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At least 271 records · Page 15

Phase space effects on fast ion distribution function modeling in tokamaks

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Observation of kinetic mix enhancement in thin-shell OMEGA implosions

Recent separated reactant experiments for thin-shell (6 µ⁢m) shock-driven implosions on OMEGA have demonstrated significant mix from a buried deuterated layer of the shell into the hot spot. Time resolved D 3 He-p reaction history data demonstrate a (50 ± 20)⁢ ps shift earlier in peak nuclear emission for separated reactant experiments relative to control, in contrast to past experimental data for thicker, 20 µ⁢m shells with no laser burn through that show a 75 ps delay due to the time required for hydrodynamic instabilities to develop. This contrast suggests that the mix mechanism was not hydrodynamic. Ion kinetic simulations utilizing fall line analyses show much closer agreement with mix yield and temperature than diffusion models, predicting a D 3 He-p mix yield of 1.7 × 10 9 as compared to the experimental value of 9.3⁢ (±2.1) × 10 8 . This is three orders of magnitude closer than the fall line analysis from a hydrodynamic simulation with an inline diffusive mix model, which suggests minimal mix and D 3 He-p yields of 5×10 5 . This makes kinetic mechanisms the only feasible explanation for the mix seen, demonstrating impact of a non-standard mix mechanism. An analytical model of this kinetic mix mechanism suggests that it can remain significant in situations when the shell expands significantly to low densities, and diffusive models predict negligible mix. Finally, kinetic mix will impact multiple types of high energy density, laser-driven fusion experiments including high-adiabat direct drive cryoexperiments, nuclear cross section experiments, and thin-shell polar direct drive experiments used to tune heat conduction models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An Ensemble Score Filter for Tracking High-Dimensional Nonlinear Dynamical Systems

We propose an ensemble score filter (EnSF) for solving high-dimensional nonlinear filtering problems with superior accuracy. A major drawback of existing filtering methods, e.g., particle filters or ensemble Kalman filters, is the low accuracy in handling high-dimensional and highly nonlinear problems. EnSF attacks this challenge by exploiting the score-based diffusion model, defined in a pseudo-temporal domain, to characterizing the evolution of the filtering density. EnSF stores the information of the recursively updated filtering density function in the score function, in stead of storing the information in a set of finite Monte Carlo samples (used in particle filters and ensemble Kalman filters). Unlike existing diffusion models that train neural networks to approximate the score function, we develop a training-free score estimation that uses mini-batch-based Monte Carlo estimator to directly approximate the score function at any pseudo-spatial-temporal location, which provides sufficient accuracy in solving high-dimensional nonlinear problems as well as saves tremendous amount of time spent on training neural networks. Another essential aspect of EnSF is its analytical update step, gradually incorporating data information into the score function, which is crucial in mitigating the degeneracy issue faced when dealing with very high-dimensional nonlinear filtering problems. High-dimensional Lorenz systems are used to demonstrate the performance of our method. EnSF provides surprisingly impressive performance in reliably tracking extremely high-dimensional Lorenz systems (up to 1,000,000 dimension) with highly nonlinear observation processes, which is a well-known challenging problem for existing filtering methods.

97 MATHEMATICS AND COMPUTING↗

Water transport in reverse osmosis membranes is governed by pore flow, not a solution-diffusion mechanism

We performed nonequilibrium molecular dynamics (NEMD) simulations and solvent permeation experiments to unravel the mechanism of water transport in reverse osmosis (RO) membranes. The NEMD simulations reveal that water transport is driven by a pressure gradient within the membranes, not by a water concentration gradient, in marked contrast to the classic solution-diffusion model. We further show that water molecules travel as clusters through a network of pores that are transiently connected. Permeation experiments with water and organic solvents using polyamide and cellulose triacetate RO membranes showed that solvent permeance depends on the membrane pore size, kinetic diameter of solvent molecules, and solvent viscosity. This observation is not consistent with the solution-diffusion model, where permeance depends on the solvent solubility. Motivated by these observations, we demonstrate that the solution-friction model, in which transport is driven by a pressure gradient, can describe water and solvent transport in RO membranes.

