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At least 1,081 records · Page 60

Universality of Collective Density Fluctuations in Liquids at and away from Equilibrium – An Integrated Neutron Scattering, Theoretical, and Computational Study (Final Technical Report)

Liquids, ubiquitous on earth, are prototypical disordered condensed matter. As the mediate phase between non-structured gases and ordered solids, liquids p ossess intriguing complexities that are absent on either extreme counter phase, especially when they are driven away from equilibrium. Despite decades of studies, the physics of liquids still keeps surprising us and challenges our understanding of condensed matter, emergent phenomena, and complex systems. Among the many interesting properties, the nature of collective dynamics in liquids remains elusive because of both the presence of strong interactions and the absence of translational invariance. This project studied the universal features of collective density fluctuations (or collective modes), which include both phonon-like excitations and collective relaxations, in the Q-dependent generalized hydrodynamic regime in liquids and liquid-like matter both at and away from equilibrium. We performed systematic studies of the fast collective dynamics (including both phonon-like excitations and collective relaxations) of four classes of liquids characterized by different fragilities and interactions using synergistically integrated coherent neutron scattering experiments (Inelastic Neutron Scattering (INS), Quasi-Elastic Neutron Scattering (QENS), and Neutron Spin Echo (NSE)), a ViscoElastic Hydrodynamics theory we have been developing, andMolecular Dynamics (MD) simulations and our analysis package LiquidLib. The transformative knowledge of the collective dynamics in liquids is important to understand and ultimately control the transport of mass, energy, and charge in liquids, both at and away from thermal equilibrium, which may will likely impact a wide range of disciplines.

36 MATERIALS SCIENCE↗

Report on FY 2023 Welding R&D at ORNL in support of ASME Alloy 709 Code Case Development

As part of the Alloy 709 (A709) ASME Code Case development effort under the Advanced Reactor Technologies (ART) Program, this work covers the development of the technical basis for weld fabrication and weld qualification of A709. This report summarizes the A709 welding research conducted at Oak Ridge National Laboratory (ORNL) in FY 2023. One of the focuses of the A709 welding research at ORNL is to relax the restriction of the P content in the A709 filler metal weld wire. In this report, we show the success in welding of high phosphorus (P) commercial A709 plates using A709 weld wires with relaxed P content of 80 wppm. A test weld was fabricated with the 80 wppm weld wire on the first commercial heat A709 base metal with 140 wppm P content using gas tungsten arc welding (GTAW). The test weld passed all weld qualification tests without issues. This study concludes that A709 matching filler metal with moderate amount of P of less than 80 wppm could be used to produce code qualified A709 welds with standard welding process without special treatment. It is recommended that the P level in the weld wire to be kept low to avoid hot cracking. Cross-weld specimens were machined from the two A709 production welds.. Cross welding creep rupture Code Case testing on these two production welds was initiated . The preliminary cross-weld creep tests results continue to show little or no creep strength reduction relative to the base metal.

36 MATERIALS SCIENCE↗

Non-Equilibrium Effects in Quantum Magnets

While most often the state of a material will tend toward an equilibrium determined by its environment, there are many cases of scientific and technological interest where materials are manipulated to be or are found in non-equilibrium configurations. For example, data can be stored in hard drives by deliberately altering the magnetic orientation in a material to store information in non-equilibrium pattern. In this project, the main goals were studies of non-equilibrium properties of quantum magnets using neutron scattering as the primary experimental method. Neutron scattering allows characterization of magnetic correlation lengths sensitive to the presence of defects. It can also be used to distinguish equilibrium from non-equilibrium states via energy transfer rates. Typical bulk state magnetization relaxation times are too short to perform many neutron scattering measurements of interest. To enable the study of non-equilibrium conditions, materials with longer magnetic relaxation times were targeted. CoNb 2 O 6 was used in two experiments related to non-equilibrium physics. In the first, evidence for defects created via the Kibble-Zurek mechanism (KZM) was sought by quenching across a magnetic field-dependent phase transition. Somewhat unexpectedly, clear evidence for KZM-induced defects was absent. Additional measurements of CoNb 2 O 6 were made to better characterize its crystal field and other properties to provide a better theoretical understanding to enable more effective non-equilibrium physics measurements. In another project, LiHo 0.45 Y 0.55 F 4 was used to compare a quantum annealing protocol to a thermal annealing one since magnetic fields can be used to control the thermal fluctuations in LiHo 0.45 Y 0.55 F 4 . In addition, a new pulsed magnet power supply and new techniques were developed suitable for neutron scattering experimental environments to enable faster magnetic field changes for producing non-equilibrium conditions. The power supply developed for this project has wider technological applications in addition to faster magnetic field ramps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Control of Energy Transport and Transduction in Photosynthetic Down-Conversion (Final Technical Report)

