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At least 1,333 records · Page 74

Computing resonant modes of accelerator cavities by solving nonlinear eigenvalue problems via rational approximation

Here, we present an efficient and reliable algorithm for solving a class of nonlinear eigenvalue problems arising from the modeling of particle accelerator cavities. The eigenvalue nonlinearity in these problems results from the use of waveguides to couple external power sources or to allow certain excited electromagnetic modes to exit the cavity. We use a rational approximation to reduce the nonlinear eigenvalue problem first to a rational eigenvalue problem. We then apply a special linearization procedure to turn the rational eigenvalue problem into a larger linear eigenvalue problem with the same eigenvalues, which can be solved by existing iterative methods. By using a compact scheme to represent both the linearized operator and the eigenvectors to be computed, we obtain a numerical method that only involves solving linear systems of equations of the same dimension as the original nonlinear eigenvalue problem. We refer to this method as a compact rational Krylov (CORK) method. We implemented the CORK method in the Omega3P module of the Advanced Computational Electromagnetic 3D Parallel (ACE3P) simulation suite and validated it by comparing the computed cavity resonant frequencies and damping Q factors of a small model problem to those obtained from a fitting procedure that uses frequency responses computed by another ACE3P module called S3P. We also used the CORK method to compute trapped modes damped in an ideal eight 9-cell SRF cavity cryomodule. This was the first time it was possible to compute these modes directly. The damping Q factors of the computed modes match well with those measured in experiments and the difference in resonant frequencies is within the range introduced by cavity imperfection. Therefore, the CORK method is an extremely valuable tool for computational cavity design.

43 PARTICLE ACCELERATORS↗

Design and fabrication of a four-rod radio frequency quadrupole with a variable aperture

Radiofrequency quadrupole (RFQ) linear accelerators with variable aperture cell parameters offer an effective means of accelerating high-intensity ion beams exceeding 100 mA and have been implemented in various RFQ designs. However, in a four-rod RFQ, the use of dielectric perturbation methods to measure the voltage distribution behind the rod electrodes is not applicable when implementing variable aperture geometries, because changes in the rod shape influence the electric field at the location of the perturbation element. Therefore, it was necessary to design the rod profile for each cell such that the electric field distribution behind the rods remains unaffected by changes in the aperture. In this study, we present a method to adjust the voltage distribution by modifying the geometry of the rod electrodes according to each cell's aperture parameters. This design approach enables the integration of variable aperture cells into a four-rod RFQ linac, significantly enhancing the achievable beam current. To ensure uniform capacitance and maintain a constant rod-electrode voltage despite variations in the average aperture radius, we developed a systematic method for shaping the rod electrodes. This method was refined using two-dimensional (2D) and three-dimensional (3D) electromagnetic field simulations to optimize the electrode cross-sectional profiles. The fabricated rod electrodes were then installed in a four-rod RFQ, and the electric field distribution was measured using the perturbation method and tuned by adjusting the base plates. As a result, the measured variation of ±1.1 % confirms that this design methodology can produce a sufficiently uniform voltage distribution for high-current beam acceleration. These results demonstrate the practical feasibility of a variable-aperture four-rod RFQ linac.

43 PARTICLE ACCELERATORS↗

Impact of LWR assembly structural features on cladding burst behavior under LOCA conditions

This provides an initial scoping study on clad balloon and burst behavior for burnup extension of reactor fuel. The associated issues with burnup extension are fuel fragmentation, relocation, and dispersal in the event of cladding failure. The general finding of this work is that the structural features, spacer grids and mixing vanes, locally suppress cladding deformation but have little impact on the overall clad performance during loss-of-coolant accidents. The work detailed in a previous report by Capps et al. focused on core optimization via neutronics, thermal hydraulics and thermomechanical analysis for burnups beyond 62 GWD/tU and enrichments above 5%. Uncertainty of fuel fragmentation relocation and dispersal in high-burnup rods during accident conditions was also investigated. The dispersal aspect of fuel fragmentation depends on cladding rupture. Thus, assessing uncertainties in the rupture behavior is helpful in estimating the dispersal of high-burnup fuel. This study builds on the previous work by assessing the impact of assembly structural features on cladding balloon and burst behavior in a full-length fuel rod. In this work, the BISON fuel performance code was used to generate 2D radial and height meshes containing structural features commonly used in nuclear fuel assemblies. First, meshes were generated with spacer grids. Results were then compared to the cladding burst temperature and balloon strain results from the previous work. A mesh sensitivity study was performed to ensure that mixing vanes and spacer grid effects were appropriately considered, resulting in a more refined mesh than the previous study. The balloon deformation and burst times of the cladding were compared to the original case. Consideration was also given to the effect of rod initial pressure. In conclusion, 3D quarter rod simulations were also performed and found good agreement with the 2D simulations in clad deformation and reasonable agreement in burst times.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Three dimensional cluster analysis for atom probe tomography using Ripley’s K-function and machine learning