42 ENGINEERING↗

Spatial profiles of photon chemical potential in near-field thermophotovoltaic cells

Emitted photons stemming from the radiative recombination of electron–hole pairs carry chemical potential in radiative energy converters. This luminescent effect can substantially alter the local net photogeneration in near-field thermophotovoltaic cells. Several assumptions involving the luminescent effect are commonly made in modeling photovoltaic devices; in particular, the photon chemical potential is assumed to be zero or a constant prescribed by the bias voltage. The significance of photon chemical potential depends upon the emitter temperature, the semiconductor properties, and the injection level. Hence, these assumptions are questionable in near-field thermophotovoltaic devices with nanoscale separation distances between the emitter and the cell. In the present work, an iterative solver that combines fluctuational electrodynamics with the drift-diffusion model is developed to tackle the coupled photon and charge transport problem, enabling the determination of the spatial profile of photon chemical potential beyond the detailed balance approach. Here, the difference between the results obtained by allowing the photon chemical potential to vary spatially and by assuming a constant value demonstrates the limitations of the conventional approaches. This study is critically important for performance evaluation of near-field thermophotovoltaic systems with nanoscale vacuum gaps.

30 DIRECT ENERGY CONVERSION↗

SOLAR INTERACTING PROTONS VERSUS INTERPLANETARY PROTONS IN THE CORE PLUS HALO MODEL OF DIFFUSIVE SHOCK ACCELERATION AND STOCHASTIC RE-ACCELERATION

With the first observations of solar γ-rays from the decay of pions, the relationship of protons producing ground level enhancements (GLEs) on the Earth to those of similar energies producing the γ-rays on the Sun has been debated. These two populations may be either independent and simply coincident in large flares, or they may be, in fact, the same population stemming from a single accelerating agent and jointly distributed at the Sun and also in space. Assuming the latter, we model a scenario in which particles are accelerated near the Sun in a shock wave with a fraction transported back to the solar surface to radiate, while the remainder is detected at Earth in the form of a GLE. Interplanetary ions versus ions interacting at the Sun are studied for a spherical shock wave propagating in a radial magnetic field through a highly turbulent radial ray (the acceleration core) and surrounding weakly turbulent sector in which the accelerated particles can propagate toward or away from the Sun. The model presented here accounts for both the first-order Fermi acceleration at the shock front and the second-order, stochastic re-acceleration by the turbulence enhanced behind the shock. We find that the re-acceleration is important in generating the γ-radiation and we also find that up to 10% of the particle population can find its way to the Sun as compared to particles escaping to the interplanetary space.

79 ASTRONOMY AND ASTROPHYSICS↗

Spatiotemporal Route to Understanding Metal Halide Perovskitoid Crystallization

Here, a spatiotemporal experimental route is reported for the antisolvent vapor diffusion crystal growth of metal halide perovskitoids. A computational analysis combining automated image capture and diffusion modeling enables the determination of the critical concentrations required for nucleation and crystal growth from a single experiment. Five different solvent systems and ten distinct organic ammonium iodide salts were investigated with lead iodide, from which nine previously unreported compounds were discovered. Automated image capture of the mother liquor and antisolvent vials was used to determine changes in solution meniscus positions and detect the nucleation event location. Matching the observations to a numerical solution of Fick's second law diffusion model enables the calculation of reactant, solvent, and antisolvent concentrations at both the time and position of the first stable nucleation and crystal growth. A machine learning model was trained on the resulting data, and it reveals solvent- and amine-specific crystallization tendencies. Solvent systems that interact more weakly with dissolved lead species promote crystallization, while those with stronger interactions can prevent crystallization through increased solubilities. Organic amines that interact more strongly with inorganic components and exhibit greater rigidity are more likely to be incorporated into crystalline products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Role of the coupling between neck and radial degrees of freedom in evolution from dinucleus to mononucleus