The research conducted under this contract focused on three areas related to control of energy transport and transduction in natural and synthetic light harvesting systems: (1) experimental and theoretical studies exploring the use of ultrafast laser pulse shaping to manipulate the initially excited states of multi-chromophore biological light harvesting networks and influence the early time energy transfer and electronic and vibrational relaxation pathways, (2) fundamental theoretical developments aimed at computing and analyzing the dynamics of excitations of complex heterogeneous environments and nano structures, and (3) joint experimental and theoretical design studies of artificial light harvesting materials exploring the influence of incorporating different types of organic layers in low dimensional lead halide perovskite materials on their hot carrier relaxation dynamics, and theoretical studies of the design of nano structured light harvesting antenna systems. These research projects supported the training of three theoretical and computational graduate students, one experimental graduate student, and one experimental post-doctoral researcher. The research has been published in seven peer reviewed papers and presented at several international meetings and workshops.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigation of Best-Practices and Computationally Inexpensive Radiative Exchange Models for Discrete Element Method Modeling of Aluminosilicate Particles in Concentrating Solar Power Environments

Chemically inert, aluminosilicate based particles have been investigated as both a thermal transport and sensible energy storage medium for concentrating solar power facilities. These particles will experience a wide range of operating temperatures (300-1000 K) and handling conditions (dense to dilute falling particle curtains, dense granular flows, or dense structures), requiring specially-designed and optimized infrastructures. The relative influence of collisional and frictional interactions between particles varies based on temperature-dependent particulate properties and greatly impacts the bulk, granular flow behavior. These underlying physics are captured using discrete element method modeling tools. However, this modeling method is computationally expensive as each particle position and interaction is tracked during the simulation. These modeling methods are further complicated by introducing temperature-dependent particle properties, high-temperature radiative exchange, and directional irradiation sources experienced by granular flows in concentrating solar power environments. In this study, coupled experimental and numerical slump testing of aluminosilicate particles was performed and computationally efficient radiative exchange models were evaluated to establish best-practices for discrete element method models for concentrating solar power environments. The three particle types investigated included Carbobead HSP 30 /60, Carbobead CP 30/60, and Granusil 4030. Existing modeling limitations and computationally-efficient multi-modal heat transfer models were evaluated using Aspherix®, a commercial discrete element method software. High-temperature (< 1073 K) slump testing of aluminosilicate particles was performed to investigate the deviation between experimentally-observed and numerically-predicted angles of repose introduced by computation-time reduction practices including the relaxation of the particle elastic modulus and coarse-graining. Coarse-graining is used to use a single modeled particle that is representative of a collection of smaller particles, decreasing the computational cost at the expense of geometric accuracy. Additionally, relaxation of the elastic modulus is used to reduce computational time at the expense of an increased, modeled particle overlap. Prior studies have determined that aluminosilicate particles retain a high elastic modulus at high temperatures (< 1073 K), requiring small simulation timesteps to ensure resolved contact forces resemble appropriate solid mechanics. A parametric study was performed to evaluate the influence of computation time improvements on the deviation between experimental and modeled angle of repose across high temperatures < 1073 K. Additionally, numerical case studies were performed on candidate particle systems at varying porosities and temperatures. These studies were performed to investigate the influence of computationally-efficient radiative-exchange modeling methods coupled to Aspherix® on modeled accuracy and computation time. The recently-developed distance-based approximation was evaluated in estimating radiative exchange between particles and participating surfaces located in close proximity. The distance based approximation was developed to use tabulated estimates of the radiative distribution factor between individual particles and surfaces in close proximity (< 40 particle radii). These methods were expanded to the aluminosilicate particles of interest, including the influence of particle size distributions. To capture radiative exchange between particles and surfaces not in close proximity (> 40 particle radii) and to capture the absorption of directional irradiation from concentrating solar resources, a volumetrically-averaged radiative distribution factor was calculated between the modeled granular flow and surfaces using Monte Carlo ray-tracing for participating media. Volume-averaged absorption and scattering coefficients were predicted using a volumetric discretization of the modeled domain with monodisperse approximations based on geometric optics and experimentally-determined scattering phase functions for aluminosilicate particles.

