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At least 217 records · Page 12

InversionNet3D: Efficient and Scalable Learning for 3-D Full-Waveform Inversion

Seismic full-waveform inversion (FWI) techniques aim to find a high-resolution subsurface geophysical model provided with waveform data. Some recent effort in data-driven FWI has shown some encouraging results in obtaining 2-D velocity maps. However, due to high computational complexity and large memory consumption, the reconstruction of 3-D high-resolution velocity maps via deep networks is still a great challenge. Here, in this article, we present InversionNet3D (InvNet3D), an efficient and scalable encoder–decoder network for 3-D FWI. The proposed method employs group convolution in the encoder to establish an effective hierarchy for learning information from multiple sources while cutting down unnecessary parameters and operations at the same time. The introduction of invertible layers further reduces the memory consumption of intermediate features during training and, thus, enables the development of deeper networks with more layers and higher capacity as required by different application scenarios. Experiments on the 3-D Kimberlina dataset demonstrate that InvNet3D achieves state-of-the-art reconstruction performance with lower computational cost and lower memory footprint compared to the baseline.

58 GEOSCIENCES↗

Integrated modeling of boron powder injection for real-time plasma-facing component conditioning

An integrated modeling framework for investigating the application of solid boron (B) powder injection for real-time surface conditioning of plasma-facing components (PFCs) in tokamak environments is presented. Utilizing the DIII-D impurity powder dropper (IPD) setup, this study simulates B powder injection scenarios ranging from milligrams to tens of milligrams per second, corresponding to boron flux rates of 10 20 –10 21 B/s in standard L-mode conditions. The comprehensive modeling approach combines EMC3-EIRENE for simulating the deuterium plasma background and the Dust Injection Simulator (DIS) for the ablation and transport of the boron powder particles. EMC3 trace impurity fluid modeling results show substantial boron transport to the inboard lower divertor, predominantly influenced by the main ion plasma flow. The dependency on powder particle size (5-250 µm) was found to be insignificant for the scenario considered. The effects of erosion and redeposition were considered to reconcile the discrepancies with experimental observations, which saw substantial deposition on the outer divertor plasma-facing components. For this purpose, the WallDYN3D code was updated to include boron sources within the plasma domain and integrated into the modeling framework. The mixed-material migration modeling shows evolving boron deposition patterns, suggesting the formation of mixed B-C layers or predominantly B coverage depending on the powder mass flow rate. While the modeling outcomes at lower B injection rates tend to align with DIII-D experimental observations, the prediction of near-pure boron layers at higher rates has yet to be experimentally verified in the carbon environment of the DIII-D tokamak. The extensive reach of boron layers found in the modeling suggests the need for modeling that encompasses the entire wall geometry for more accurate experimental correlations. This integrated approach sets a precedent for analyzing and applying real-time in-situ boron coating techniques in advanced tokamak scenarios, potentially extendable to ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A study of convective core overshooting as a function of stellar mass based on two-dimensional hydrodynamical simulations

ABSTRACT We perform two-dimensional (2D) numerical simulations of core convection for zero-age main-sequence stars covering a mass range from 3 to 20 M⊙. The simulations are performed with the fully compressible time-implicit code music. We study the efficiency of overshooting, which describes the ballistic process of convective flows crossing a convective boundary, as a function of stellar mass and luminosity. We also study the impact of artificially increasing the stellar luminosity for 3 M⊙ models. The simulations cover hundreds to thousands of convective turnover time-scales. Applying the framework of extreme plume events previously developed for convective envelopes, we derive overshooting lengths as a function of stellar masses. We find that the overshooting distance (dov) scales with the stellar luminosity (L) and the convective core radius (rconv). We derive a scaling law $d_{\rm ov} \propto L^{1/3} r_{\rm conv}^{1/2}$, which is implemented in a one-dimensional stellar evolution code and the resulting stellar models are compared to observations. The scaling predicts values for the overshooting distance that significantly increase with stellar mass, in qualitative agreement with observations. Quantitatively, however, the predicted values are underestimated for masses ≳10 M⊙. Our 2D simulations show the formation of a nearly adiabatic layer just above the Schwarzschild boundary of the convective core, as exhibited in recent three-dimensional simulations of convection. The most luminous models show a growth in size with time of the nearly adiabatic layer. This growth seems to slow down as the upper edge of the nearly adiabatic layer gets closer to the maximum overshooting length and as the simulation time exceeds the typical thermal diffusive time-scale in the overshooting layer.

