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At least 271 records · Page 15

Ultrahigh charging of dust grains by the beam−plasma method for creating a compact neutron source

Generation of high-voltage high-current electron beams in a low-pressure (P = 0.1–1 Torr) gas discharge is studied experimentally as a function of the discharge voltage and the sort and pressure of the plasma-forming gas. The density of the plasma formed by a high-current electron beam is measured. Experiments on ultrahigh charging of targets exposed to a pulsed electron beam with an energy of up to 25 keV, an electron current density of higher than 1 A/cm{sup 2}, a pulse duration of up to 1 μs, and a repetition rate of up to 1 kHz are described. A numerical model of ultrahigh charging of dust grains exposed to a high-energy electron beam is developed. The formation of high-energy positive ions in the field of negatively charged plane and spherical targets is calculated. The calculations performed for a pulse-periodic mode demonstrate the possibility of achieving neutron yields of higher than 10{sup 6} s{sup –1} cm{sup –2} in the case of a plane target and about 10{sup 9} s{sup –1} in the case of 10{sup 3} spherical targets, each with a radius of 250 μm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effect of Phonon Drag on the Thermopower in a Parabolic Quantum Well

The theory of phonon-drag thermopower resulting from a temperature gradient in the plane of a two-dimensional electron gas layer in a parabolic quantum well is developed. The interaction mechanisms between electrons and acoustic phonons are considered, taking into account potential screening of the interaction. It is found that the effect of electron drag by phonons makes a significant contribution to the thermopower of the two-dimensional electron gas. It is shown that the consideration of screening has a significant effect on the drag thermopower. For the temperature dependence of the thermopower in a parabolic GaAs/AlGaAs quantum well in the temperature range of 1–10 K, good agreement between the obtained theoretical results and experiments is shown.

36 MATERIALS SCIENCE↗

Earthquake Ground Motion Simulations on the Sierra High-Performance Computing System

Physics-based three-dimensional (3D) numerical simulations of earthquake ground motions provide an alternative to reliance on limited and highly scattered empirical data and models for seismic hazard assessment. We performed fully 3D earthquake ground motion simulations on the Sierra and Lassen high-performance computing (HPC) platforms at Livermore Computing. These new HPC platforms feature graphics processing unit (GPU) acceleration for improved performance. Ground motions were computed with SW4, a summation-by-parts finite difference code for anelastic wave propagation. SW4 was recently enhanced to run efficiently on GPU-accelerated platforms. We found that SW4 runs almost fifty (50) times faster in terms of node-hours on new GPU-accelerated platforms compared to conventional central processing unit (CPU) platforms with agreement of computed ground motion time-series to the full single precision which they are written. We focused on moment magnitude, M W , 7.0 earthquakes on the Hayward Fault. We were able to run three simulations resolving ground motions from static displacements (0 Hz) to frequencies of 10 Hz (wavelengths as short as 50 meters) making these Sierra calculations the highest resolution regional-scale earthquake simulations ever made for California. Results show good agreement between simulated ground motion intensities (peak ground velocity and acceleration, spectral response) and empirical models, including frequencies above 10 Hz. On Lassen we were able to run a suite of 52 M W 7.0 Hayward Fault earthquake simulations resolved 0-5 Hz for both plane-layered, one-dimensional (1D) and 3D Earth models. These simulations were used to develop a methodology for characterizing and removing systematic path and site effects which bias ground motion intensities. These simulations using the newly enhanced SW4 code allow us to run higher resolution seismic simulations with shorter run times, providing a new capability for seismic hazard and risk studies. Results were presented at scientific conferences and workshops and two publications are being prepared based on work performed in this project.

