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Building on results in arXiv:2203.04255, we compute the correlator of four gluon light-ray operators in celestial CFT. We find that it is described by Fox H-functions and generalized I-functions of multiple variables. We also analyze light-ray correlators for a scalar amplitude involving the exchange of a massive scalar.
Amelogenin is an intrinsically disordered protein essential to tooth enamel formation in mammals. Here, using advanced small angle X-ray scattering (SAXS) capabilities at synchrotrons and computational models, we revisited measuring the quaternary structure of murine amelogenin as a function of pH and phosphorylation at serine-16. The SAXS data shows that at the pH extremes, amelogenin exists as an extended monomer at pH 3.0 (R g = 38.4 Å) and nanospheres at pH 8.0 (R g = 84.0 Å), consistent with multiple previous observations. At pH 5.0 and above there was no evidence for a significant population of monomeric species. Instead, at pH 5.0 ~ 80% of the population is a heterogenous dimeric species that increases to ~ 100% at pH 5.5. The dimer population was observed at all pH > 5 conditions in dynamic equilibrium with a species in the pentamer range at pH < 6.5 and nanospheres at pH 8.0. At pH 8.0 ~ 40% of the amelogenin still remained in the dimeric state. In general, serine-16 phosphorylation of amelogenin appears to modestly stabilize the population of the dimeric species.
In this paper, the nonlinear interaction between kinetic instabilities driven by multiple ion beams and magnetized electrons is investigated. Electron diffusion across magnetic field lines is enhanced by the coupling of plasma instabilities. Here, a two-dimensional collisionless particle-in-cell simulation is performed accounting for singly and doubly charged ions in a cross-field configuration. Consistent with prior linear kinetic theory analysis and observations from coherent Thomson scattering experiments, the present simulations identify an ion-ion two-stream instability due to multiply charged ions (flowing in the direction parallel to the applied electric field) which coexists with the electron cyclotron drift instability (propagating perpendicular to the applied electric field and parallel to the ExB drift). Small-scale fluctuations due to the coupling of these naturally driven kinetic modes are found to be a mechanism that can enhance cross-field electron transport and contribute to the broadening of the ion velocity distribution functions.
This presentation discusses how KRUSTY was analyzed with LANL’s MCNP neutron transport code, Monte Carlo N-Particle. In the Monte Carlo method, neutrons are born in fission events and fly around the geometry having events (e.g., scatter, capture, fission, escape) according to the natural probabilities. “Natural probabilities” are given as neutron cross sections , which are measured and evaluated nuclear data. One of the goals of the benchmark project is to improve the nuclear cross sections (and the codes that use them). In this work, the response of interest is called k eff , which describes the neutron multiplication in a near critical system. Like most quantities, k eff is not measured directly; it is only inferred. In summation, MCNP results for k eff matched the measurements extremely well. The evaluated uncertainties are asymmetric and smaller than 0.00100 (e.g., + 0.00080 / – 0.00062). The largest uncertainties are due to alignment.
This presentation discusses how KRUSTY was analyzed with LANL’s MCNP neutron transport code, Monte Carlo N-Particle. In the Monte Carlo method, neutrons are born in fission events and fly around the geometry having events (e.g., scatter, capture, fission, escape) according to the natural probabilities. “Natural probabilities” are given as neutron cross sections , which are measured and evaluated nuclear data. One of the goals of the benchmark project is to improve the nuclear cross sections (and the codes that use them). In this work, the response of interest is called k eff , which describes the neutron multiplication in a near critical system. Like most quantities, k eff is not measured directly; it is only inferred. In summation, MCNP results for k eff matched the measurements extremely well. The evaluated uncertainties are asymmetric and smaller than 0.00100 (e.g., + 0.00080 / – 0.00062). The largest uncertainties are due to alignment.
We report a drastic difference in stacking behavior of oleic acid-stabilized 4-monolayer (4 ML) CdSe nanoplatelets (NPLs) in toluene and methylcyclohexane (MCH), two nonpolar solvents that differ in the conformational flexibility of their molecules. Using liquid cell transmission electron microscopy (TEM) and small angle scattering (SAXS) techniques, we show that NPLs form microns-long ribbons consisting of 4 ML CdSe NPLs in toluene, the solvent widely used to form stable colloidal solutions of a broad range of quasi-spherical nanoparticles. In contrast, 4 ML CdSe NPLs are well dispersed in MCH. The difference in stacking behavior of NPLs in toluene and MCH suggests that the conformational flexibility of the solvent molecules, such as the ability to adopt multiple chair conformations, modulates nanoplatelet interactions. Molecular dynamics (MD) simulations reveal that solvent molecules subtly alter the structure of the organic ligand shell. These solvent-dependent changes propagate to the inorganic core, modulating the degree of CdSe nanoplatelet (NPL) twisting and, consequently, the properties of the nanoparticles. We show that toluene better solvates oleate ligands while MCH induces a bimodal oleate span distribution, which can lead to increased solubility of CdSe NPLs. In addition, the solvent can also influence the inorganic core, which, in turn, can modify the nanoparticle properties. We demonstrate that destabilization of toluene solution containing ribbons of 4 ML CdSe NPLs without CdS shells results in the formation of NPL assemblies with amplified spontaneous emission (ASE) with a low threshold of 14 µJ cm−2 that is comparable with that of CdSe/CdS core/shell NPLs. Our results emphasize that the solvent plays a major role in mediating interactions between NPLs and hence their processability for fabrication of functional structures.