14 SOLAR ENERGY↗

Measuring Vibronic Coupling and Ultrafast Charge Delocalization on Nanocrystal Surfaces Using Ligand-Specific Vibrational Probes

The primary goal of this proposal was to measure and quantify how vibronic ligand-exciton interactions at the inorganic-organic interface of semiconductor nanocrystals (NCs) govern femtosecond non-radiative relaxation and charge delocalization mechanisms as a function of nanocrystal and ligand structures – including NC size, shape, and ligand identity. Molecular-scale chemical and physical properties and interactions of surface ligands dictate nanocrystal exciton dynamics on the femto-to-microsecond timescales. Improvements in synthesis, experimental, and theoretical characterizations have enhanced our understanding of NC photophysics. However, quantitative descriptions of complex ligand-exciton interactions at the NC surface have remained elusive, which limits elucidation of relaxation mechanisms that determine overall carrier transfer dynamics at the exciton-ligand interface. Thus, the central motivation for this proposal was to fill a significant knowledge gap for judicious selection of ligand-functionalized nanocrystals for targeted isolation and capture of charge carriers to drive selective organic photocatalytic transformations in NC photocatalysts and NC-assembled photonic materials. Our unique two-pronged experimental approach combining nanocrystal synthesis and ligand-specific nonlinear spectroscopy has resulted in (i) four peer-reviewed publications; (ii) 12+ invited and contributed posters and talks at national and international scientific meetings and seminars, (iii) two completed PhD theses, (iv) training of two postdoctoral researchers, three PhD students, and two undergraduate students, and (v) two manuscripts under preparation.

36 MATERIALS SCIENCE↗

Synthesis of nanodiamonds encapsulated by zeolitic imidazole framework-8 for quantum sensing applications

Nitrogen vacancy (NV)-containing nanodiamonds are widely used in quantum sensing applications due to their high sensitivity to magnetic fields, relatively low cost, and ability to be initialized, manipulated, and read out at room temperature. Quantum sensing techniques such as optically detected magnetic resonance (ODMR) and spin relaxometry have exploited the sensitivity of the NV nanodiamonds to magnetic fields to detect a range of analytes, such as pH, metal ions, and biomolecules. However, diversifying the sensing targets accessible by NV diamond quantum sensors typically requires careful engineering of the diamond surface chemistry with stimuli-responsive functional groups. Here, a simple protocol for coating NV nanodiamonds with the zeolitic imidazole framework 8 (ZIF-8), a widely used metal-organic framework, is presented. ZIF-8 is a highly porous material that has been used as a selective sensor for gasses, metal ions, and other analytes. The material is well-characterized by x-ray diffraction, transmission electron microscopy, scanning electron microscopy, x-ray photoelectron spectroscopy, and luminescence spectroscopy. Encapsulation of NV nanodiamonds with a porous scaffold such as ZIF-8 provides a promising method for improving the selectivity for the quantum sensing of various analytes. Importantly, the ZIF-8 coating does not impact the luminescence properties of the NV diamond, which is a key readout in ODMR and spin relaxometry sensing approaches. Indeed, the ODMR spectra with and without the ZIF-8 shell is nearly identical. Moreover, the ZIF-8 coating increases the longitudinal spin relaxation time of the NV nanodiamond by a factor of 4 relative to aggregated diamond, a desirable outcome for spin relaxation-based quantum sensing. Metal-organic framework composites with nanodiamonds thus are an exciting strategy for enhancing NV nanodiamond performance in applications such as quantum sensing and quantum-enhanced nuclear magnetic resonance spectroscopy.