The coupled Langevin equations in two-dimensional collective space are used to study the dynamics of nuclear neck growth. Special attention is paid to the effects of coupling between neck and radial degrees of freedom on the evolution from dinucleus to mononuleus. The dynamic model is applied for the study of neck evolution of the mass asymmetric system {sup 50}Ti + {sup 249}Cf. In order to estimate the effects of the coupling, we use the equations in the coupled and uncoupled cases. Our results show that the coupling between neck and radial motions reduces the neck growth velocity and delays the transition from dinuclear to mononuclear regimes. In addition, by solving these dynamic equations we get the probability distributions of radial degree of freedom at the injection point s{sub in} in the asymmetric fission valley. In this way, s{sub in} is no longer an adjustable parameter in the fusion-by-diffusion model. The distributions obtained are located at positions very close to s=0. Moreover, the coupling significantly reduces the fluctuation in the s{sub in} space. Our results show that the quasifissionlike events are unlikely to take place during the transition period for the mass asymmetric systems. Based on the s{sub in} distribution obtained, the evaporation residue (ER) cross sections for 3n and 4n evaporation channels in the {sup 50}Ti + {sup 249}Cf reaction leading to formation of {sup 296}120 and {sup 295}120 isotopes are calculated. The maximum ER cross sections in 3n and 4n channels with the s{sub in} distributions are equal to 0.1 and 0.065 pb, respectively, which are more than two times larger than those obtained by the fusion-by-diffusion model with the s{sub in}=0 assumption.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Systematical calculations of the {sup 136}Xe({sup 136}Xe,xn){sup 272-x}Hs reaction: Effects of quasifission in the early stage of the fusion process

We have reevaluated the {sup 136}Xe({sup 136}Xe,xn){sup 272-x}Hs reaction with a modified fusion-by-diffusion model. In this model, the early dynamics of neck growth is taken into account in terms of the two-dimensional Langevin equation. By numerically solving the dynamic equations, the probability distribution of the separation between the surfaces of two approaching nuclei at the injection point in an asymmetric fission valley is obtained. Before reaching the asymmetric fission valley, the strong electrostatic repulsion may force the system to redisintegrate in a quasifissionlike process. We find that more than 80% of quasifission events occur during the transition from dinuclear to mononuclear regimes for the {sup 136}Xe+{sup 136}Xe reaction. This observation gives credence to the conjecture that the quasifission reaction channel most likely occurs in an early stage of collective motion. By incorporating this essential physical ingredient into the calculations, the modified fusion-by-diffusion model nicely accounts for the experiment of the {sup 136}Xe+{sup 136}Xe reaction performed in Dubna.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

PARTICLE TRANSPORT IN YOUNG PULSAR WIND NEBULAE

The model for pulsar wind nebulae (PWNe) as a result of the magnetohydrodynamic (MHD) downstream flow from a shocked, relativistic pulsar wind has been successful in reproducing many features of the nebulae observed close to central pulsars. However, observations of well-studied young nebulae like the Crab Nebula, 3C 58, and G21.5-0.9 do not show the toroidal magnetic field on a larger scale that might be expected in the MHD flow model; in addition, the radial variation of spectral index due to synchrotron losses is smoother than expected in the MHD flow model. We find that pure diffusion models can reproduce the basic data on nebular size and spectral index variation for the Crab, 3C 58, and G21.5-0.9. Most of our models use an energy-independent diffusion coefficient; power-law variations of the coefficient with energy are degenerate with variation in the input particle energy distribution index in the steady state, transmitting boundary case. Energy-dependent diffusion is a possible reason for the smaller diffusion coefficient inferred for the Crab. Monte Carlo simulations of the particle transport allowing for advection and diffusion of particles suggest that diffusion dominates over much of the total nebular volume of the Crab. Advection dominates close to the pulsar and is likely to play a role in the X-ray half-light radius. The source of diffusion and mixing of particles is uncertain, but may be related to the Rayleigh-Taylor instability at the outer boundary of a young PWN or to instabilities in the toroidal magnetic field structure.