58 GEOSCIENCES↗

Material Testing of PH13-8MO H950 Steel for Xue-Wierzbicki Fracture Criterion Determination

Four tensile coupon designs of PH13-8Mo H950 steel were tested to failure using quasi-static rates to obtain data to calibrate the Xue-Wierzbicki failure model for ductile fracture. The tests recorded the force-displacement, location of the first crack, displacement to fracture, area reduction, and crack propagation path. The test method and coupon designs were adopted from Tomasz Wierzbicki’s “Calibration and evaluation of seven fracture models” report. The XueWierzbicki model predicts fracture based on accumulated equivalent plastic strain, stress triaxiality, and deviatoric state parameter. Calibrating the Xue-Wierzbicki failure model required testing four coupon designs to calculate the four free parameters in the model. The coupon designs tested a range of stress triaxialities with two axisymmetric tests, one shear test, and one plane stress test. The data obtained and presented in this report can be used to develop a Xue-Wierzbicki fracture model for PH13-8Mo H950 steel.

36 MATERIALS SCIENCE↗

XFEM Development for Modeling Crack Growth in Prototypical Welded Components

Nuclear power plant components are subjected to harsh operating environments that can lead to multiple degradation mechanisms in which fracture can play a prominent role. Predicting crack growth is important for assessing the integrity of welded components. The extended finite element method (XFEM) is an important tool for modeling such crack growth, and XFEM capabilities have been developed within the MOOSE framework. This report documents work in the MOOSE XFEM module to model fractures in three-dimensional representations of components using a topologically two-dimensional mesh to define cutting planes. Crack growth algorithms have been implemented to evolve the cutting mesh based on equations for stress corrosion cracking. Additionally, several usability and robustness improvements have been developed to enable three-dimensional fracture simulations. The cutting algorithms were demonstrated on a three-dimensional model of a prototypical reactor component undergoing stress corrosion cracking driven by idealized weld residual stresses. This is an incremental step toward using this capability to model more complex components with residual stresses computed through welding process simulations.

42 - ENGINEERING↗

Evaluation of Models and Measurements to Estimate Solar Radiation for 1-Axis Tracking Modules at NREL's SRRL: Preprint

Solar radiation reaching photovoltaic (PV) modules on a 1-axis tracking system can be measured by reference cells or thermopiles. The former is often biased due to the reflection of solar radiation by the glass cover of the PV. The uncertainty can be moderated by applying a correction factor, as a function of solar incident angle and the refractive index of the glass, to the measurement. On the other hand, solar radiation on the inclined PV panels can be computed by transposition models using global horizontal irradiance (GHI) observations from thermopiles. This study examines the models and measurements to estimate solar radiation for 1-axis tracking modules at National Renewable Energy Laboratory’s (NREL’s) Solar Radiation Research Laboratory (SRRL). The 1-minute plane-of-array (POA) irradiances in 2019 are computed using the observed GHIs and a transposition model developed by Perez et al. The POA irradiances are compared with the observation by an IMT reference cell and a Kipp & Zonen CM Pyranometer 22 (CMP22) thermopile. For SRRL’s 1-axis tracking system with the annual solar energy of 2323.9 kWh/m2, the POA irradiance is overestimated by ~70 kWh/m2 using the transposition model. This bias is reduced by more than 50% using the IMT measurements calibrated by a correction factor for a PV surface of antireflection coated glass.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Development of quantum dot materials for infrared cameras (Final CRADA Report)

The aim of this project was to develop scalable methods to produce infrared (IR) mercury telluride (HgTe) colloidal quantum dot (CQD) thin films and demonstrate their utility in a proof-of-concept monolithic SWIR focal plane array (FPA). These objectives were accomplished by scaling up the HgTe CQD synthesis, characterizing physical and electrical properties of HgTe CQDs, evaluating solution-processed coating methods for quality and efficiency, and developing a process flow to integrate HgTe CQDs with commercial-off-the-shelf silicon CMOS readout circuits by solution-processed coating to produce monolithic FPAs. The FPA is the image sensor in an infrared imaging system responsible for detecting and processing reflected or emitted light into an infrared image of the scene under observation. The quality of the image is determined by the sensitivity and resolution of the image sensor in the system. Higher resolution IR FPAs enable higher throughput in manufacturing quality assurance, wider field of view for autonomous navigation, and longer range surveillance for defense.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Growth of Large‐Sized 2D Ultrathin SnSe Crystals with In‐Plane Ferroelectricity