nitrogen vacancy nanodiamond↗

LLRF System Analysis for the Fermilab PIP-II LINAC

Developing long-lived quantum processing units (QPUs) capable of supporting high-fidelity quantum operations is a crucial challenge on the path toward fault-tolerant quantum computing. TESLA-shaped superconducting RF (SRF) cavities, known for photon relaxation times on the order of seconds, provide an excellent foundation for 3D QPUs and quantum memory. This talk presents a novel design that leverages TESLA cavity modes coupled to ancillary transmon qubits, optimized to preserve coherence and control. By carefully engineering the package geometry, optimizing Hamiltonian parameters, and minimizing lossy participation ratios, we achieve photon relaxation times of over 16 ms and 20 ms for the two cavity modes, representing a significant improvement over previous multimode quantum memories. Despite the reduced coupling between the qubit and cavity modes, which is necessary to preserve long lifetimes, the platform supports robust and universal control schemes that are not limited by low coupling strength. We will also discuss how this architecture can lead to scalable, modular quantum computing systems.

Varghese, P. [Fermilab]↗

AI-Assisted Conceptual Development of a Pre-Geometric Cosmological Model - An Exercise in AI-Assisted Conceptual Framework Generation, Paper III: Cosmological Structure and Predictions

This paper develops the cosmological consequences of the replication-driven cosmogenesis framework introduced in Paper I and the emergent geometric structure established in Paper II. After the replication epoch freezes out, the coherent sector occupies a finite spectral band and contains a population of excited states. The relaxation of these excited coherent configurations does not produce coherent radiation; instead, all released energy flows into the incoherent substrate, where the randomizer acts as a rapid phase-scrambling mechanism. This process generates an effectively thermal radiation bath, providing a natural reheating mechanism that requires neither inflaton oscillations nor scalar-field potentials, and can be contrasted with standard scenarios of nonperturbative reheating dynamics. Subsequent symmetry-breaking transitions in the coherent vacuum inject additional radiation, yielding a multi-stage thermal history with well-defined energy transfers. We derive the effective equations of state for each component—the cosmological vacuum, the coherent vacuum, and the radiation bath—and show how their interplay produces an FRW-like expansion. The discrete sequence of coherent-state relaxations imprints a distinctive multi-peaked stochastic gravitational-wave background, whose spectral structure reflects the underlying hierarchy of coherent frequencies. Potential observational signatures in the LISA and mid-band frequency ranges are highlighted, providing concrete avenues to test this replication-based cosmological framework in the context of standard cosmological gravitational-wave backgrounds and LISA-oriented forecasts.

79 ASTRONOMY AND ASTROPHYSICS↗

Designing open quantum systems with known steady states: Davies generators and beyond

We provide a systematic framework for constructing generic models of nonequilibrium quantum dynamics with a target stationary (mixed) state. Our framework identifies (almost) all combinations of Hamiltonian and dissipative dynamics that relax to a steady state of interest, generalizing the Davies’ generator for dissipative relaxation at finite temperature to nonequilibrium dynamics targeting arbitrary stationary states. We focus on Gibbs states of stabilizer Hamiltonians, identifying local Lindbladians compatible therewith by constraining the rates of dissipative and unitary processes. Moreover, given terms in the Lindbladian not compatible with the target state, our formalism identifies the operations – including syndrome measurements and local feedback – one must apply to correct these errors. Our methods also reveal new models of quantum dynamics: for example, we provide a “measurement-induced phase transition” in which measurable two-point functions exhibit critical (power-law) scaling with distance at a critical ratio of the transverse field and rate of measurement and feedback. Time-reversal symmetry – defined naturally within our formalism – can be broken both in effectively classical and intrinsically quantum ways. Our framework provides a systematic starting point for exploring the landscape of dynamical universality classes in open quantum systems, as well as identifying new protocols for quantum error correction.

