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139 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Numerical electromagnetic frequency domain analysis with discrete exterior calculus

In this paper, we perform a numerical analysis in frequency domain for various electromagnetic problems based on discrete exterior calculus (DEC) with an arbitrary 2-D triangular or 3-D tetrahedral mesh. We formulate the governing equations in terms of DEC for 3-D and 2-D inhomogeneous structures, and also show that the charge continuity relation is naturally satisfied. Then we introduce a general construction for signed dual volume to incorporate material information and take into account the case when circumcenters fall outside triangles or tetrahedrons, which may lead to negative dual volume without Delaunay triangulation. Then we examine the boundary terms induced by the dual mesh and provide a systematical treatment of various boundary conditions, including perfect magnetic conductor (PMC), perfect electric conductor (PEC), Dirichlet, periodic, and absorbing boundary conditions (ABC) within this method. An excellent agreement is achieved through the numerical calculation of several problems, including homogeneous waveguides, microstructured fibers, photonic crystals, scattering by a 2-D PEC, and resonant cavities. - Highlights: • The formulation of 2D and 3D electromagnetic equations with DEC are presented. • Characteristic Hodge stars are constructed without well-centered triangulation or Delaunay triangulation. • Systematical treatment of various boundary conditions, including PMC, PEC, periodic, and absorbing boundary conditions. • Switching between E to H field can change PEC from essential boundary condition to natural boundary condition. • Quality factor of an open dielectric sphere is considered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Candidate spin-liquid ground state in CsNdSe 2 with an effective spin-1/2 triangular lattice

Rare-earth-based triangular lattice materials are extremely attractive for studying unconventional magnetism. Here, we report the magnetic properties of layered CsNdSe 2 based on direct current (DC) and alternating current (AC) susceptibility measurements down to 0.04 K. While the AC susceptibility at the zero DC field shows a broad hump below 0.5 K, there is no sign of any long-range magnetic ordering. Quantitative analysis of the DC magnetic susceptibility gives the negative Curie-Weiss (CW) temperature θ CW < 0 in all directions, indicating antiferromagnetic interaction between Nd ions. Of particular interest is the low temperature magnetic susceptibility, which reflects the effective spin-1/2 state with $\theta^a_{\text {cw}}/\theta^c_{\text {cw}}$ > 3. The estimated exchange interactions are J a /k B = 1.42 K (in-plane) and J c /k B = 0.44 K (out-of-plane), pointing to the anisotropic magnetism. First-principles calculations that include spin-orbit coupling and Coulomb correlations reveal multiple states with zero net magnetization for CsNdSe 2 . Both experiment and simulation strongly suggest CsNdSe 2 has the spin liquid ground state with effective spin-1/2. Application of a magnetic field can induce long-range antiferromagnetic ordering with the maximum transition temperature around 0.3 K, in further support of the zero-field spin liquid state.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ionic Control over Ferroelectricity in 2D Layered van der Waals Capacitors

The van der Waals layered material CuInP 2 S 6 features interesting functional behavior, including the existence of four uniaxial polarization states, polarization reversal against the electric field through Cu ion migration, a negative-capacitance regime, and reversible extraction of Cu ions. At the heart of these characteristics lies the high mobility of Cu ions, which also determines the spontaneous polarization. Therefore, Cu migration across the lattice results in unusual ferroelectric behavior. Here, we demonstrate how the interplay of polar and ionic properties provides a path to ionically controlled ferroelectric behavior, achieved by applying selected DC voltage pulses and subsequently probing ferroelectric switching during fast triangular voltage sweeps. Using current measurements and theoretical calculations, we observe that increasing DC pulse duration results in higher ionic currents, the buildup of an internal electric field that shifts polarization loops, and an increase in total switchable polarization by ~50% due to the existence of a high polarization phase which is stabilized by the internal electric field. Apart from tuning ferroelectric behavior by selected square pulses, hysteretic polarization switching can even be entirely deactivated and reactivated, resulting in three-state systems where polarization switching is either inhibited or can be performed in two different directions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The effect of triangularity on predicted pedestals for the CFETR