Abstract Tin (II) selenide (SnSe) is an emerging 2D material with many intriguing properties, such as record‐high thermoelectric figure of merit (ZT), purely in‐plane ferroelectricity, and excellent nonlinear optical properties. To explore these functional properties and related applications, a crucial step is to develop controllable routes to synthesize large‐area, ultrathin, and high‐quality SnSe crystals. Physical vapor deposition (PVD) constitutes a reliable method to synthesize 2D SnSe, however, effects of various growth parameters have not yet been systematically investigated, and current PVD‐synthesized flakes are often thick (>10 nm) with small lateral sizes (<10 µm). In this work, high‐quality 2D SnSe crystals are synthesized via low‐pressure PVD, which display in‐plane ferroelectric domains observed by piezoresponse force microscopy and polarization‐dependent reflection spectroscopy. Detailed studies regarding the roles of various parameters are further carried out, including substrate pre‐annealing, growth duration, temperature, and pressure, which enable to rationally optimize the growth and obtain 2D SnSe crystals with lateral sizes up to ≈23.0 µm and thicknesses down to ≈2.0 nm (3–4 layers). This work paves the way for the controlled growth of large‐area 2D SnSe, facilitating the future exploration of many interesting multiferroic properties and applications with atomic thickness.

2D materials↗

Modeling inter- and intra-granular dislocation transport using crystal plasticity

Here, this work presents the development of a crystal plasticity material model that incorporates both dislocation transport within grains and dislocation transfer across grain boundaries. This model has been implemented in the open-source finite element code MOOSE. In addition, a novel geometry-based criterion is developed to determine the direction of dislocation transfer across grain boundaries. The transfer criterion incorporates the geometric features of the grain boundary, such as the grain boundary plane normal, and its misorientation, which is accounted for through the orientation of the incoming and outgoing slip systems. The model is tested with several cases, including a copper single crystal, bi-crystal, and polycrystal. The development of the transfer criterion, implementation of the model, and its application to these test cases are discussed in detail.

36 MATERIALS SCIENCE↗

Making ultrastrong steel tough by grain-boundary delamination

Developing ultrahigh-strength steels that are ductile, fracture resistant, and cost effective would be attractive for a variety of structural applications. We show that improved fracture resistance in a steel with an ultrahigh yield strength of nearly 2 gigapascals can be achieved by activating delamination toughening coupled with transformation-induced plasticity. Delamination toughening associated with intensive but controlled cracking at manganese-enriched prior-austenite grain boundaries normal to the primary fracture surface dramatically improves the overall fracture resistance. As a result, fracture under plane-strain conditions is automatically transformed into a series of fracture processes in “parallel” plane-stress conditions through the thickness. The present “high-strength induced multidelamination” strategy offers a different pathway to develop engineering materials with ultrahigh strength and superior toughness at economical materials cost.

36 MATERIALS SCIENCE↗

Pressure transient analysis during CO 2 push-pull tests into faults for EGS characterization

Here, with the goal of detecting and characterizing faults and fractures in enhanced geothermal systems (EGS), a new technology involving CO 2 push-pull testing, active-source geophysical imaging, and well logging has recently been proposed. This technique takes advantage of (1) the contrasting properties of supercritical CO 2 and water which cause CO 2 to appear distinct from surrounding brine in seismic and other geophysical logging approaches, (2) the non-wetting nature of CO 2 which keeps it localized to the faults and fractures to create contrast potentially sufficient for active seismic and well-logging approaches to image faults and fracture zones at EGS sites. In this study, we evaluate the feasibility of using pressure transient monitoring during CO 2 push-pull tests to complement active seismic and wireline well logging for EGS characterization. For this purpose, we developed a 2D model of a prototypical geothermal site (Desert Peak, NV) that includes a single fault. The fault zone consists of a slip plane, fault gouge, and damage zone, and is bounded by the surrounding matrix of the country rock. Through numerical simulation using iTOUGH2, we found that the pressure transient at the monitoring wells in the fault gouge shows unique traits due to the multiphase flow conditions developed by CO 2 injection, and varies sensitively on the arrival of the CO 2 plume and the degree of CO 2 saturation. A sensitivity analysis shows the pressure transient is most sensitive to the fault gouge permeability, but also depends on multiphase flow parameters and the boundary conditions of the fault. Lastly, an inversion study reveals that the fault gouge permeability can be best estimated with the pressure transient data, whereas additional CO 2 saturation data do not improve the accuracy of the inversion significantly.