The size and structure of spatial molecular and atomic clustering can significantly impact material properties and is therefore important to accurately quantify. Ripley’s K-function (K(r)), a measure of spatial correlation, can be used to perform such quantification when the material system of interest can be represented as a marked point pattern. This work demonstrates how machine learning models based on K (r)-derived metrics can accurately estimate cluster size and intra-cluster density in simulated three dimensional (3D) point patterns containing spherical clusters of varying size; over 90% of model estimates for cluster size and intra-cluster density fall within 11% and 18% error of the true values, respectively. These K (r)-based size and density estimates are then applied to an experimental APT reconstruction to characterize MgZn clusters in a 7000 series aluminum alloy. Here we find that the estimates are more accurate, consistent, and robust to user interaction than estimates from the popular maximum separation algorithm. Using K (r) and machine learning to measure clustering is an accurate and repeatable way to quantify this important material attribute.

36 MATERIALS SCIENCE↗

Dependence of the Band Gap of CdSe Quantum Dots on the Surface Coverage and Binding Mode of an Exciton-Delocalizing Ligand, Methylthiophenolate

Displacement of native octylphosphonate (OPA) ligands for methylthiophenolate (CH 3 -TP) on the surfaces of CdSe quantum dots (QDs) causes a moderate (up to 50 meV) decrease in the band gap ( E g ) of the QD. Plots of the corresponding increase in apparent excitonic radius, Δ R , of the QDs versus the surface coverage of CH 3 -TP, measured by 1 H NMR, for several sizes of QDs reveal that this ligand adsorbs in two distinct binding modes, (1) a tightly bound mode ( K a = 1.0 ± 0.3 × 10 4 M –1 ) capable of exciton delocalization, and (2) a more weakly bound mode ( K a = 8.3 ± 9.9 × 10 2 M –1 ) that has no discernible effect on exciton confinement. For tightly bound CH 3 -TP, the degree of delocalization induced in the QD is approximately linearly related to the fractional surface area occupied by the ligand for all sizes of QDs. Finally, comparison of the dependence of Δ R on surface coverage of CH 3 -TP over a range of physical radii of the QDs, R = 1.1–2.4 nm, to analogous plots simulated using a 3D spherical potential well model yield a value for the confinement barrier presented to the excitonic hole by tightly bound CH 3 -TP of ~1 eV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sliceable, Moldable, and Highly Conductive Electrolytes for All-Solid-State Batteries

All-solid-state batteries (ASSBs) require solid electrolytes with high ionic conductivity, stability, and deformability for optimal energy and power density. Here, we developed lithium-deficient lithium yttrium bromide (LYB) solid electrolytes, Li 3–x YBr 6–x (0 ≤ x ≤ 0.50), using a comelting method with controlled lithium deficiency. These electrolytes exhibit favorable mechanical properties such as high moldability and sliceability. The Li 2.65 YBr 5.65 composition has an ionic conductivity of 4.49 mS cm –1 at 25 °C and an activation energy of 0.28 eV. Compared to Li 3 YBr 6 , Li 2.65 YBr 5.65 demonstrates improved rate performance and cycling stability in ASSBs. High-resolution X-ray diffraction confirms the formation of the LYB phase with a C2/m space group. Structural analysis reveals increased cation disorder and larger polyhedral volumes for x > 0 in Li 3–x YBr 6–x , contributing to reduced Li + migration energy barriers. Bond valence site energy calculations and molecular dynamics simulations reveal enhanced 3D lithium-ion transport. NMR spectroscopy further highlights increased Li + dynamics and impurity elimination.

Poudel, Tej P. [Florida State Univ., Tallahassee, ↗

River Dynamics Control Transit Time Distributions and Biogeochemical Reactions in a Dam-Regulated River Corridor