79 ASTRONOMY AND ASTROPHYSICS↗

Similarities and differences between nickelate and cuprate films grown on a SrTiO 3 substrate

The recent discovery of superconductivity in Sr-doped NdNiO 2 films grown on SrTiO 3 started a novel field within unconventional superconductivity. Therefore, to understand the similarities and differences between nickelate and cuprate layers on the same SrTiO 3 substrate, here based on the density functional theory we have systematically investigated the structural, electronic, and magnetic properties of NdNiO 2 / SrTiO 3 and CaCuO 2 / SrTiO 3 systems. Our results revealed a strong lattice reconstruction in the case of NdNiO 2 / SrTiO 3 , resulting in a polar film, with the surface and interfacial NiO 2 layers presenting opposite displacements. To avoid the “polar catastrophe,” the NiO 2 surface to the vacuum reconstructs as well. However, for CaCuO 2 / SrTiO 3 , the distortions of those same two CuO 2 layers were in the same direction. In addition, we found this distortion to be approximately independent of the studied range of film thickness for the nickelate films. Furthermore, we also observed a two-dimensional electron gas at the interface between NdNiO 2 and SrTiO 3 , caused by the polar discontinuity, in agreement with recent literature. For NdNiO 2 / SrTiO 3 the two-dimensional electron gas extends over several layers, while for CaCuO 2 / SrTiO 3 this electronic rearrangement is very localized at the interface between CaCuO 2 and SrTiO 3 . The electronic reconstruction found at the interface involves a strong occupation of the Ti 3 d x y state. In both cases, there is a significant electronic charge transfer from the surface Ni or Cu layers to the Ti interface layer. The interfacial Ni and Cu layers are hole and electron doped, respectively. By introducing magnetism and electronic correlation, we observed that the d 3 z 2 - r 2 orbital of Ni becomes itinerant while the same orbital for Cu remains doubly occupied, establishing a clear two- vs one-orbital active framework for the description of these systems. Furthermore, we also observed a strong magnetic reconstruction at the NdNiO 2 surface to vacuum layer where magnetism is basically suppressed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

First-principles study of hydrogen behavior near W/WC interfaces

Hydrogen (H) solution, migration, and binding to vacancies near the tungsten/tungsten carbide (W/WC) interfaces based on hcp WC or bcc W (W/WCb and Wb/WC) have been studied by first-principles simulations to provide insights into the effect of C on H behavior in W exposed to C deposition in fusion reactors. The H behavior near the W/WC interfaces is related to the tensile or compressive strain due to the lattice match and interfacial effects. Near the W/WCb interface, the H solution energy in hcp WC increases approaching the interface, while it decreases from the W side to the interface. The configuration change of the W slab significantly decreases the H solution energy but has only a modest effect on the H migration energy barrier in comparison with the values in bcc W. The interface enhances the H binding to vacancies in WC layers. Both the interface and configuration adjustment of the W slab reduce the H binding to vacancies on the W side of the interface. Near the Wb/WC interface, H solution energies in both WC and W slabs weakly decrease approaching the interface. The configuration change of the WC slab significantly increases the H solution energy and binding energy to vacancies but decreases the H migration energy barrier in comparison with the values in hcp WC. The H energetics near the W/WC interfaces indicate the likelihood of H localization and diffusion in the W side of the interface, rather than diffusing through the interface into WC layers.

Yang, L. (ORCID:0000000322166071)↗

In-situ coating of silicon-rich films on tokamak plasma-facing components with real-time Si material injection

Abstract Experiments have been conducted in the DIII-D tokamak to explore the in-situ growth of silicon-rich layers as a potential technique for real-time replenishment of surface coatings on plasma-facing components (PFCs) during steady-state long-pulse reactor operation. Silicon (Si) pellets of 1 mm diameter were injected into low- and high-confinement (L-mode and H-mode) plasma discharges with densities ranging from 3.9– 7.5 × 10 19 m −3 and input powers ranging from 5.5 to 9 MW. The small Si pellets were delivered with the impurity granule injector at frequencies ranging from 4 to 16 Hz corresponding to mass flow rates of 5–19 mg s −1 (1– 4.2 × 10 20 Si s −1 ) at cumulative amounts of up to 34 mg of Si per five-second discharge. Graphite samples were exposed to the scrape-off layer and private flux region plasmas through the divertor material evaluation system to evaluate the Si deposition on the divertor targets. The Si II emission at the sample correlates with silicon injection and suggests net surface Si-deposition in measurable amounts. Post-mortem analysis showed Si-rich coatings containing silicon oxides, of which SiO 2 is the dominant component. No evidence of SiC was found, which is attributed to low divertor surface temperatures. The in-situ and ex-situ analysis found that Si-rich coatings of at least 0.4–1.2 nm thickness have been deposited at 0.4–0.7 nm s −1 . The technique is estimated to coat a surface area of at least 0.94 m 2 on the outer divertor. These results demonstrate the potential of using real-time material injection to form Si-enriched layers on divertor PFCs during reactor operation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Asteroseismological analysis of the polluted ZZ Ceti star G 29 – 38 with TESS