Guo, Jinkang [Department of Physics and Center for↗

Scalable and Memory-Efficient Algorithms for Controlling Networked Epidemic Processes Using Multiplicative Weights Update Method

We study the problem of designing scalable algorithms to find effective intervention strategies for controlling stochastic epidemic processes on networks. This is a common problem arising in agent based models for epidemic spread. Previous approaches to this problem focus on either heuristics with no guarantees or approximation algorithms that scale only to networks corresponding to county-sized populations, typically, with less than a million nodes. In particular, the mathematical-programming based approaches need to solve the Linear Program (LP) relaxation of the problem using an LP solver, which restricts the scalability of this approach. In this work, we overcome this restriction by designing an algorithm that adapts the multiplicative weights update (MWU) framework, along with the sample average approximation (SAA) technique, to approximately solve the linear program (LP) relaxation for the problem. To scale this approach further, we provide a memory-efficient algorithm that enables scaling to large networks, corresponding to country-size populations, with over 300 million nodes and 30 billion edges. Furthermore, we show that this approach provides near-optimal solutions to the LP in practice.

Sambaturu, Prathyush↗

UPC++ as_eager Working Group Draft, Revision 2020.6.2

This draft proposes an extension for a new future-based completion variant that can be more effectively streamlined for RMA and atomic access operations that happen to be satisfied at runtime using purely node-local resources. Many such operations are most efficiently performed synchronously using load/store instructions on shared-memory mappings, where the actual access may only require a few CPU instructions. In such cases we believe it’s critical to minimize the overheads imposed by the UPC++ runtime and completion queues, in order to enable efficient operation on hierarchical node hardware using shared-memory bypass. The new upcxx::{source,operation}_cx::as_eager_future() completion variant accomplishes this goal by relaxing the current restriction that future-returning access operations must return a non-ready future whose completion is deferred until a subsequent explicit invocation of user-level progress. This relaxation allows access operations that are completed synchronously to instead return a ready future, thereby avoiding most or all of the runtime costs associated with deferment of future completion and subsequent mandatory entry into the progress engine. We additionally propose to make this new as_eager_future() completion variant the new default completion for communication operations that currently default to returning a future. This should encourage use of the streamlined variant, and may provide performance improvements to some codes without source changes. A mechanism is proposed to restore the legacy behavior on-demand for codes that might happen to rely on deferred completion for correctness. Finally, we propose a new as_eager_promise() completion variant that extends analogous improvements to promise-based completion, and corresponding changes to the default behavior of as_promise().

97 MATHEMATICS AND COMPUTING↗

Examination of Gamma-irradiated Calcium Silicate Hydrates. Part II: Mechanical Properties

Mechanical properties of calcium silicate hydrates (C-S-H) with C/S ratios of 0.75, 1, and 1.33 were examined with nanoindentation after gamma-adsorbed doses of 0.145, 0.280, 0.500, and 0.784 MGy, and were compared with control samples. Young' s modulus and stress relaxation tests showed no apparent trend with irradiation dose. Qualitatively, most of the irradiated samples were found to relax more than their respective controls, but not always in a statistically significant manner. Most of the Young' s modulus irradiated–control pairs showed marginally higher stiffness in the irradiated samples, but overall trends with irradiation dose were not obvious. Creep compliance was obtained for the samples irradiated at the highest dose and their respective controls. Two of the three irradiated samples exhibited less creep than their respective controls, but only one of which was statistically significant. The lack of clear changes in mechanical properties for these samples correlates with separate chemical analyses that showed no loss of interlayer water by exposure to irradiation or changes in the mean silicate chain length. Further research evaluating higher doses (25 and 200 MGy) representative of those received by concrete structures in nuclear power plants at prolonged operation is being carried out to complement the present study.