79 ASTRONOMY AND ASTROPHYSICS↗

Multiscale modeling of solute diffusion in triblock copolymer membranes

We develop a multiscale simulation model for diffusion of solutes through porous triblock copolymer membranes. The approach combines two techniques: self-consistent field theory (SCFT) to predict the structure of the self-assembled, solvated membrane and on-lattice kinetic Monte Carlo (kMC) simulations to model diffusion of solutes. Solvation is simulated in SCFT by constraining the glassy membrane matrix while relaxing the brush-like membrane pore coating against the solvent. The kMC simulations capture the resulting solute spatial distribution and concentration-dependent local diffusivity in the polymer-coated pores; we parameterize the latter using particle-based simulations. We apply our approach to simulate solute diffusion through nonequilibrium morphologies of a model triblock copolymer, and we correlate diffusivity with structural descriptors of the morphologies. We also compare the model’s predictions to alternative approaches based on simple lattice random walks and find our multiscale model to be more robust and systematic to parameterize. Furthermore, our multiscale modeling approach is general and can be readily extended in the future to other chemistries, morphologies, and models for the local solute diffusivity and interactions with the membrane.

36 MATERIALS SCIENCE↗

Tritium release from SS316 under vacuum condition

The plasma facing surface of the ITER vacuum vessel, partly made of low carbon austenitic stainless steel type 316L, will incorporate tritium during machine operation. In this paper the kinetics of tritium release from stainless steel type 316 into vacuum and into a noble gas stream are compared and modelled. Type 316 stainless steel specimens loaded with tritium either by exposure to 1.2 kPa HT at 573 K or submersion into liquid HTO at 298 K showed characteristic thin surface layers trapping tritium in concentrations far higher than those determined in the bulk. The evolution of the tritium depth profile in the bulk during heating under vacuum was non-discernible from that of tritium liberated into a stream of argon. Only the relative amount of the two released tritium-species, i.e. HT or HTO, was different. Temperature-dependent depth profiles could be predicted with a one-dimensional diffusion model. Diffusion coefficients derived from fitting of the tritium release into an evacuated vessel or a stream of argon were found to be (1.4 ± 1.0)*10{sup -7} and (1.3 ± 0.9)*10{sup -9} cm{sup 2}/s at 573 and 423 K, respectively. Polished surfaces on type SS316 stainless steel inhibit considerably the thermal release rate of tritium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reduced model prediction of electron temperature profiles in microtearing-dominated National Spherical Torus eXperiment plasmas

A representative H-mode discharge from the National Spherical Torus eXperiment is studied in detail to utilize it as a basis for a time-evolving prediction of the electron temperature profile using an appropriate reduced transport model. The time evolution of characteristic plasma variables such as β{sub e}, ν{sub e}{sup ∗}, the MHD α parameter, and the gradient scale lengths of T{sub e}, T{sub i}, and n{sub e} were examined as a prelude to performing linear gyrokinetic calculations to determine the fastest growing micro instability at various times and locations throughout the discharge. The inferences from the parameter evolutions and the linear stability calculations were consistent. Early in the discharge, when β{sub e} and ν{sub e}{sup ∗} were relatively low, ballooning parity modes were dominant. As time progressed and both β{sub e} and ν{sub e}{sup ∗} increased, microtearing became the dominant low-k{sub θ} mode, especially in the outer half of the plasma. There are instances in time and radius, however, where other modes, at higher-k{sub θ}, may, in addition to microtearing, be important for driving electron transport. Given these results, the Rebut-Lallia-Watkins (RLW) electron thermal diffusivity model, which is based on microtearing-induced transport, was used to predict the time-evolving electron temperature across most of the profile. The results indicate that RLW does a good job of predicting T{sub e} for times and locations where microtearing was determined to be important, but not as well when microtearing was predicted to be stable or subdominant.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