G29 – 38 (TIC 422526868) is one of the brightest (V = 13.1) and closest (d = 17.51 pc) pulsating white dwarfs with a hydrogen-rich atmosphere (DAV/ZZ Ceti class). It was observed by the TESS spacecraft in sectors 42 and 56. The atmosphere of G 29 – 38 is polluted by heavy elements that are expected to sink out of visible layers on short time-scales. Here, the photometric TESS data set spans ~51 d in total, and from this, we identified 56 significant pulsation frequencies, that include rotational frequency multiplets. In addition, we identified 30 combination frequencies in each sector. The oscillation frequencies that we found are associated with g-mode pulsations, with periods spanning from ~ 260 to ~ 1400 s. We identified rotational frequency triplets with a mean separation δν ℓ = 1 of 4.67 μHz and a quintuplet with a mean separation δν ℓ = 2 of 6.67 μHz, from which we estimated a rotation period of about 1.35 ± 0.1 d. We determined a constant period spacing of 41.20 s for ℓ = 1 modes and 22.58 s for ℓ = 2 modes. We performed period-to-period fit analyses and found an asteroseismological model with M * /M ⊙ = 0.632 ± 0.03, K, and log g = 8.048 ± 0.005 (with a hydrogen envelope mass of M H ~ 5.6 × 10 –5 M * ), in good agreement with the values derived from spectroscopy. We obtained an asteroseismic distance of 17.54 pc, which is in excellent agreement with that provided by Gaia (17.51 pc).

79 ASTRONOMY AND ASTROPHYSICS↗

Insights into the Assembly and Conformation of Nanoparticle Organic Hybrid Materials (NOHMs) in Solution with Varying Grafting Type

Recently, nanoparticle organic hybrid materials (NOHMs) have been considered promising electrolytes for energy storage applications due to their unique combination of properties, which include high thermal stability, negligible vapor pressure, and easy synthesis. However, the structural features of NOHMs in electrochemical systems are not well understood. Hence, we investigate the impact of grafting type (ionic vs covalent) on the structure and performance of NOHMs that consist of a silica core and grafted HPE polymer (Jeffamine M2070) in aqueous solution with and without the presence of the supporting electrolyte (0.1 M KHCO 3 ) using small-angle neutron scattering. Careful analyses of the results indicate that even at low grafting density (0.8 chains nm –2 ) and concentration (1–3 wt %), ionic NOHMs solutions contain a free polymer that may interact with the grafted polymer, altering the assembly of NOHMs in solution. Our investigation also elucidates that the covalent NOHM solutions consist of both aggregated and dispersed NOHMs in the solution. Moreover, the addition of the supporting electrolyte affects the assembly and structure of the polymer in the ionic NOHMs solution significantly, whereas only a slight change in the conformation of the grafted polymer is observed for covalent NOHMs. These conformational changes alter the performance of the NOHMs solution, resulting in a dramatic change in viscosity. Careful analysis shows that this significant alteration of solution viscosity in the ionic NOHMs can be traced back to the presence of the free polymer that interacts with the grafted layer and the attenuation of this interaction between the free and grafted polymers with the addition of salt. Furthermore, these studies elucidate the impact of grafting type on the overall structure, assembly, and performance of functionalized NOHMs in aqueous solution and explicitly correlate the structure and assembly of NOHMs to their transport properties and must be considered when designing functional systems that incorporate NOHMs.

25 ENERGY STORAGE↗

In Situ Imaging of an Anisotropic Layer-by-Layer Phase Transition in Few-Layer MoTe 2

Understanding the phase transition mechanisms in two-dimensional (2D) materials is a key to precisely tailor their properties at the nanoscale. Molybdenum ditelluride (MoTe 2 ) exhibits multiple phases at room temperature, making it a promising candidate for phase-change applications. Here, we fabricate lateral 2H–T d interfaces with laser irradiation and probe their phase transitions from micro- to atomic scales with in situ heating in the transmission electron microscope (TEM). By encapsulating the MoTe 2 with graphene protection layers, we create an in situ reaction cell compatible with atomic resolution imaging. We find that the T d -to-2H phase transition initiates at phase boundaries at low temperatures (200–225 °C) and propagates anisotropically along the b-axis in a layer-by-layer fashion. We also demonstrate a fully reversible 2H-T d -2H phase transition cycle, which generates a coherent 2H lattice containing inversion domain boundaries. Furthermore, our results provide insights on fabricating 2D heterophase devices with atomically sharp and coherent interfaces.