36 MATERIALS SCIENCE↗

Fragmentation Dynamics of Fluorene Explored Using Ultrafast XUV-Vis Pump-Probe Spectroscopy

We report on the use of extreme ultraviolet (XUV, 30.3 nm) radiation from the Free-electron LASer in Hamburg (FLASH) and visible (Vis, 405 nm) photons from an optical laser to investigate the relaxation and fragmentation dynamics of fluorene ions. The ultrashort laser pulses allow to resolve the molecular processes occurring on the femtosecond timescales. Fluorene is a prototypical small polycyclic aromatic hydrocarbon (PAH). Through their infrared emission signature, PAHs have been shown to be ubiquitous in the universe, and they are assumed to play an important role in the chemistry of the interstellar medium. Our experiments track the ionization and dissociative ionization products of fluorene through time-of-flight mass spectrometry and velocity-map imaging. Multiple processes involved in the formation of each of the fragment ions are disentangled through analysis of the ion images. The relaxation lifetimes of the excited fluorene monocation and dication obtained through the fragment formation channels are reported to be in the range of a few tens of femtoseconds to a few picoseconds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The rapid change in mental health among college students after introduction of on-campus quarantine during the 2022 Shanghai COVID-19 lockdown

Objectives Among the various impacts of disasters in terms of emotions, quarantine has been proven to result in significant increases in mental health problems. Studies of psychological resilience during outbreaks of epidemics tend to focus on long-term social quarantine. In contrast, insufficient studies have been conducted examining how rapidly negative mental health outcomes occur and how these outcomes change over time. We evaluated the time course of psychological resilience (over three different phases of quarantine) among students at Shanghai Jiao Tong University to investigate the influence of unexpected changes on college students. Methods An online survey was conducted from 5 to 7 April 2022. A structured online questionnaire was administered using a retrospective cohort trial design. Before 9 March (Period 1), individuals engaged in their usual activities without restrictions. From 9 to 23 March (Period 2), the majority of students were asked to remain in their dormitories on campus. From 24 March to early April (Period 3), restrictions were relaxed, and students were gradually allowed to participate in essential activities on campus. We quantified dynamic changes in the severity of students’ depressive symptoms over the course of these three periods. The survey consisted of five sets of self-reported questions: demographic information, lifestyle/activity restrictions, a brief mental health history, COVID-19-related background, and the Beck Depression Inventory, second edition. Results A total of 274 college students aged 18–42 years (mean = 22.34; SE = 0.24) participated in the study (58.39% undergraduate students, 41.61% graduate students; 40.51% male, 59.49% female). The proportion of students with depressive symptoms was 9.1% in Period 1, 36.1% in Period 2, and 34.67% in Period 3. Depressive symptoms increased notably with the introduction of the quarantine in Periods 2 and 3. Lower satisfaction with the food supplied and a longer duration of physical exercise per day were found to be positively associated with changes in depression severity in Periods 2 and 3. Quarantine-related psychological distress was more evident in students who were in a romantic relationship than in students who were single. Conclusion Depressive symptoms in university students rapidly increased after 2 weeks of quarantine and no perceptible reversal was observed over time. Concerning students in a relationship, ways to take physical exercise and to relax should be provided and the food supplied should be improved when young people are quarantined.