58 GEOSCIENCES↗

Understanding Water and Thermal Management in Polymer-Electrolyte Fuel Cells

The Parties developed understanding of water and thermal management in fuel cells using a detailed 1-D model for the through-plane direction, a gas-channel relation model for the flow-channel direction, and a method to account for the rib/channel direction. The model simulates and predicts the water transport phenomena occurring within the fuel-cell sandwich, including the complex interplay among the various phases. This model enables optimum designs, operating conditions, and material properties for use in commercial PEFCs for automotive applications. In addition, novel advanced diagnostic methods and submodels were developed to determine the critical properties and model parameters and explore specific phenomena (e.g., ionomer thin films).

30 DIRECT ENERGY CONVERSION↗

Well-posedness and generalized plane waves simulations of a 2D mode conversion model

Certain types of electro-magnetic waves propagating in a plasma can undergo a mode conversion process. In magnetic confinement fusion, this phenomenon is very useful to heat the plasma, since it permits to transfer the heat at or near the plasma center. This work focuses on a mathematical model of wave propagation around the mode conversion region, from both theoretical and numerical points of view. It aims at developing, for a well-posed equation, specific basis functions to study a wave mode conversion process. These basis functions, called generalized plane waves, are intrinsically based on variable coefficients. As such, they are particularly adapted to the mode conversion problem. The design of generalized plane waves for the proposed model is described in detail. Their implementation within a discontinuous Galerkin method then provides numerical simulations of the process. These first 2D simulations for this model agree with qualitative aspects studied in previous works.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Cross-Plane Acquisitions in Electrical Capacitance Volume Tomography

Electrical capacitance tomography (ECT) is a widely used imaging modality to image two-dimensional cross sections of multiphase flows. Recent developments in electrical capacitance volume tomography (ECVT) have made it possible to directly obtain volumetric images from measured data. An ECVT is instrumental for obtaining accurate phase hold up information and velocity information that are needed for the optimization of certain flow processes. However, compared to ECT, the high correlation between the measurements in ECVT exacerbates the ill-conditioning of the associated image reconstruction problem. Previous studies have suggested that neglecting mutual capacitance data between the ECVT electrodes located at cross-planes that are well separated along the sensor axis can be done without significantly affecting the reconstructed image. In addition, this may help constrain the ill-conditioning of the reconstruction problem. Here, we examine in detail and quantify the effect of reduced cross-plane acquisition strategies for optimizing the image reconstruction and constraining the ill-conditioning of typical ECVT settings.

20 FOSSIL-FUELED POWER PLANTS↗

Anisotropic Electron-Photon and Electron-Phonon Interactions in Black Phosphorus

Orthorhombic black phosphorus (BP) and other layered materials, such as gallium telluride (GaTe) and tin selenide (SnSe), stand out among two-dimensional (2D) materials owing to their anisotropic in-plane structure. This anisotropy adds a new dimension to the properties of 2D materials and stimulates the development of angle-resolved photonics and electronics. However, understanding the effect of anisotropy has remained unsatisfactory to-date, as shown by a number of inconsistencies in the recent literatures. We use angle-resolved absorption and Raman spectroscopies to investigate the role of anisotropy on the electron-photon and electron-phonon interactions in BP. We highlight a non-trivial dependence between anisotropies and flake thickness, photon and phonon energies. We show that once understood, the anisotropic optical absorption appears to be a reliable and simple way to identify the crystalline orientation of BP, which cannot be determined from Raman spectroscopy without the explicit consideration of excitation wavelength and flake thickness, as commonly used previously.