In this work, the dominant unstable magnetohydrodynamic mode and its stable region in the pedestal of the China Fusion Engineering Test Reactor are studied by numerical modeling with the peeling-ballooning theory over a wide range of triangularities (δ) and collisionalities (υ*). A new accessible stable region is found at δ<−0.1 for large βN,ped and υ*. This new stable region expands toward lower βN,ped and υ* with decreasing δ and is totally covered by the peeling unstable region with δ=−0.5 because of the increasing trapped particle fraction (ft,eff). The sensitivity of this new stable region to the kinetic ballooning mode constraint and elongation is studied. For negative and low δ<0.1, the boundary of the first stable region is determined from the ballooning mode. For δ>0.1, the peeling mode becomes dominant as the boundary approaches low s with low υ*, while the ballooning mode is still dominant at the boundary with high υ*. When δ increases beyond 0.46, the first stable region is expanded, and access to the second stable region of the ballooning mode opens up. The entire newly connected region of the first and second stable regions keeps expanding with further increases in δ until δ=0.6. Beyond this value, the ballooning mode becomes more unstable with increasing δ, while the peeling mode is approximately unchanged with increasing δ in this range. The change in the dominant mode and the stable region with increasing δ can be explained by the trade-off between the stabilization effect from the deeper poloidal magnetic well and destabilization due to the enlarged drive term.

Physics↗
DOE OSTI2015

High internal inductance for steady-state operation in ITER and a reactor

Increased confinement and ideal stability limits at relatively high values of the internal inductance (ℓ i ) have enabled an attractive scenario for steady-state tokamak operation to be demonstrated in DIII-D. We achieved normalized plasma pressure in the range appropriate for a reactor in high elongation and triangularity double-null divertor discharges with beta(N) approximate to 5 at ℓ i approximate to 1.3, near the ideal n = 1 kink stability limit calculated without the effect of a stabilizing vacuum vessel wall, with the ideal-wall limit still higher at β N > 5.5. Moreover, confinement is above the H-mode level with H 98(y,H- 2) approximate to 1.8. At q 95 approximate to 7.5, the current is overdriven, with bootstrap current fraction f BS approximate to 0.8, noninductive current fraction f NI > 1 and negative surface voltage. For ITER (which has a single-null divertor shape), operation at ℓ i approximate to 1 is a promising option with f BS approximate to 0.5 and the remaining current driven externally near the axis where the electron cyclotron current drive efficiency is high. This scenario has been tested in the ITER shape in DIII-D at q 95 = 4.8, so far reaching f NI = 0.7 and f BS = 0.4 at beta N approximate to 3.5 with performance appropriate for the ITER Q=5 mission, H 89 beta N /q 2 95 approximate to 0.3. Finally, modeling studies explored how increased current drive power for DIII-D could be applied to maintain a stationary, fully noninductive high ℓ i discharge. Stable solutions in the double-null shape are found without the vacuum vessel wall at beta N = 4, ℓ i = 1.07 and f BS = 0.5, and at beta N = 5 with the vacuum vessel wall.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Hamming distance and the onset of quantum criticality

Simulating models for quantum correlated matter unveils the inherent limitations of deterministic classical computations. In particular, in the case of quantum Monte Carlo methods, this is manifested by the emergence of negative weight configurations in the sampling, that is, the sign problem (SP). There have been several recent calculations which exploit the SP to locate underlying critical behavior. Here, utilizing a metric that quantifies phase-space ergodicity in such sampling, the Hamming distance, we suggest a significant advance on these ideas to extract the location of quantum critical points in various fermionic models, in spite of the presence of a severe SP. Combined with other methods, exact diagonalization in our case, it elucidates both the nature of the different phases as well as their location, as we demonstrate explicitly for the honeycomb and triangular Hubbard models, in both their U(1) and SU(2) forms. Furthermore, our approach exemplifies a possible path allowing the exploration of the phase diagram of a variety of fermionic quantum models hitherto considered to be impractical via quantum Monte Carlo simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Decoupling Lattice and Magnetic Instabilities in Frustrated CuMnO2