Residence Time Distributions (RTDs) exert an important control on biogeochemical translation in the hydrological systems. Previous tracer studies have revealed that RTDs often followed time-invariant exponential, lognormal, or heavy-tailed RTDs that have power-law behavior for long tails in headwater or low-order streams. However, there is a recognition that RTDs can be more complicated and time-variable in response to dynamic hydrological forcing. Here, we use particle tracking to estimate RTDs along the Hanford Reach of the Columbia River and to quantify the influences of river stage fluctuations. Particle tracking is conducted using the velocity field from high-resolution 3D groundwater flow simulations. The effects of hydrological forcing on the residence time distribution were evaluated by varying river flow boundary conditions and releasing particles in different time windows. Our results revealed that dynamic stage fluctuations created rapidly changing losing-gaining conditions in the river and led to highly transient RTDs, which contributes to multiple modes of RTDs. Dam-induced high-frequency (sub-daily) flow variation contributes to the short-time (sub-daily) component of the RTDs. Deviation of the reactant consumption under the single-mode assumption compared to the multimodal RTDs is relatively small (~5%) and appears when the Damköhler number was close to one.More specifically, high-frequency (daily) dam-induced stage variations have higher impacts on biogeochemical reactions with faster reaction rate, and can potentially increase the reactant consumption by 26.68%. Based on these findings, we suggest that current river basin models could be improved by including bank storage and more complex RTDs influenced by both short and long term river stage fluctuations.

54 ENVIRONMENTAL SCIENCES↗

Light Transfers Through a Koch Shape Cloud

Abstract Modeling radiative transfer in a 3D cloudy atmosphere is critical to climate projections. A recently developed fast 3D radiation parameterization scheme gains some success in quantifying horizontal radiative transfer through cloud sides using cloud area fraction. Based on 3D Monte Carlo simulations of radiative transfer through an idealized single‐layer cloud with Koch‐shaped fractal geometry edges, here we show that radiative energy transport through cloud sides correlates more significantly with cloud area fraction than with cloud perimeter length. The results exemplify the importance of accounting for the horizontal radiative energy exchanges between cloud‐free and cloudy regions with cloud area fraction. Results from additional sensitivity simulations show that increased cloud vertical extent often enhances cloud‐side sunlight leak more significantly than cloud‐side sunlight interception. At low sun elevations, cloud‐side sunlight interception is enhanced more than cloud‐side sunlight leak does with the increase of cloud mass.

58 GEOSCIENCES↗

Development of the MPACT 69-group Library for Magnox Reactor Analysis using CASL VERA

The Consortium for Advanced Simulation of Light Water Reactors (CASL) has developed the CASL toolset, Virtual Environment for Reactor Analysis (VERA), for pressurized water reactor (PWR) analysis. Recently the CASL VERA was improved for Magnox reactor analysis, which required the development of a new cross section library and new geometrical and thermal feedback capabilities for graphite-moderated Magnoxreactors. The MPACT neutronics module of the CASL core simulator is a 3D whole core transport code, which requires a new cross section library with a different energy group structure due to the different neutronic characteristics of Magnox compared with PWR. A new 69-group structure was developed based on the MPACT 51-group structure to have more thermal energy groups and to be a subset of the SCALE 252-group structure. The ENDF/B-VII.1 MPACT 69-group library was developed for Magnox reactor analysis using the SCALE/AMPX and VERA-XSTools for which a super-homogenization method was applied, and transport cross sections were generated for graphite using a neutron leakage conservation method. Benchmark results show that new MPACT 69-group library works reasonably well for Magnox reactor analysis.

Kim, Kang Seog↗

Studies of the 3D surface roughness height

Nowadays nano-coatings occupy more and more significant place in technology. Innovative, functional coatings acquire new aspects from the point of view of modern technologies, considering the aggregate of physical properties that can be achieved manipulating in the production process with the properties of coatings’ surfaces on micro- and nano-level. Nano-coatings are applied on machine parts, friction surfaces, contacting parts, corrosion surfaces, transparent conducting films (TCF), etc. The equipment available at present for the production of transparent conducting oxide (TCO) coatings with highest quality is based on expensive indium tin oxide (ITO) material; therefore cheaper alternatives are being searched for. One such offered alternative is zink oxide (ZnO) nano-coatings. Evaluating the TCF physical and mechanical properties and in view of the new ISO standard (EN ISO 25178) on the introduction of surface texture (3D surface roughness) in the engineering calculations, it is necessary to examine the height of 3D surface roughness, which is one of the most significant roughness parameters. The given paper studies the average values of 3D surface roughness height and the most often applied distribution laws are as follows: the normal distribution and Rayleigh distribution. The 3D surface is simulated by a normal random field.