LANL Meteorology Program Self-Assessment 2025 Update

The LANL Meteorological (Met) Program has been subject to several external reviews over the past 19 years. The DOE Meteorological Coordinating Council (DMCC) conducted an initial Met Program Site Assist Visit (SAV) in August 2006 (DMCC 2006). A follow-up SAV in August 2015 assessed progress (DMCC 2015), and in June 2023, the DOE Meteorological Subcommittee (DMSC), successor to the DMCC, conducted a second follow-up SAV (DMSC 2023), in which the Met Program was evaluated relative to the following 8 high-level questions: • What is the state of the meteorological services provided to its customers? • What is the quality of meteorological data provided to its customers and is it adequate and available to meet all customer needs? • What is the quality of atmospheric transport and diffusion modeling provided to its customers and is it applicable to complex wind flow patterns at LANL? • Are the current and future meteorological service customers being serviced appropriately? • Are there adequate human resources to meet present and future program customer needs and are they being appropriately leveraged? • Are existing instrumentation, facilities, and systems adequate to meet present and future customer needs? • Are LANL meteorological services conducted in an efficient, cost-effective manner? • Is meteorological data used to ensure safety & health of LANL personnel? More specific evaluations were performed relative to 23 performance objectives extracted from the ANSI/ANS-3.11- 2024 national standard and 14 separate performance objectives associated with consequence assessment and atmospheric transport and diffusion modeling in the consequence assessment element of DOE G 151.1-1B. In 2023, the DMSC SAV Team also reviewed the status of each of the 18 remaining recommendations from its 2015 SAV. Based on this review, DMSC stated in its Exit Briefing that the LANL meteorological program has gotten much stronger and more robust since 2015 and now represents one of the better managed programs within the DOE complex.

54 ENVIRONMENTAL SCIENCES↗

Flame acceleration and transition to detonation in a pre-/main-chamber combustion system

Numerical simulations are performed to study the mechanism of deflagration to detonation transition (DDT) in a pre-/main-chamber combustion system with a stoichiometric ethylene–oxygen mixture. A Godunov algorithm, fifth-order in space, and third-order in time, is used to solve the fully compressible Navier–Stokes equations on a dynamically adapting mesh. A single-step, calibrated chemical diffusive model described by Arrhenius kinetics is used for energy release and conservation between the fuel and the product. The two-dimensional simulation shows that a laminar flame grows in the pre-chamber and then develops into a jet flame as it passes through the orifice. A strong shock forms immediately ahead of the flame, reflecting off the walls and interacting with the flame front. The shock–flame interactions are crucial for the development of flame instabilities, which trigger the subsequent flame development. The DDT arises due to a shock-focusing mechanism, where multiple shocks collide at the flame front. A chemical explosive mode analysis (CEMA) criterion is developed to study the DDT ignition mode. Preliminary one-dimensional computations for a laminar propagating flame, a fast flame deflagration, and a Chapman–Jouguet detonation are conducted to demonstrate the validity of CEMA on the chemical-diffusive model, as well as to determine the proper conditioning value for CEMA diagnostic. The two-dimensional analysis with CEMA indicates that the DDT initiated by the shock-focusing mechanism can form a strong thermal expansion region at the flame front that features large positive eigenvalues for the chemical explosive mode and dominance of the local autoignition mode. Thus, the CEMA criterion proposed in this study provides a robust diagnostic for identifying autoignition-supported DDT, of which the emergence of excessive local autoignition mode is found to be a precursor. The effect of grid size, initial temperature, and orifice size are then evaluated, and results show that although the close-chamber DDT is highly stochastic, the detonation initiation mechanism remains robust.