The AMnO 2 delafossites (A = Na, Cu) are model frustrated antiferromagnets, with triangular layers of Mn 3+ spins. At low temperatures (T N = 65 K), a C2/m → P$\bar1$ transition is found in CuMnO 2 , which breaks frustration and establishes magnetic order. In contrast to this clean transition, A = Na only shows short-range distortions at T N . Here, we report a systematic crystallographic, spectroscopic, and theoretical investigation of CuMnO 2 . We show that, even in stoichiometric samples, nonzero anisotropic Cu displacements coexist with magnetic order. Using X-ray/neutron diffraction and Raman scattering, we show that high pressures act to decouple these degrees of freedom. This manifests as an isostuctural phase transition at ~10 GPa, with a reversible collapse of the c-axis. This is shown to be the high-pressure analogue of the c-axis negative thermal expansion seen at ambient pressure. Density functional theory (DFT) simulations confirm that dynamical instabilities of the Cu + cations and edge-shared MnO 6 layers are intertwined at ambient pressure. However, high pressure selectively activates the former, before an eventual predicted reemergence of magnetism at the highest pressures. Our results show that the lattice dynamics and local structure of CuMnO 2 are quantitatively different from nonmagnetic Cu delafossites and raise questions about the role of intrinsic inhomogeneity in frustrated antiferromagnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Nanosized helical magnetic domains in strongly frustrated Fe 3 PO 4 O 3

Fe 3 PO 4 O 3 forms a noncentrosymmetric lattice structure (space group R3m) comprising triangular motifs of Fe 3+ coupled by strong antiferromagnetic interactions ( | Θ CW | > 900 K). Neutron diffraction from polycrystalline samples shows that strong frustration eventually gives way to an ordered helical incommensurate structure below T N =163 K, with the helical axis in the hexagonal ab plane and a modulation length to ~86 Å. The magnetic structure consists of an unusual needlelike correlation volume that extends past 900 Å along the hexagonal c axis but is limited to ~70 Å in the a b plane, despite the three-dimensional nature of the magnetic sublattice topology. The small in-plane correlation length, which persists to at least T = T N /40 , indicates a robust blocking of long-range order of the helical magnetic structure, and therefore stable domain walls, or other defect spin textures, must be abundant in Fe 3 PO 4 O 3 . Temperature-dependent neutron powder diffraction reveals small negative thermal expansion below T N . No change in lattice symmetry is observed on cooling through T N , as revealed by high-resolution synchrotron x-ray diffraction. The previously reported reduced moment of the Fe 3+ ions (S = 5/2), μ ~ 4.2 μ B , is confirmed here through magnetization studies of a magnetically diluted solid solution series of compounds, Fe (3–x) Ga x PO 4 O 3 , and is consistent with the refined magnetic moment from neutron diffraction 4.14(2) μ B . Here, we attribute the reduced moment to a modified spin density distribution arising from ligand charge transfer in this insulating oxide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Polyhexatic and polycrystalline states of skyrmion lattices

We report Monte Carlo studies of lattices of up to 10 5 skyrmions treated as particles with negative core energy and repulsive interaction obtained from a microscopic spin model. Temperature dependence of translational and orientational correlations has been investigated for different experimental protocols and initial conditions. Cooling the skyrmion liquid from a fully disordered high-temperature state results in the formation of a skyrmion polycrystal. A perfect skyrmion lattice prepared at T = 0, on raising temperature undergoes a first-order melting transition into a polyhexatic state that consists of large orientationally ordered domains of fluctuating shape. On the further increasing temperature, these domains decrease in size, leading to a fully disordered liquid of skyrmions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Spacer Grid and Mixing Vanes Effects Study on Two-phase Flow Using Bubble Tracking Simulations