Ma, Dongni↗

MgADP Promotes Myosin Head Movement toward Actin at Low [Ca 2+ ] to Increase Force Production and Ca 2+ -Sensitivity of Contraction in Permeabilized Porcine Myocardial Strips

Myosin cross-bridges dissociate from actin following Mg 2+ -adenosine triphosphate (MgATP) binding. Myosin hydrolyses MgATP into inorganic phosphate (P i ) and Mg 2+ -adenosine diphosphate (ADP), and release of these hydrolysis products drives chemo-mechanical energy transitions within the cross-bridge cycle to power muscle contraction. Some forms of heart disease are associated with metabolic or enzymatic dysregulation of the MgATP-MgADP nucleotide pool, resulting in elevated cytosolic [MgADP] and impaired muscle relaxation. We investigated the mechanical and structural effects of increasing [MgADP] in permeabilized myocardial strips from porcine left ventricle samples. Sarcomere length was set to 2.0 µm at 28 °C, and all solutions contained 3% dextran T-500 to compress myofilament lattice spacing to near-physiological values. Under relaxing low [Ca 2+ ] conditions (pCa 8.0, where pCa = -log 10 [Ca 2+ ]), tension increased as [MgADP] increased from 0-5 mM. Complementary small-angle X-ray diffraction measurements show that the equatorial intensity ratio, I 1,1 /I 1,0 , also increased as [MgADP] increased from 0 to 5 mM, indicating myosin head movement away from the thick-filament backbone towards the thin-filament. Ca 2+ -activated force-pCa measurements show that Ca 2+ -sensitivity of contraction increased with 5 mM MgADP, compared to 0 mM MgADP. These data show that MgADP augments tension at low [Ca 2+ ] and Ca 2+ -sensitivity of contraction, suggesting that MgADP destabilizes the quasi-helically ordered myosin OFF state, thereby shifting the cross-bridge population towards the disordered myosin ON state. Together, these results indicate that MgADP enhances the probability of cross-bridge binding to actin due to enhancement of both thick and thin filament-based activation mechanisms.

60 APPLIED LIFE SCIENCES↗

The Effect of the Flux Separability Approximation on Multigroup Neutron Transport

The angular dependence of flux-weighted multigroup cross sections is commonly neglected when generating multigroup libraries. The error of this flux separability approximation is typically not isolated from other error sources due to a lack of availability of library generation and corresponding solvers that cannot relax this approximation. These errors can now be isolated and quantified with the availability of a multigroup Monte Carlo transport and multigroup library-generation capability in the OpenMC Monte Carlo transport code. This work will discuss relevant details of the OpenMC implementation, provide an example case useful for detailing the type of errors one can expect from making the flux separability approximation, and end with more realistic problems which show the impact of the approximation and highlight how it can strongly arise from an energy-dependent resonance absorption effect. Since the angle-dependence is intrinsically linked to the energy group structure, these examples also show that relaxing the flux separability approximation with angle-dependent cross sections could be used to reduce either the fine-tuning required to set a multigroup energy structure for a specific reactor type or the number of energy groups required to obtain a desired level of accuracy for a given problem. This trade-off could increase the costs of generating multigroup cross sections, and has the potential to require more memory for storing the multigroup library during the transport calculations, but it can significantly reduce the computational time required since the runtime of a discrete ordinates or method of characteristics neutron transport solver scales roughly linearly with the number of groups.

42 ENGINEERING↗

Probing Non-Equilibrium Pair-Breaking and Quasiparticle Dynamics in Nb Superconducting Resonators Under Magnetic Fields

We conducted a comprehensive study of the non-equilibrium dynamics of Cooper pair breaking, quasiparticle (QP) generation, and relaxation in niobium (Nb) cut from superconducting radio-frequency (SRF) cavities, as well as various Nb resonator films from transmon qubits. Using ultrafast pump–probe spectroscopy, we were able to isolate the superconducting coherence and pair-breaking responses. Our results reveal both similarities and notable differences in the temperature- and magnetic-field-dependent dynamics of the SRF cavity and thin-film resonator samples. Moreover, femtosecond-resolved QP generation and relaxation under an applied magnetic field reveals a clear correlation between non-equilibrium QPs and the quality factor of resonators fabricated by using different deposition methods, such as DC sputtering and high-power impulse magnetron sputtering. These findings highlight the pivotal influence of fabrication techniques on the coherence and performance of Nb-based quantum devices, which are vital for applications in superconducting qubits and high-energy superconducting radio-frequency applications.

43 PARTICLE ACCELERATORS↗