2D materials↗

Evaluation and Applications of Multi-Instrument Boundary-Layer Thermodynamic Retrievals

Recent reports have highlighted the need for improved observations of the atmosphere boundary layer. In this study, we explore the combination of ground-based active and passive remote sensors deployed for thermodynamic profiling to analyze various boundary-layer observation strategies. Optimal-estimation retrievals of thermodynamic profiles from Atmospheric Emitted Radiance Interferometer (AERI) observed spectral radiance are compared with and without the addition of active sensor observations from a May–June 2017 observation period at the Atmospheric Radiation Measurement Southern Great Plains site. In all, three separate thermodynamic retrievals are considered here: retrievals including AERI data only, retrievals including AERI data and Vaisala water vapour differential-absorption lidar data, and retrievals including AERI data and Raman lidar data. First, the three retrievals are compared to each other and to reference radiosonde data over the full observation period to obtain a bulk understanding of their differences and characterize the impact of clouds on these retrieved profiles. These analyses show that the most significant differences are in the water vapour field, where the active sensors are better able to represent the moisture gradient in the entrainment zone near the boundary-layer top. Furthermore, we also explore how differences in retrievals may affect results of applied analyses including land–atmosphere coupling, convection indices, and severe storm environmental characterization. Overall, adding active sensors to the optimal-estimation retrieval shows some added information, particularly in the moisture field. Given the costs of such platforms, the value of that added information must be weighed for the application at hand.

54 ENVIRONMENTAL SCIENCES↗

Reversible hydrogen storage in multilayer graphane: Lattice dynamics, compressibility, and heat capacity studies

Multilayer graphane (hydride of graphite) is a crystalline hydrocarbon of composition CH, which can be synthesized from graphite and molecular hydrogen at pressures above 2GPa [V.E. Antonov et al. Carbon 100 (2016) 465]. Using X-ray diffraction, this compound was tentatively identified as the “graphane II” phase of 3D-graphane predicted by ab initio calculations [X.-D. Wen et al. PNAS 108 (2011) 6833] and consisting of layers of 2D-graphane in the “chair” conformation. When heated in a vacuum, the compound does not form any intermediate hydrocarbons and reversibly decomposes back into graphite and hydrogen at 770–920 K. In the present work, almost single-phase samples of graphite hydride and deuteride were synthesized at 7.4 GPa and 870 K. Their investigation by inelastic neutron scattering supplemented by ab initio calculations gave spectra g(E) of the phonon density of states with a gap of about 15 meV at approx. 100 meV, which is a unique identifier for the chair form of graphane. The equation of state V(P) of the hydride was studied at room temperature and hydrogen pressures up to 53 GPa by synchrotron X-ray diffraction in a diamond anvil cell. Further, the graphane II phase did not react with the surrounding hydrogen and did not undergo any phase transformations upon the compression and after heating to 1500 K at 53GPa. The high thermal and pressure stability of this exotic phase makes it an important part of the C–H system. The obtained g(E) spectra of graphite hydride and deuteride were used to calculate temperature dependences of their heat capacity. Measurements of the heat capacity at temperatures 120–673 K confirmed the good accuracy of these calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Prime factorization using quantum variational imaginary time evolution

The road to computing on quantum devices has been accelerated by the promises that come from using Shor’s algorithm to reduce the complexity of prime factorization. However, this promise hast not yet been realized due to noisy qubits and lack of robust error correction schemes. Here we explore a promising, alternative method for prime factorization that uses well-established techniques from variational imaginary time evolution. We create a Hamiltonian whose ground state encodes the solution to the problem and use variational techniques to evolve a state iteratively towards these prime factors. We show that the number of circuits evaluated in each iteration scales as \(O(n^{5}d)\) , where n is the bit-length of the number to be factorized and d is the depth of the circuit. We use a single layer of entangling gates to factorize 36 numbers represented using 7, 8, and 9-qubit Hamiltonians. We also verify the method’s performance by implementing it on the IBMQ Lima hardware to factorize 55, 65, 77 and 91 which are greater than the largest number (21) to have been factorized on IBMQ hardware.

