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153 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Taylor wave solution for a general equation of state

This document describes a solution procedure for calculating the Taylor wave behind an unsupported Chapman–Jouguet (CJ) detonation in planar, cylindrical, and spherical geometries given a general equation of state. The resulting semi-analytic solution can be utilized to examine new equation of state models for detonation products and during the verification of hydrodynamic codes. The governing partial differential equations are reduced to ordinary differential equations in both characteristic and self-similar forms. The first-order systems corresponding to each geometry are amenable to solution numerically using commonly available methods. A difficulty arises at the CJ point in radial coordinates where the similarity equations become singular. Two separate strategies are proposed to integrate the first-order system. The first one uses an asymptotic approximation near the CJ point that can be used to perturb the boundary conditions. The second one applies a change of variables which removes the singularity at the expense of an additional equation to be integrated. A test problem is provided for the Davis products equation of state to illustrate the qualitative features of the Taylor wave in each geometric configuration and compared with a Lagrangian hydrodynamics research code. A Python code listing gives an implementation using the SciPy library to assists users in generating the results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Search for the 1/2 + intruder state in 35 P

The excitation energy of deformed intruder states (specifically the 2p2h bandhead) as a function of proton number Z along N = 20 is of interest both in terms of better understanding the evolution of nuclear structure between spherical Ca 40 and the Island of Inversion nuclei, and for benchmarking theoretical descriptions in this region. At the center of the N = 20 Island of Inversion, the n p n h (where n = 2 , 4 , 6 ) neutron excitations across a diminished N = 20 gap result in deformed and collective ground states, as observed in Mg 32 . In heavier isotones, n p n h excitations do not dominate in the ground states but are present in the relatively low-lying level schemes. With the aim of identifying the expected 2 p 2 h x s 1 / 2 + state in P 35 , the only N = 20 isotone for which the neutron 2p2h excitation bandhead has not yet been identified, the S 36 ( d , He 3 ) P 35 reaction has been revisited in inverse kinematics with the HELical Orbit Spectrometer (HELIOS) at the Argonne Tandem Linac Accelerator System (ATLAS). While a candidate state has not been located, an upper limit for the transfer reaction cross section to populate such a configuration within a 2.5 to 3.6 MeV energy range provides a stringent constraint on the wave function compositions in both S 36 and P 35 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Electromagnetic moments of 215,217 Bi: Probing shell evolution beyond N = 126

The nuclear properties of bismuth isotopes (Z = 83) , with just one valence proton above the closed spherical shell at (Z = 82) , are expected to be governed by a single unpaired proton. However, already in semimagic 209 Bi (Z = 83, N = 126) , , the magnetic moment (μ) strongly deviates from the single-particle Schmidt value. A near linear decrease in μ with the increase of N after the N = 126 magic number was observed up to N = 130 . In order to test whether this trend is kept at N > 130 and to reveal the underlying mechanisms, an investigation of 215,217 Bi (N = 132, 134) has been undertaken. The magnetic dipole and electric quadrupole moments of the I π = 9/2 - nuclear ground states in these isotopes have been measured for the first time using the in-source resonance-ionization spectroscopy technique at ISOLDE (CERN). It has been shown that the linearly decreasing trend of μ( 209,211,213 Bi g ) is broken in 215,217 Bi with a nearly constant value of μ observed. Experimental data have been compared to calculations in the framework of the configuration-interaction shell model with the monopole-based universal V MU +LS interaction. The peculiarities in the behavior of μ(Bi, 9/2 - ) with increasing neutron number are explained as being due to the shell evolution, change of the neutron orbitals occupancies and strong configuration mixing beyond N = 130 . Also, the difference in the μ trends for bismuth (Z = 83) and astatine (Z = 85) isotopes with N > 126 are reproduced by the shell-model calculations. It is shown that monopole interaction plays noticeable role in the description of the peculiarities of the μ behaviour. Additionally, the extension of the application of the V MU interaction to the μ isotopic trends for heavy nuclei is important for further study of the capabilities of this promising version of the shell-model calculations.