Atomic structure prediction and associated property calculations are the bedrock of chemical physics. Since high-fidelity ab initio modeling techniques for computing the structure and properties can be prohibitively expensive, this motivates the development of machine-learning (ML) models that make these predictions more efficiently. Training graph neural networks over large atomistic databases introduces unique computational challenges such as the need to process millions of small graphs with variable size and support communication patterns that are distinct from learning over large graphs such as social networks. We demonstrate a novel hardware-software co-design approach to scale up the training of atomistic graph neural networks (GNN) for structure and property prediction. First, to eliminate redundant computation and memory associated with alternative padding techniques and to improve throughput via minimizing communication, we formulate the effective coalescing of the batches of variable-size atomistic graphs as the bin packing problem and introduce a hardware-agnostic algorithm to pack these batches. In addition, we propose hardware-specific optimizations including a planner and vectorization for the gather-scatter operations targeted for Graphcore’s Intelligence Processing Unit (IPU), as well as model-specific optimizations such as merged communication collectives and optimized softplus. Putting these all together, we demonstrate the effectiveness of the proposed co-design approach by providing an implementation of a well-established atomistic GNN on the Graphcore IPUs. We evaluate the training performance on multiple atomistic graph databases with varying degrees of graph counts, sizes and sparsity. Here, we demonstrate that such a co-design approach can reduce the training time of atomistic GNNs and can improve the performance by up to 1.5× compared to the baseline implementation of the model on the IPUs. Additionally, we compare our IPU implementation with a Nvidia GPU-based implementation and show that our atomistic GNN implementation on the IPUs can run 1.8× faster on average compared to the execution time on the GPUs.
Nuclear diagnostics provide measurements of inertial confinement fusion implosions used as metrics of performance for the shot. The interpretation of these measurements for shots with low mode asymmetries requires a way of combining the data to produce a “sky map” where the individual line-of-sight values are used to interpolate to other positions in the sky. These interpolations can provide information regarding the orientation of the low mode asymmetries. We describe the interpolation method, associated uncertainties, and correlations between different metrics, e.g., Tion, down scatter ratio, and hot-spot velocity direction. This work is also related to recently reported studies [H. G. Rinderknecht et al., Phys. Rev. Lett. 124, 145002 (2020) and K. M. Woo et al., Phys. Plasmas 27, 062702 (2020)] of low mode asymmetries. We report an analysis that makes use of a newly commissioned line of sight, a scheme for incorporating multiple neutron spectrum measurement types, and recent work on the sources of implosion asymmetry to provide a more complete picture of implosion performance.
Assessing the atomic and electronic structure of strongly correlated systems in which the crystal symmetry changes due to emergent lattice distortions, such as charge density waves (CDWs), is nontrivial because the distortions are not necessarily amenable to a traditional crystallographic description. Using advance scattering and modeling techniques, we reveal the evolution of the atomic displacement modes behind the CDW phases of quasi-one-dimensional NbTe 4 and also derive the so far unknown atomic structure of its low-temperature commensurate (C) CDW phase. Electronic structure calculations based on the experimental C-CDW structure data predict the existence of Dirac fermions whose multiplicity turns out to depend on the degree of lattice distortions accounted for in the experimental structure derivation. Finally, we argue that the electronic structure of CDW systems in general, and in particular in transition metal tetra-tellurides, can be strongly impacted by local lattice distortions and, therefore, they should be fully accounted for when their rich physics is considered.
The average prompt-fission-neutron multiplicity ν ¯ is of significance in the areas of nuclear theory, nuclear nonproliferation, and nuclear energy. In this work, the surrogate-reaction method has been used for the first time to indirectly determine ν ¯ for Pu 239 ( n , f ) via Pu 240 ( α , α ' f ) reactions. A Pu 240 target was bombarded with a beam of 53.9-MeV α particles. Scattered α particles, fission products, and neutrons were measured with the NeutronSTARS detector array. Values of ν ¯ were obtained for a continuous range of equivalent incident neutron energies between 0.25 and 26.25 MeV, and the results agree well with direct neutron measurements.