97 MATHEMATICS AND COMPUTING↗

A knock-on deuteron imager for measurements of fuel and hotspot asymmetry in direct-drive inertial confinement fusion implosions (invited)

A knock-on deuteron imager (KoDI) has been implemented to measure the fuel and hotspot asymmetry of cryogenic inertial confinement fusion implosions on OMEGA. Energetic neutrons produced by D–T fusion elastically scatter (“knock on”) deuterons from the fuel layer with a probability that depends on ρR. Deuterons above 10 MeV are produced by near-forward scattering, and imaging them is equivalent to time-integrated neutron imaging of the hotspot. Deuterons below 6 MeV are produced by a combination of side scattering and ranging in the fuel, and encode information about the spatial distribution of the dense fuel. Here, the KoDI instrument consists of a multi-penumbral aperture positioned 10–20 cm from the implosion using a ten-inch manipulator and a detector pack at 350 cm from the implosion to record penumbral images with magnification of up to 35×. Range filters and the intrinsic properties of CR-39 are used to distinguish different charged-particle images by energy along the same line of sight. Image plates fielded behind the CR-39 record a 10 keV x-ray image using the same aperture. A maximum-likelihood reconstruction algorithm has been implemented to infer the source from the projected penumbral images. The effects of scattering and aperture charging on the instrument point-spread function are assessed. Synthetic data are used to validate the reconstruction algorithm and assess an appropriate termination criterion. Significant aperture charging has been observed in the initial experimental dataset, and increases with aperture distance from the implosion, consistent with a simple model of charging by laser-driven EMP.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of an integrated core–edge scenario using the super H-mode

An optimized pedestal regime called the super-H (SH) mode is leveraged to couple a fusion relevant core plasma with a high density scrape-off layer appropriate for realistic reactor power exhaust solutions. Recent DIII-D experiments have expanded the operating space of the SH regime using advanced control algorithms and investigated optimization of impurity seeding, deuterium gas puffing, and 3D magnetic perturbations. Simultaneous real-time control of the pedestal density and radiated power with in-vessel coils and nitrogen seeding enable optimal coupled divertor and pedestal conditions. Four case studies are analysed with varied levels of radiated power in the divertor volume ranging from 0 (no seeding) to 8.5 MW radiated from carbon and nitrogen emission. Plasmas with a 4.5 MW radiated power target establish a radiative mantle, leading to divertor temperatures of ~16 eV while maintaining SH-mode, and with only marginal impact on the pedestal and core performance. Increased levels of N 2 seeding with a 7.5 MW radiated power target facilitate detachment onset and divertor temperatures <5 eV, with no degradation in stored energy and the operational point remaining inside the SH-mode channel for $ > 2.5{\tau }_{\text{E}}$. Finally, a 8.5 MW radiated power target leads to partial detachment, which is so far associated with the loss of access to SH-mode pedestal conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Big Hill Geomechanical Analysis Using M-D Viscoplastic Material Model

The integrity of wellbores at the interbed between the caprock and salt is a serious concern in the Big Hill site. For the remediation and life extension of wellbores, more accurate predictions from the global model are needed. The Big Hill global model is improved using the M-D viscoplastic contact surface model and the mesh containing the interbed layer with contact surfaces between the salt and caprock layers, and fault blocks in overburden and caprock layers. The model calibration has been performed based on the cavern volumetric closures obtained from the Caveman calculations. The results agree well from 1991 to the early 2000s. The difference starts to widen after that, it might be because of frequent fluid movement and raw water injection. Therefore, the predictions from this improved model could be used to examine the structural integrity of caverns in Big Hill salt dome.

42 ENGINEERING↗

Combined Influence of Rotation and Scrape-Off Layer Drifts on Recycling Asymmetries in Tokamak Plasmas

Coupled 2D fluid-kinetic simulations of a DIII-D high confinement tokamak plasma show that plasma rotation coupled with drift effects near the plasma edge play a significant role in the creation of the observed poloidal distribution of neutrals. It is observed that including either drift or rotation effects enhances particle flux at the inner target in the case of ion 𝐵×∇𝐵 drift toward the 𝑋-point. However, the particle flux asymmetry is significantly higher with the combination of drifts and rotation than either effect alone. The heightened particle flux asymmetry allows for improved simulation of the strong in-out asymmetry of the Lyman-𝛼 brightness profiles measured in the experiment. Enhancement of radial transport of parallel momentum changes the upstream scrape-off layer flow pattern, increasing the fraction of deuterium flux that reaches the inboard divertor entrance while lowering that which arrives at the outboard. In conclusion, this Letter indicates that by combining drifts, rotation, and viscous coupling, existing boundary plasma models can achieve a satisfactory agreement with experimentally measured neutral asymmetries.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