Dipole magnetic moments↗
DOE OSTI2021

Magnetic and dielectric property control in the multivalent nanoscale perovskite Eu 0.5 Ba 0.5 TiO 3

We report nanoscale Eu 0.5 Ba 0.5 TiO 3 , a multiferroic in the bulk and candidate in the search to quantify the electric dipole moment of the electron. Eu 0.5 Ba 0.5 TiO 3 , in the form of nanoparticles and other nanostructures is interesting for nanocomposite integration, biomedical imaging and fundamental research, based upon the prospect of polarizability, f-orbital magnetism and tunable optical/radio luminescence. We developed a [non-hydrolytic]sol–[H 2 O-activated]gel route, derived from in-house metallic Ba (s) /Eu (s) alkoxide precursors and Ti{(OCH(CH 3 ) 2 } 4 . Two distinct nanoscale compounds of Ba:Ti:Eu with the parent perovskite crystal structure were produced, with variable dielectric, magnetic and optical properties, based on altering the oxidizing/reducing conditions. Eu 0.5 Ba 0.5 TiO 3 prepared under air/O 2 atmospheres produced a spherical core–shell nanostructure (30–35 nm), with perovskite Eu 0.5 Ba 0.5 TiO 3 nanocrystal core-insulating oxide shell layer (~3 nm), presumed a pre-pyrochlore layer abundant with Eu 3+ . Fluorescence spectroscopy shows a high intensity 5 D 0 → 7 F 2 transition at 622 nm and strong red fluorescence. The core/shell structure demonstrated excellent capacitive properties: assembly into dielectric thin films gave low conductivity (2133 GΩ mm -1 ) and an extremely stable, low loss permittivity of ε eff ~25 over a wide frequency range (tan δ < 0.01, 100 kHz–2 MHz). Eu 0.5 Ba 0.5 TiO 3 prepared under H 2 /argon produced more irregular shaped nanocrystals (20–25) nm, with a thin film permittivity around 4 times greater ( ε eff 101, tan δ < 0.05, 10 kHz–2 MHz, σ ~59.54 kΩ mm -1 ). Field-cooled magnetization values of 0.025 emu g -1 for EBTO-Air and 0.84 emu g -1 for EBTO-Argon were observed. X-ray photoelectron spectroscopy analysis reveals a complex interplay of Eu II/III /Ti III/IV configurations which contribute to the observed ferroic and fluorescence behavior.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Overview of the MAST Upgrade physics programme: testing novel concepts at low aspect ratio to inform future devices

The research programme performed on the Mega Amp Spherical Tokamak (MAST) Upgrade experiment has made significant advances in developing the physics understanding of low aspect ratio tokamaks in support of the operation of ITER and design of fusion powerplants. High performance plasma scenarios have been developed to facilitate a broad programme of experiments, in which confinement is constrained by the presence of m/n = 2/1 modes that cause substantial losses of fast ions. The onset of these modes coincides with the q = 2 surface residing in a local minimum in the toroidal current density profile. The maximum electron temperature at the pedestal top, T e,ped is limited with gas fuelling to ∼350 eV to maintain regular ELMs; higher T e,ped results in a transition to a non-stationary ELM-free regime. The operational space of spherical tokamaks has been expanded into small and ELM-free regimes. Strong shaping of the last closed flux surface can induce a transition from large to small ELMs, and ELM suppression with resonant magnetic perturbations has been observed for the first time in a low aspect ratio tokamak. Negative triangularity shaping has induced a transition from ELMy H-mode to a high-performance L-mode regime for the first time in a low aspect ratio tokamak. In studies of fast ion confinement, losses of fast particles due to Global Alfvén Eigenmodes have been identified. Interactions between fast ions generated by off-axis neutral beam injection and thermal neutrals can result in significant losses of fast ions. Experiments with on- and off-axis neutral beam injection exhibit a flux pumping mechanism, where the central safety factor is held to ∼1 in the absence of sawteeth. In studies of pedestal physics, it has been found that elevated main chamber neutral pressures result in an increase in the electron density and reduction in the temperature at the pedestal top. Advances in understanding plasma exhaust include the integration of a high-performance plasma core with detached outer divertors in the X-point target configuration. A newly commissioned lower divertor cryopump reduces the lower divertor neutral pressure by up to 50%, with minimal effect on the main chamber or upper divertor. New measurements and SOLPS-ITER simulations emphasise the importance of plasma–neutral interactions on divertor detachment in the conditions accessible in experiments. Real-time control of the ionisation front location in both divertor chambers independently has been demonstrated in double null experiments, enabled by the tightly baffled divertor chambers.