Particle transport in binary stochastic mixtures is classically modeled assuming Markovian or exponential mixing statistics but in many applications material memory invalidates the Markov assumption. For non-Markovian mixing characterized by alternating renewal processes, a transport-theoretic framework is presented that provides an exact description of transport in nonscattering random binary media with general non-exponential statistics. Our approach is to Markovianize the problem by augmenting the {material type, particle flux} state space with the age or distance from the last interface. A Chapman-Kolmogorov equation is formulated for the joint probability density of the material type, particle flux, and age, and subsequently reduced to a generalized Master equation (GME) in differential form. This constitutes the primary result of this work. A state-updating Monte Carlo algorithm consistent with the GME is developed and benchmarked against analytical solutions for multiple chord-length laws. For purely absorbing renewal statistical media, the GME reproduces analytical benchmarks for the equilibrium age distribution, interior mean/variance of material-conditioned fluxes, and boundary transmittance. Simulations further demonstrate that a Markov (exponential) approximation of non-exponential statistics can introduce large errors in transmittance and interior flux profiles. Lastly, the reintroduction of memory due to scattering is briefly addressed through heuristic considerations.
DOME is a planned microreactor test facility at INL’s Materials and Fuels Complex. It is a complex system with several interdependent sub-systems such as the reactor (up to 20 MWth), radioactive confinement, temperature and pressure regulation system, ventilation system, etc. The engineering design process for such a system traditionally involves several documents from various sources and the system information is scattered across these documents. Digital engineering represents a paradigm shift through which systems are designed using digital models and integrated data. The digital engineering vision for DOME utilizes a model-based systems engineering (MBSE) approach. The system architecture, physical components, control logic, and verification experiments are all designed using MathWorks MATLAB and Simulink. This hierarchical model can combine data from multiple sources at various levels of abstraction. It can be used to simulate the facility’s operations and to test the system using different sets of parameters. Its capabilities can be expanded by interfacing it with high-fidelity multi-physics models, risk analysis tools, etc. The same model can evolve into a digital twin that can monitor operations and conduct predictive analysis using real-time sensor data from the facility. The eventual goal of this effort is to transform the end-to-end engineering of nuclear facilities in every phase of their lifecycle, including design, deployment, and operations.
DOME is a planned microreactor test facility at INL’s Materials and Fuels Complex. It is a complex system with several interdependent sub-systems such as the reactor (up to 20 MWth), radioactive confinement, temperature and pressure regulation system, ventilation system, etc. The engineering design process for such a system traditionally involves several documents from various sources and the system information is scattered across these documents. Digital engineering represents a paradigm shift through which systems are designed using digital models and integrated data. The digital engineering vision for DOME utilizes a model-based systems engineering (MBSE) approach. The system architecture, physical components, control logic, and verification experiments are all designed using MathWorks MATLAB and Simulink. This hierarchical model can combine data from multiple sources at various levels of abstraction. It can be used to simulate the facility’s operations and to test the system using different sets of parameters. Its capabilities can be expanded by interfacing it with high-fidelity multi-physics models, risk analysis tools, etc. The same model can evolve into a digital twin that can monitor operations and conduct predictive analysis using real-time sensor data from the facility. The eventual goal of this effort is to transform the end-to-end engineering of nuclear facilities in every phase of their lifecycle, including design, deployment, and operations.
The DBS radio propagation environment is divided into three sub-environments, indoor, rural-suburban mobile and urban mobile. Indoor propagation effects are in a large part determined by construction material. Non-metallic materials afford direct, albeit attenuated penetration of the satellite signal with a minimum of multipath signal scattering. Signal penetration into structures using significant metallic materials is often indirect, through openings such as doors and windows and propagation will involve significant multipath components. Even so, delay spread in many situations is on the order of 10's of nanoseconds resulting in relatively flat fading. Thus frequency diversity techniques such as Orthogonal Frequency Division Multiplex (OFDM) and Code Division Multiple Access (CDMA) or equalization techniques do not realize their intended performance enhancement. Antenna diversity, directivity and placement are key mitigation techniques for the indoor environment. In the Rural-Suburban mobile environment with elevation angles greater than 20 deg, multipath components from the satellite signal are 15-20 dB below the line-of-sight signal level and often originate from nearby reflectors. Thus shadowing is the dominant signal impairment and fading effects are again found to be relatively flat for a large fading margin. Because receiver motion induces rapid variations in the signal level, temporal diversity techniques such as interleaving, channel coding and retransmission can be used to combat short intermittent fading events. Antenna diversity and directivity techniques are again useful in this environment. Finally, in the Urban mobile environment, slower vehicle speeds and blockage by buildings causes signal fades that are too long and too deep to combat with signal margin or time diversity. Land-based signal boosters are needed to fill in the coverage gaps of the satellite only broadcast scheme. On frequency boosters are suggested to conserve bandwidth yet these produce long delay multipath and create a frequency selective fading environment. Enter now OFDM, spread spectrum, equalization and other techniques that are capable of deconvolving the channel effects and effecting significant performance improvements by extracting the frequency diversity or time diversity components comprising the received signal.