36 MATERIALS SCIENCE↗

The make-up of stars

The chemical composition of stars contain vital clues not only about the stars themselves but also about the conditions prevailing before their births. As such, stellar spectroscopy plays a key role in contemporary astrophysics and cosmology by probing cosmic, galactic, stellar and planetary evolution. In this review I will describe the theoretical foundations of quantitative stellar spectroscopy: stellar atmosphere models and spectral line formation. I will focus mainly on more recent advances in the field, in particular the advent of realistic time-dependent, 3D, (magneto-)hydrodynamical simulations of stellar surface convection and atmospheres and non-LTE radiative transfer relevant for stars like the Sun. I will also discuss some particular applications of this type of modelling which have resulted in some exciting break-throughs in our understanding and with wider implications: the solar chemical composition, the chemical signatures of planet formation imprinted in stellar abundances, the cosmological Li problem(s) and where the first stars may be residing today.

79 ASTRONOMY AND ASTROPHYSICS↗

Demonstration of cathode emittance dominated high bunch charge beams in a DC gun-based photoinjector

We present the results of transverse emittance and longitudinal current profile measurements of high bunch charge (≥100 pC) beams produced in the DC gun-based Cornell energy recovery linac photoinjector. In particular, we show that the cathode thermal and core beam emittances dominate the final 95% and core emittances measured at 9–9.5 MeV. Additionally, we demonstrate excellent agreement between optimized 3D space charge simulations and measurement, and show that the quality of the transverse laser distribution limits the optimal simulated and measured emittances. These results, previously thought achievable only with RF guns, demonstrate that DC gun based photoinjectors are capable of delivering beams with sufficient single bunch charge and beam quality suitable for many current and next generation accelerator projects such as Energy Recovery Linacs and Free Electron Lasers.

43 PARTICLE ACCELERATORS↗

3D printer generated thorax phantom with mobile tumor for radiation dosimetry

This article describes the design, construction, and properties of an anthropomorphic thorax phantom with a moving surrogate tumor. This novel phantom permits detection of dose both inside and outside a moving tumor and within the substitute lung tissue material. A 3D printer generated the thorax shell composed of a chest wall, spinal column, and posterior regions of the phantom. Images of a computed tomography scan of the thorax from a patient with lung cancer provided the template for the 3D printing. The plastic phantom is segmented into two materials representing the muscle and bones, and its geometry closely matches a patient. A surrogate spherical plastic tumor controlled by a 3D linear stage simulates a lung tumor’s trajectory during normal breathing. Sawdust emulates the lung tissue in terms of average and distribution in Hounsfield numbers. The sawdust also provides a forgiving medium that permits tumor motion and sandwiching of radiochromic film inside the mobile surrogate plastic tumor for dosimetry. A custom cork casing shields the film and tumor and eliminates film bending during extended scans. The phantom, lung tissue surrogate, and radiochromic film are exposed to a seven field plan based on an ECLIPSE plan for 6 MV photons from a Trilogy machine delivering 230 cGy to the isocenter. The dose collected in a sagittal plane is compared to the calculated plan. Gamma analysis finds 8.8% and 5.5% gamma failure rates for measurements of large amplitude trajectory and static measurements relative to the large amplitude plan, respectively. These particular gamma analysis results were achieved using parameters of 3% dose and 3 mm, for regions receiving doses >150 cGy. The plan assumes a stationary detection grid unlike the moving radiochromic film and tissues. This difference was experimentally observed and motivated calculated dose distributions that incorporated the phase of the tumor periodic motion. These calculations modestly improve agreement between the measured and intended doses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system

The effect of size on electronic states in a strained pyramidal InAs-GaAs quantum dot system was studied. A comparison was made between two InAs quantum pyramids of different sizes embedded inside a cubic GaAs susbtrate material. Strain relaxation was carried out via the Metropolis Monte Carlo method and the calculated local strain tensors were then included to solve the energy values and the wave functions of the electronic states inside the two simulation cube. The 3D finite difference scheme was employed to solve the time independent Schrödinger equation based on the decoupled electron-hole model. Calculated energy values of the four lowest electronic states showed that the transitions between the electron and hole states widen as the size of the dot becomes smaller especially between the ground states. The confinement of electrons and holes become weaker as the size of the dot reduces.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Time-resolved velocity and ion sound speed measurements from simultaneous bow shock imaging and inductive probe measurements

We present a technique to measure the time-resolved velocity and ion sound speed in magnetized, supersonic high-energy-density plasmas. We place an inductive (“b-dot”) probe in a supersonic pulsed-power-driven plasma flow and measure the magnetic field advected by the plasma. As the magnetic Reynolds number is large (R M > 10), the plasma flow advects a magnetic field proportional to the current at the load. This enables us to estimate the flow velocity as a function of time from the delay between the current at the load and the signal at the probe. The supersonic flow also generates a hydrodynamic bow shock around the probe, the structure of which depends on the upstream sonic Mach number. By imaging the shock around the probe with a Mach–Zehnder interferometer, we determine the upstream Mach number from the shock Mach angle, which we then use to determine the ion sound speed from the known upstream velocity. We use the sound speed to infer the value of Z̄T e , where Z̄ is the average ionization and T e is the electron temperature. We use this diagnostic to measure the time-resolved velocity and sound speed of a supersonic (M S ~ 8), super-Alfvénic (M A ~ 2) aluminum plasma generated during the ablation stage of an exploding wire array on the Magpie generator (1.4 MA, 250 ns). The velocity and Z̄T e measurements agree well with the optical Thompson scattering measurements reported in the literature and with 3D resistive magnetohydrodynamic simulations in GORGON.