In Light Water Reactor (LWR) cores, the nuclear fuel rods are arranged together as rod bundles in a triangular or square pattern. The fuel rod bundles are supported by the spacer grids with mixing vanes. An understanding of spacer grid and mixing vanes effect is important since it has a direct impact on the turbulence structure in the flow and the heat removal efficiency from the fuel rod surface. Although a considerable amount of literature has been published on the experimental investigation of spacer grid and mixing vanes effect, the measurements were mainly focused on single-phase flow. The influence of spacer grid and mixing vanes on two-phase flow is yet to be fully understood. Some preliminary research efforts have been invested in nuclear community. For example, Wheeler et al. experimentally studied the effects of spacer grid in air-water two-phase flow. Although mixing vanes are not considered, they presented interesting results of time-averaged two-phase flow quantities at upstream and downstream locations of the spacer grid. Over the past decades, the rapid development of High-Performance Computing (HPC) is allowing for the increasingly larger-scale high-fidelity simulations. Thanks to this favorable historical trend, Direct Numerical Simulation (DNS), integrated with Interface Tracking Methods (ITM), has been emerging as a valuable tool to complement and expand our ability to understand the two-phase flow phenomenon. Meanwhile, in order to make best use of the large-scale two-phase flow simulations, advanced data analysis techniques are being developed, as they enable the extraction of detailed parameters about individual bubble behavior. The level set ITM is utilized in our DNS flow solver, which makes use of a signed distance field. The gas-liquid interface is modeled by the zero level set. The level set method can be readily used to distinguish different phases based on the sign of corresponding level set value (e.g. the sign is positive in the liquid phase while negative in the gas phase.). However, the traditional level set approach is not able to collect calculated values and associate with specific bubbles when multiple (even thousands of) bubbles present in the simulations of two-phase flow. This drawback hinders the collection of useful bubble information, which can give us valuable insights about bubbly flows. For example, how the different local fluid conditions could affect bubble interfacial forces, bubble deformation level, and eventually the bubble distribution throughout the whole domain. A bubble tracking methodology has been developed to address the drawbacks and improve the data collection efficiency of level set based two-phase flow simulations. In the present work, a single Pressurized Water Reactor (PWR) subchannel with reduced size spacer grid and mixing vanes is chosen as the computational domain. The springs and dimples of the spacer grid are not represented for simplicity in the present investigation. The bubble tracking methodology is applied to the simulations of two-phase bubbly flow through spacer grid and mixing vanes region. In the intended simulation, the liquid turbulence will be fully resolved by DNS while the two-phase behaviors are captured by level set ITM. Bubble tracking data are to be processed to investigate the spacer grid and mixing vanes effect on two-phase bubbly flow. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Fusion Nuclear Science Facilities and Pilot Plants Based on the Spherical Tokamak

