multifaceted nature of meandering river systems and offers practical tools for informed decision-making in river engineering and environmental management, particularly in the context of climate change and increasing anthropogenic pressures on fluvial ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Raytracing the long trace profiler

The optical design of the Long Trace Profiler optical system is explored with a commercial raytrace program, Zemax OpticStudio™ (ZOS)1, with the intent of finding and correcting sources of systematic error. ZOS provides both geometric raytracing tools and physical optics Gaussian beam propagation and diffraction image calculation tools, and two design modes, sequential component (SC) and non-sequential component (NSC) that are optimized for different aspects of the design process. The original LTP-II system employs a singlet lens with a 1250 mm focal length. It is optimized to provide minimum distortion over a surface slope angle range of ±5 mrad. Using the ZOS tools, we are able to simulate ghost rays that produce distortion in the beam spot image and can minimize the distortion by deliberate misalignment of the beamsplitter (BS) components. Unfortunately, the reference beam is compromised because of the component tilts. The most recent LTP500 system design simplifies the optical system and makes the reference beam usable again, even with misalignment of the polarizing beamsplitter (PBS). Two lenses are designed for the LTP500 - a cemented doublet that has been fabricated, and a singlet with one aspheric surface. Both have focal distances of 500 mm with an expanded angular measurement range of ±10 mrad. The aspheric singlet provides superior performance. ZOS allows the import of wavefront measurement data produced by commercial interferometer software. We apply the wavefront error measurement from the cemented doublet to the model to show that the 19nm RMS wavefront error needs to be improved by at least a factor of ten in order to reduce the systematic error to a level that will allow the LTP to approach its design limit of a few tens of nanoradians.

Takacs, Peter Z.↗

Calibration of the Falcon Solid-state Energetic Electron Detector (SEED)

The Falcon Solid-state Energetic Electron Detector (FalconSEED) is an energetic charged particle sensor that has been developed and tested at the United States Air Force Academy in an effort to monitor electron flux across the energy range of 14 to 145 keV in geosynchronous orbit. This sensor has been developed to complement ongoing efforts by the Air Force Research Laboratory to advance a comprehensive space environment sensor suite, Compact Environmental Anomaly Sensor (CEASE3), for anomaly resolution. In addition, FalconSEED is intended to demonstrate the ability to operate a radiation sensor based on predominantly commercial off the shelf components in the geosynchronous environment. This paper describes the design, development, and calibration of FalconSEED. The electron energy spectrum of interest for the FalconSEED sensor is 14 to 145 keV, and is intended to supplement data acquired from the CEASE3 instrument for anomaly resolution. The calibrations at the Space Atmospheric Research Center at the United States Air Force Academy and Kirtland Air Force Base were used to first establish the conversion between histogram bin number and deposited energy in the sensor, and second have been used to determine the geometric factor as a function of energy. The FalconSEED will be integrated as a science payload on the Space Test Program Satellite-6 which also includes the first flight of the CEASE3 instrument and is scheduled to launch in 2021.

47 OTHER INSTRUMENTATION↗

Domain Decomposition for Integer Optimal Control with Total Variation Regularization

Total variation integer optimal control problems admit solutions and necessary optimality conditions via geometric variational analysis. In spite of the existence of said solutions, algorithms which solve the discretized objective suffer from high numerical cost associated with the combinatorial nature of integer programming. Hence, such methods are often limited to small and medium-sized problems. We propose a globally convergent, coordinate descent–inspired algorithm that allows tractable subproblem solutions restricted to a partition of the domain. Our decomposition method solves relatively small trust-region subproblems that modify the control variable on a subdomain only. Given nontrivial subdomain overlap, we prove that a global first-order necessary optimality condition is equivalent to a first-order necessary optimality condition per subdomain. We additionally show that a sufficient decrease is achieved on a single subdomain by way of a trust-region subproblem solver using geometric measure–theoretic arguments, which we integrate with a greedy patch selection to prove convergence of our algorithm. In conclusion, we demonstrate the practicality of our algorithm on a benchmark large-scale, PDE-constrained integer optimal control problem and find that our method is faster than the state of the art.

domain decomposition↗

Holographic entanglement distillation from the surface state correspondence

We study correlations between geometric subfactors living on the Ryu-Takayanagi surface that bounds the entanglement wedge. Using the surface-state correspondence and the bit threads program, we are able to calculate mutual information and conditional mutual information between subfactors. This enables us to count the shared Bell pairs between subfactors, and we propose an entanglement distillation procedure over these subsystems via a SWAP gate protocol. We comment on extending to multipartite entanglement.

99 GENERAL AND MISCELLANEOUS↗

OPTIMIZATION OF A NUCLEAR VESSEL OUTLET FOR INCIDENT MONITORING

Classical nuclear core fluidic design techniques require improvement to better align with modern technological innovations. The US Department of Energy’s Office of Nuclear Energy (DOE-NE) Transformational Challenge Reactor (TCR) program is deploying additive manufacturing and advanced modeling and simulation to reimagine these designs. With the aid of modern computing power, computerized design optimization can be implemented to remove unwanted pressure drop while simultaneously optimizing flow structures, resulting in new opportunities to enable advanced instrumentation and monitoring capabilities.Previous development of geometric specifications for the TCR pressure vessel’s outlet plenum used design optimization to (1) limit pressure losses below 3.5 kPa (~0.5 psi) and (2) create a fluidic plane in which the temperature variation would not exceed ±5°C. This significant limit of the allowable pressure drop stems from the overarching goal of the TCR program to apply cutting edge techniques and unconventional thinking to demonstrate potential opportunities in additive manufacturing (AM).This paper expands the previous work by optimizing thermowell locations for robust measurements by explicitly modeling them and the resulting flow impacts. Additionally, a single core coolant channel was chosen to represent an event that causes an increased bulk flow temperature increase of 100°C.High fidelity unsteady Reynolds-averaged Navier-Stokes (URANS) simulations of the conjugate heat transfer problem were run in Siemen’s Star-CCM+ for this study. Next, the bulk flow temperature of a single coolant channel was increased by 100°C and was allowed to converge again. Finally, statistical analysis using a sequential probability ratio test (SPRT) was used to determine the elapsed time the thermocouples took to discover the increased bulk flow temperature.

See, Nate↗

Carbon Additive Manufacturing with a Near-Replica “Green-to-Brown” Transformation

Nanocomposites containing nanoscale materials offer exciting opportunities to encode nanoscale features into macroscale dimensions, which produces unprecedented impact in material design and application. However, conventional methods cannot process nanocomposites with a high particle loading, as well as nanocomposites with the ability to be tailored at multiple scales. A composite architected mesoscale process strategy that brings particle loading nanoscale materials combined with multiscale features including nanoscale manipulation, mesoscale architecture, and macroscale formation to create spatially programmed nanocomposites with high particle loading and multiscale tailorability is reported. The process features a low-shrinking (<10%) “green-to-brown” transformation, making a near-geometric replica of the 3D design to produce a “brown” part with full nanomaterials to allow further matrix infill. Here, this demonstration includes additively manufactured carbon nanocomposites containing carbon nanotubes (CNTs) and thermoset epoxy, leading to multiscale CNTs tailorability, performance improvement, and 3D complex geometry feasibility. The process can produce nanomaterial-assembled architectures with 3D geometry and multiscale features and can incorporate a wide range of matrix materials, such as polymers, metals, and ceramics, to fabricate nanocomposites for new device structures and applications.

36 MATERIALS SCIENCE↗