The optical design of a Hettrick–Underwood-style soft X-ray spectrometer with Wolter type 1 mirrors is presented. The spectrometer with a nominal length of 3.1 m can achieve a high resolving power (resolving power higher than 10000) in the soft X-ray regime when a small source beam (<3 µm in the grating dispersion direction) and small pixel detector (5 µm effective pixel size) are used. Adding Wolter mirrors to the spectrometer before its dispersive elements can realize the spatial imaging capability, which finds applications in the spectroscopic studies of spatially dependent electronic structures in tandem catalysts, heterostructures, etc . In the pump–probe experiments where the pump beam perturbs the materials followed by the time-delayed probe beam to reveal the transient evolution of electronic structures, the imaging capability of the Wolter mirrors can offer the pixel-equivalent femtosecond time delay between the pump and probe beams when their wavefronts are not collinear. In combination with some special sample handing systems, such as liquid jets and droplets, the imaging capability can also be used to study the time-dependent electronic structure of chemical transformation spanning multiple time domains from microseconds to nanoseconds. The proposed Wolter mirrors can also be adopted to the existing soft X-ray spectrometers that use the Hettrick–Underwood optical scheme, expanding their capabilities in materials research.
This report was written as a guide to working with infrasound data collected as part of the Multi-Informatics for Nuclear Operations Scenarios (MINOS)project, an NA-22 funded venture. The main purpose of overall MINOS project is the combination of multiple, disparate data modalities to characterize the operations at a nuclear facility, specifically instrumenting and studying the High-Flux Isotope Reactor (HFIR) and Radiochemical Engineering Development Center (REDC) locate at Oak Ridge National Laboratory in Oak Ridge, TN. HFIR is an 85 MW research reactor and is used primarily for production of medical radioisotopes, material irradiation experiments, neutron activation, and neutron scattering. Targets for the reactor are constructed, processed, and dissolved at REDC. REDC also hosts other glove-box and hot-cell type activities.
Observations covering multiple orbital periods of the X-ray source Sco X-1 were carried out in 1975 and 1976 with the graphite crystal spectrometer aboard OSO 8. Time-averaged continuum spectra are featureless and are reasonably well described in terms of a Comptonized thermal bremsstrahlung spectrum in which kT is about 1.5-2 keV and in which the number of electron scatterings that each photon is assumed to have undergone is of the order of 100. Line limits, typically with equivalent widths of a few electron volts, are established for important emission lines of Si XIII, Si XIV, S XV, S XVI, and Fe XXV as a function of binary phase.
We derive the gluon transverse-momentum-dependent (TMD) operator structure of back-to-back\\\\r\\\\nquark–antiquark dijet production in deep inelastic scattering at arbitrary Bjorken-x to twist-3 ac\\\\r\\\\ncuracy. Working at leading order in the strong coupling and in the kinematic regime where the\\\\r\\\\ntransverse momentum imbalance of the jets is much smaller than their individual transverse mo\\\\r\\\\nmenta, we perform a systematic gradient expansion of the quark propagator in a background gluon\\\\r\\\\nfield. This expansion organizes multiple interactions with the target in terms of longitudinal Wilson\\\\r\\\\nlines and gauge-invariant field-strength insertions, yielding a TMD description valid beyond the\\\\r\\\\nstrict high-energy eikonal (x → 0) approximation. We obtain explicit cross sections for longitudi\\\\r\\\\nnally and transversely polarized virtual photons, identifying all contributing gluon TMD operators\\\\r\\\\nup to twist-3, including structures involving F+−, Fij, and three-gluon correlators. The full lon\\\\r\\\\ngitudinal phase eixP+z− associated with Bjorken-x is retained throughout. In the small-x limit,\\\\r\\\\nour results reproduce the known sub-eikonal expressions obtained in the Color Glass Condensate\\\\r\\\\nframework, establishing a direct connection between the general-x TMD expansion and high-energy\\\\r\\\\nfactorization. We further reduce the operator basis using equations of motion, minimizing the num\\\\r\\\\nber of independent nonperturbative matrix elements entering the cross section. This work provides\\\\r\\\\na systematic foundation for extending TMD analyses of dijet production beyond leading twist, es\\\\r\\\\ntablishing a unified operator framework valid at arbitrary Bjorken-x that smoothly interpolates\\\\r\\\\nbetween moderate- and small-x descriptions of gluon TMDs.