MAST Upgrade↗
DOE OSTI2026

Current ramp-up studies for NSTX-U in support of the development of non-inductive current ramp-up scenarios in STs

The Spherical Tokamak (ST) is a low-aspect-ratio tokamak projected to enable simultaneous operation at high normalized toroidal beta and high bootstrap current fraction. However, a compact ST reactor cannot be built with a full-sized solenoid. The remaining current required for sustained operation must be ramped up non-inductively. Sustained 100% non-inductive current drive at the MA level has not yet been demonstrated on an ST. Non-inductive current ramp-up is therefore a more challenging objective that the NSTX-U research program aims to address. In support of this development, free-boundary TRANSP simulations have been used to develop a current ramp-up scenario in which a significant fraction of the current is driven non-inductively by a combination of neutral-beam and bootstrap current drive. The resulting discharge has properties favorable for non-inductive current drive, such as a low normalized internal plasma inductance of approximately 0.45, a minimum safety factor exceeding 2, and a slightly reversed-shear q-profile. In these discharges, the plasma current ramps to 900 kA within 250 ms in an L-mode configuration, with varying electron density and density profiles. These discharges should be suitable for next-step NSTX-U experiments aimed at generating a robust L-mode fiducial scenario with low central solenoid flux consumption, which could be progressively improved as new NSTX-U experimental discharges are developed.

Raman, Roger [Univ. of Washington, Seattle, WA (Un↗
DOE OSTI2020

On the character of turbulent-like flows in self-consistent models of core-collapse supernovae

Neutrino-driven convection plays a crucial role in the development of core-collapse supernova (CCSN) explosions. However, the complex mechanism that triggers the shock revival and the subsequent explosion has remained inscrutable for many decades. Multidimensional simulations suggest that the growth of fluid instabilities, especially development of convection, will determine the morphology of the explosion. We have performed 3D simulations using spherical-polar coordinates covering a reduced angular extent (90° computational domain), and with angular resolutions of 2°, 1°, 1/2°, and 1/4°, to study the development of turbulent-like flows in core-collapse supernova explosions on a time scale of order 100 ms. We have employed the multi-physics Chimera code that includes detailed nuclear physics and spectral neutrino transport. Coarse resolution models do not develop an inertial range, presumably due to the bottleneck effect, such that the energy is prevented from cascading down to small scales and tends to accumulate at large scales. High-resolution models instead, start to recover the k −5/3 scaling of Kolmogorov's theory. Stochasticity and few simulation samples limit our ability to predict the development of explosions. Over the simulated time period, our models show no clear trend in improving (or diminishing) conditions for explosion as the angular resolution is increased. However, we find that disordered flow provides an effective pressure, as characterized by the Reynolds stress, behind the shock. This contribution, ~40%–50% of the thermal pressure, aids shock revival and thus the development of the explosion. Finally, we show that the kinetic energy power spectrum of reduced angular extent and full 4π models are consistent, thus indicating that a 90° computational domain is an adequate configuration to study the character of turbulence in CCSNe.