47 OTHER INSTRUMENTATION↗

Hall instability driven seeding of helical magneto-Rayleigh–Taylor instabilities in axially premagnetized thin-foil liner Z-pinch implosions

Helical magneto-Rayleigh–Taylor instability (MRTI) structures have been observed in z-pinch-driven liner implosion experiments with a pre-imposed axial magnetic field. We show that the formation of these helical structures can be described by a Hall magnetohydrodynamical (HMHD) model. We used the 3D extended magnetohydrodynamics simulation code PERSEUS (which includes Hall physics) [Seyler and Martin, Phys. Plasmas 18, 012703 (2011)] to study these helical instabilities and show that a Hall interchange instability in low-density coronal plasma immediately surrounding the dense liner is responsible for producing helically oriented effects in the magnetic field and current density within the coronal layer. Here, this seeds the helical pitch angle of the MRTI even when other proposed helical seeding mechanisms are either not present in the experiments or not accounted for in the simulations. For example, this mechanism does not require low-density power-feed plasmas to be swept in from large radius or the development of electrothermal instabilities. The Hall Instability is, thus, a new, independent explanation for the origin of the helical instabilities observed in axially premagnetized liner experiments. Simulation results supporting this mechanism are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Parallel magnetic field suppresses dissipation in superconducting nanostrips

The motion of Abrikosov vortices in type-II superconductors results in a finite resistance in the presence of an applied electric current. Elimination or reduction of the resistance via immobilization of vortices is the "holy grail" of superconductivity research. Common wisdom dictates that an increase in the magnetic field escalates the loss of energy since the number of vortices increases. Here we show that this is no longer true if the magnetic field and the current are applied parallel to each other. Our experimental studies on the resistive behavior of a superconducting Mo0.79Ge0.21 nanostrip reveal the emergence of a dissipative state with increasing magnetic field, followed by a pronounced resistance drop, signifying a reentrance to the superconducting state. Large-scale simulations of the 3D time-dependent Ginzburg-Landau model indicate that the intermediate resistive state is due to an unwinding of twisted vortices. When the magnetic field increases, this instability is suppressed due to a better accommodation of the vortex lattice to the pinning configuration. Our findings show that magnetic field and geometrical confinement can suppress the dissipation induced by vortex motion and thus radically improve the performance of superconducting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

THE DETONATION MECHANISM OF THE PULSATIONALLY ASSISTED GRAVITATIONALLY CONFINED DETONATION MODEL OF Type Ia SUPERNOVAE

We describe the detonation mechanism composing the 'pulsationally assisted' gravitationally confined detonation (GCD) model of Type Ia supernovae. This model is analogous to the previous GCD model reported in Jordan et al.; however, the chosen initial conditions produce a substantively different detonation mechanism, resulting from a larger energy release during the deflagration phase. The resulting final kinetic energy and {sup 56}Ni yields conform better to observational values than is the case for the 'classical' GCD models. In the present class of models, the ignition of a deflagration phase leads to a rising, burning plume of ash. The ash breaks out of the surface of the white dwarf, flows laterally around the star, and converges on the collision region at the antipodal point from where it broke out. The amount of energy released during the deflagration phase is enough to cause the star to rapidly expand, so that when the ash reaches the antipodal point, the surface density is too low to initiate a detonation. Instead, as the ash flows into the collision region (while mixing with surface fuel), the star reaches its maximally expanded state and then contracts. The stellar contraction acts to increase the density of the star, including the density in the collision region. This both raises the temperature and density of the fuel-ash mixture in the collision region and ultimately leads to thermodynamic conditions that are necessary for the Zel'dovich gradient mechanism to produce a detonation. We demonstrate feasibility of this scenario with three three-dimensional (3D), full star simulations of this model using the FLASH code. We characterized the simulations by the energy released during the deflagration phase, which ranged from 38% to 78% of the white dwarf's binding energy. We show that the necessary conditions for detonation are achieved in all three of the models.

79 ASTRONOMY AND ASTROPHYSICS↗