36 MATERIALS SCIENCE↗

Engineering Symmetry-Breaking Nanocrescent Arrays for Nanolasing

This paper describes a symmetry-breaking plasmonic lattice structure that can support narrow resonances as optical feedback for nanolasing. A scalable technique is developed to fabricate nanocrescent arrays with low-structural symmetry unit cells to achieve in-plane quadrupolar lattice plasmon modes. These lattice plasmons with extremely narrow linewidths preserve nonzero net dipole moments under normal excitation. Ultrafast band-edge lasing can be switched on and off by changing the polarization of the incident pump light. In conclusion, the quadrupolar lattice plasmon lasing process is simulated with a semi-quantum model and the sharp tips on the nanocrescents accelerate the lasing buildup process and enhance stimulated emission.

36 MATERIALS SCIENCE↗

Repairable and Reconfigurable Structured Liquid Circuits

The advance of printed electronics is significantly bolstered by the development of liquid-state electronics that overcome the inherent limitations in flexibility and reconfigurability of solid-state electronics. By integrating the biocompatibility and conductivity of sulfonated polyaniline (S-PANI) and phytic acid (PA) with the reconfigurability of structured liquids, highly conductive all-liquid threads are developed. The dense packing and overlap of PA/S-PANI complexes at an oil/water interface promotes in-plane electron transport, and standard four-point probe measurements of PA/S-PANI interfacial assemblies demonstrate enhanced electrical properties. Notably, the rapid jetting of the ink phase into the matrix phase allows for liquid threads to be printed, enabling the fabrication of large-scale, conductive pathways between two electrodes and liquid circuits. Upon mechanical cleavage of the liquid wires, circuits can be broken, but will easily self-repair using an electric field, making this motif useful in the design of switches as well as restoring conductive pathways in series or in parallel. In conclusion, the demonstrated flexibility and reconfigurability these PA/S-PANI wires possess hold significant promise for their practical use in the design of flexible and adaptive bioelectronics that can be repaired on demand, signifying a transformative step in the evolution of liquid electronic materials.

36 MATERIALS SCIENCE↗

Visualizing Oxidation Mechanisms in Few-Layered Black Phosphorus via In Situ Transmission Electron Microscopy

Layered two-dimensional (2D) black phosphorus (BP) exhibits novel semiconducting properties including a tunable bandgap and high electron mobility. However, the poor stability of BP in ambient environment severely limits potential for application in future electronic and optoelectronic devices. While passivation or encapsulation of BP using inert materials/polymers has emerged as a plausible solution, a detailed fundamental understanding of BP's reaction with oxygen is imperative to rationally advance its use in applications. Here, we use in situ environmental transmission electron microscopy to elucidate atomistic structural changes in mechanically exfoliated few-layered BP during exposure to varying partial pressures of oxygen. An amorphous oxide layer is seen on the actively etching BP edges, and the thickness of this layer increases with increasing oxygen partial pressure, indicating that oxidation proceeds via initial formation of amorphous P x O y species which sublime to result in the etching of the BP crystal. We observe that while few-layered BP is stable under the 80 kV electron beam (e-beam) in vacuum, the lattice oxidizes and degrades at room temperature in the presence of oxygen only in the region under the e-beam. The oxidative etch rate also increases with increasing e-beam dosage, suggesting the presence of an energy barrier for the oxidation reaction. Preferential oxidative etching along the [0 0 1] and [0 0 1] crystallographic directions is observed, in good agreement with density functional theory calculations showing favorable thermodynamic stability of the oxidized BP (0 0 $\bar{1}$) planes compared to the (1 0 0) planes. Finally, we expect the atomistic insights and fundamental understanding obtained here to aid in the development of novel approaches to integrate BP in future applications.

2D materials↗