A Fusion Nuclear Science Facility (FNSF) could play an important role in the development of fusion energy by providing the nuclear environment needed to develop fusion materials and components. The spherical torus/tokamak (ST) is a leading candidate for an FNSF due to its potentially high neutron wall loading and modular configuration. A key consideration for the choice of FNSF configuration is the range of achievable missions as a function of device size. Possible missions include: providing high neutron wall loading and fluence, demonstrating tritium self-sufficiency, and demonstrating electrical self-sufficiency. All of these missions must also be compatible with a viable divertor, first-wall, and blanket solution. ST-FNSF configurations have been developed simultaneously incorporating for the first time: (1) a blanket system capable of tritium breeding ratio TBR approximately 1, (2) a poloidal field coil set supporting high elongation and triangularity for a range of internal inductance and normalized beta values consistent with NSTX/NSTX-U previous/planned operation, (3) a long-legged divertor analogous to the MAST-U divertor which substantially reduces projected peak divertor heat-flux and has all outboard poloidal field coils outside the vacuum chamber and superconducting to reduce power consumption, and (4) a vertical maintenance scheme in which blanket structures and the centerstack can be removed independently. Progress in these ST-FNSF missions vs. configuration studies including dependence on plasma major radius R0 for a range 1m to 2.2m are described. In particular, it is found the threshold major radius for TBR = 1 is R0 greater than or equal to 1.7m, and a smaller R0=1m ST device has TBR approximately 0.9 which is below unity but substantially reduces T consumption relative to not breeding. Calculations of neutral beam heating and current drive for non-inductive ramp-up and sustainment are described. An A=2, R0=3m device incorporating high-temperature superconductor toroidal field coil magnets capable of high neutron fluence and both tritium and electrical self-sufficiency is also presented following systematic aspect ratio studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Fusion nuclear science facilities and pilot plants based on the spherical tokamak

Here, a fusion nuclear science facility (FNSF) could play an important role in the development of fusion energy by providing the nuclear environment needed to develop fusion materials and components. The spherical torus/tokamak (ST) is a leading candidate for an FNSF due to its potentially high neutron wall loading and modular configuration. A key consideration for the choice of FNSF configuration is the range of achievable missions as a function of device size. Possible missions include: providing high neutron wall loading and fluence, demonstrating tritium self-sufficiency, and demonstrating electrical self-sufficiency. All of these missions must also be compatible with a viable divertor, first-wall, and blanket solution. ST-FNSF configurations have been developed simultaneously incorporating for the first time: (1) a blanket system capable of tritium breeding ratio TBR ≈ 1, (2) a poloidal field coil set supporting high elongation and triangularity for a range of internal inductance and normalized beta values consistent with NSTX/NSTX-U previous/planned operation, (3) a long-legged divertor analogous to the MAST-U divertor which substantially reduces projected peak divertor heat-flux and has all outboard poloidal field coils outside the vacuum chamber and superconducting to reduce power consumption, and (4) a vertical maintenance scheme in which blanket structures and the centerstack can be removed independently. Progress in these ST-FNSF missions versus configuration studies including dependence on plasma major radius R 0 for a range 1 m–2.2 m are described. In particular, it is found the threshold major radius for TBR = 1 is ${{R}_{0}}\geqslant 1.7$ m, and a smaller R 0 = 1 m ST device has TBR ≈ 0.9 which is below unity but substantially reduces T consumption relative to not breeding. Calculations of neutral beam heating and current drive for non-inductive ramp-up and sustainment are described. An A = 2, R = 3 m device incorporating high-temperature superconductor toroidal field coil magnets capable of high neutron fluence and both tritium and electrical self-sufficiency is also presented following systematic aspect ratio studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Dual Mechanism for Transient Capacitance Anomaly in Improper Ferroelectrics

Negative capacitance (NC) effects in ferroelectrics can potentially break fundamental limits of power dissipation known as “Boltzmann tyranny.” However, the origin of transient NC of ferroelectrics, which is attributed to two different mechanisms involving free-energy landscape and nucleation, is under intense debate. Here, we report the coexistence of transient NC and an S-shaped anomaly during the switching of ferroelectric hexagonal ferrites capacitor in an RC circuit. The early-stage NC arises from the nucleation process, while the late-stage S-shaped anomaly corresponds to a nascent NC associated with the free-energy landscape. The entire waveform can be reproduced using a hybrid model that simultaneously incorporates these two mechanisms. These results highlight the multivariable free-energy landscape of hexagonal ferrites that enables an abrupt change of the internal field and demonstrate that the two mechanisms are not mutually exclusive, resolving the long-standing debate. In conclusion, the behavior of the S-shaped anomaly also provides a pathway to extract parameters of free-energy landscape and switching dynamics.

Capacitance↗