42 ENGINEERING↗

Cosmic ray anisotropy in fractional differential models of anomalous diffusion

The problem of galactic cosmic ray anisotropy is considered in two versions of the fractional differential model for anomalous diffusion. The simplest problem of cosmic ray propagation from a point instantaneous source in an unbounded medium is used as an example to show that the transition from the standard diffusion model to the Lagutin-Uchaikin fractional differential model (with characteristic exponent {alpha} = 3/5 and a finite velocity of free particle motion), which gives rise to a knee in the energy spectrum at 10{sup 6} GeV, increases the anisotropy coefficient only by 20%, while the anisotropy coefficient in the Lagutin-Tyumentsev model (with exponents {alpha} = 0.3 and {beta} = 0.8, a long stay of particles in traps, and an infinite velocity of their jumps) is close to one. This is because the parameters of the Lagutin-Tyumentsev model have been chosen improperly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Experimental investigation of defect-assisted and intrinsic water vapor permeation through ultrabarrier films

In the development of ultrabarrier films for packaging electronics, the effective water vapor transmission rate is a combination of permeation through pinhole defects and the intrinsic permeation through the actual barrier film. While it is possible to measure the effective permeation rate through barriers, it is important to develop a better understanding of the contribution from defects to the overall effective barrier performance. Here, we demonstrate a method to investigate independently defect-assisted permeation and intrinsic permeation rates by observing the degradation of a calcium layer encapsulated with a hybrid barrier film, that is, prepared using atomic layer deposition (ALD) and plasma enhanced deposition (PECVD). The results are rationalized using an analytical diffusion model to calculate the permeation rate as a function of spatial position within the barrier. It was observed that a barrier film consisting of a PECVD SiN{sub x} layer combined with an ALD Al{sub 2}O{sub 3}/HfO{sub x} nanolaminate resulted in a defect-assisted water vapor transmission rate (WVTR) of 4.84 × 10{sup −5} g/m{sup 2} day and intrinsic WVTR of 1.41 × 10{sup −4} g/m{sup 2} day at 50 °C/85% RH. Due to the low defect density of the tested barrier film, the defect-assisted WVTR was found to be three times lower than the intrinsic WVTR, and an effective (or total) WVTR value was 1.89 × 10{sup −4} g/m{sup 2} day. Thus, improvements of the barrier performance should focus on reducing the number of defects while also improving the intrinsic barrier performance of the hybrid layer.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Ensemble‐Based, Large‐Eddy Reconstruction of Wind Turbine Inflow in a Near‐Stationary Atmospheric Boundary Layer Through Generative Artificial Intelligence

ABSTRACT To validate the second‐by‐second dynamics of turbines in field experiments, it is necessary to accurately reconstruct the winds going into the turbine. Current time‐resolved inflow reconstruction techniques estimate wind behavior in unobserved regions using relatively simple spectral‐based models of the atmosphere. Here, we develop a technique for time‐resolved inflow reconstruction that is rooted in a large‐eddy simulation model of the atmosphere. Our “large‐eddy reconstruction” technique blends observations and atmospheric model information through a diffusion model machine learning algorithm, allowing us to generate probabilistic ensembles of reconstructions for a single 10‐min observational period. Our generated inflows can be used directly by aeroelastic codes or as inflow boundary conditions in a large‐eddy simulation. We verify the second‐by‐second reconstruction capability of our technique in three synthetic field campaigns, finding positive Pearson correlation coefficient values () between ground‐truth and reconstructed streamwise velocity, as well as smaller positive correlation coefficient values for unobserved fields (spanwise velocity, vertical velocity, and temperature). We validate our technique in three real‐world case studies by driving large‐eddy simulations with reconstructed inflows and comparing to independent inflow measurements. The reconstructions are visually similar to measurements, follow desired power spectra properties, and track second‐by‐second behavior ().

17 WIND ENERGY↗