Casanova Bustamante, Jordi↗
DOE OSTI2025

Langevin Dynamics modeling of gas-phase ion-ion recombination (Final Technical Report)

A self-consistent trajectory simulation approach to model MN reactions (Fig. 1) which incorporates the probability of electron transfer as a Monte Carlo operator (Fig. 2) was developed and published as Liu et al. J. Chem. Phys. 159, 114111 (2023). The electron transfer probability p ET estimated using the two-state Landau-Zener (LZ) theory was incorporated into classical trajectory simulations to elicit predictions of MN reaction cross-section σ (vacuum) or rate constant β (finite pressure). Electronic structure calculations with multireference configuration interaction (MRCI) and large correlation consistent basis sets were used to derive inputs to the LZ theory. The key advance of our trajectory simulation approach is the incorporation of electron transfer probability and the inclusion of the effect of ion-neutral interactions on MN using a Langevin representation of the effect of neutral gas on ions. For H + – H - and Li + – H(D) - pairs, our approach quantitatively agrees with measured speed-dependent cross-sections for up to ~10 5 m/s. For the ion pair Ne + – Cl - , our predictions of the MN rate constant at ~1 torr are a factor of ~2 – 3 higher than the experimentally measured value. Similarly, for Xe + – F - in the pressure range of ~20000 – 80000 Pa, our predictions of the MN rate constant are ~20% lower but are in excellent qualitative agreement with experimental data. The paradigm of using trajectory simulations to self-consistently model MN reactions is the basis for inclusion of additional non-classical, and static magnetic and electric field effects. Subsequent work, published as Roy et al. focused on modeling recombination rate constant for three ion pairs (rare gas Ar + cation and halide anions): Ar + – Cl - , Ar + – Br - , Ar + – I - , 2) considering spin-orbit couplings in the electronic structure calculations to obtain high-fidelity estimates of the electron transfer probability and incorporated within the classical trajectory simulations to elicit predictions. In addition to calculations of ion-ion recombination rate constants, a classical trajectory simulation technique (published as Roy et al. J. Chem. Phys. 162(9), 094104 (2023)) that uses quaternions to represent orientation of non-spherical particles (ions or aerosol particles) was developed to simulate the recombination of diatomic or more generally, polyatomic molecules. Finally, several other ion pairs such as Ne + – Cl - , Kr + – Cl - , were explored using the developed semi-classical trajectory simulations to understand various challenges in tackling electronic structure calculations. Using empirical approaches to parameterize the electron transfer radius, trajectory simulations were also used to probe the effect of ion number density on MN rate constant.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Design and Analysis of High Heat Flux Plasma-Facing Components for NSTX Upgrade

The National Spherical Tokamak Experiment (NSTX) upgrade (NSTX-U) requirements lead to enhanced heat loads on plasma-facing components (PFCs) especially in the divertor regions, where normal heat flux density can reach up to 8 MW/m 2 . For these high heat flux (HHF) regions, the PFCs were redesigned, to use castellations which relieved the thermal stresses associated with high incident heat flux. Another design feature of HHF PFCs is the absence of front face mounting holes which create localized areas of high temperature and thermal stress concentrations. Optimized shaping of the front face of the HHF PFCs eliminates regions where the front face is perpendicular to the heat flux direction during normal helicity operation and spreads the heat load. A unique mechanism was designed to connect PFC tiles to the NSTX-U center stack casing using locking features accessible from the low heat flux regions. Isotropic graphite was selected as the HHF PFC tile material. Initial tile design parameters were accessed using analytical expressions for pulsed heat flux loading. A working prototype of the locking mechanism was created during the initial stages of the design to prove the concept performance. This article presents an overview of the divertor HHF PFC design and the results of the thermal and structural analyses performed using ANSYS software. The results of the analyses cover normal operating conditions and disruptions which impose electromagnetic (EM) loads from eddy and halo currents. The 3-D, transient, nonlinear analyses took into account the temperature-dependent properties of the materials, friction interfaces between the parts, and variable electric properties of the parts and interfaces. The results confirm that the HHF PFC tiles remain within the allowable limits for the loads defined by the NSTX-U Recovery Project. In addition, tolerance stack up analyses were performed to ensure tile performance in the worst possible assembly configuration. Finally, the design process was completed successfully, and the NSTX HHF PFC tiles are currently in the production phase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