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DOE OSTI2020

Epitaxial growth of Bi 2 Se 3 in the (0015) orientation on GaAs (001)

Here we present that materials with van der Waals bonding show exotic physics and may have applications in a variety of areas including new optoelectronic devices, spintronic devices, and as quantum materials. To date, control over the morphology and surface orientation of thin films of these materials without substrate pretreatment has been difficult. In this paper, the authors report the growth of Bi 2 Se 3 on GaAs (001) substrates. By controlling the growth conditions and adatom mobility, the authors are able to obtain epitaxial growth in the (0015) orientation without substrate prepatterning. Although the growth window is small, this demonstration opens the door for future control of the orientation of van der Waals materials through control of parameters during growth and via interaction with the substrate.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Orientation control of high-χ triblock copolymer for sub-10 nm patterning using fluorine-containing polymeric additives

Directed self-assembly (DSA) of block copolymers (BCPs) Is one of the most promising techniques to tackle the ever-increasing demand for subllthographic features In semiconductor industries. BCPs with high Flory-Huggins parameter (chi) are of particular Interest due to their ability to self-assemble at the length scale of sub-10 nm. However, such high-chi BCPs typically have imbalanced surface energies between respective blocks, making it a challenge to achieve desired perpendicular orientation. To address this challenge, we mixed a fluorine-containing polymeric additive with poly(2-vlnylpyrldine)-block-polystyrene-block-poly(2-vlnylpyrldine) (P2VP-b-PS-b-P2VP) and successfully controlled the orientation of the high-chi triblock copolymer. The additive selectively mixes with P2VP block through hydrogen bonding and can reduce the dissimilarity of surface energies between PS and P2VP blocks. After optimizing additive dose and annealing conditions, desired perpendicular orientation formed upon simple thermal annealing. We further demonstrated DSA of this material system with five times density multiplication and a half-pitch as small as 8.5 nm. This material system Is also amenable to sequential Infiltration synthesis treatment to selectively grow metal oxide In P2VP domains, which can facilitate the subsequent pattern transfer. We believe that this integration-friendly DSA platform using simple thermal annealing holds the great potential for sub-10 nm nanopatterning applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

WE-AB-201-02: TPS Commissioning and QA: A Process Orientation and Application of Control Charts

Treatment planning systems (TPS) are a cornerstone of modern radiation therapy. Errors in their commissioning or use can have a devastating impact on many patients. To support safe and high quality care, medical physicists must conduct efficient and proper commissioning, good clinical integration, and ongoing quality assurance (QA) of the TPS. AAPM Task Group 53 and related publications have served as seminal benchmarks for TPS commissioning and QA over the past two decades. Over the same time, continuing innovations have made the TPS even more complex and more central to the clinical process. Medical goals are now expressed in terms of the dose and margins around organs and tissues that are delineated from multiple imaging modalities (CT, MR and PET); and even temporally resolved (i.e., 4D) imaging. This information is passed on to optimization algorithms to establish accelerator movements that are programmed directly for IMRT, VMAT and stereotactic treatments. These advances have made commissioning and QA of the TPS much more challenging. This education session reviews up-to-date experience and guidance on this subject; including the recently published AAPM Medical Physics Practice Guideline (MPPG) #5 “Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams”. Treatment Planning System Commissioning and QA: Challenges and Opportunities (Greg Salomons) This session will provide some key background and review publications describing prominent incidents relating to TPS commissioning and QA. Traditional approaches have been hardware and feature oriented. They aim to establish a functional configuration and establish specifications for regular testing of features (like dose calculation) to assure stable operation and detect failures. With the advent of more complex systems, more patient-specific testing has also been adopted. A number of actual TPS defects will be presented along with heuristics for identifying similar defects in the future. Finally, the Gamma test has become a popular metric for reporting TPS Commissioning and QA results. It simplifies complex testing into a numerical index, but noisy data and casual application can make it misleading. A brief review of the issues around the use of the Gamma test will be presented. TPS commissioning and QA: A process orientation and application of control charts (Michael Sharpe) A framework for commissioning a treatment planning system will be presented, focusing on preparations, practical aspects of configuration, priorities, specifications, and establishing performance. The complexity of the modern TPS make modular testing of features inadequate, and modern QA tools can provide “too much information” about the performance of techniques like IMRT and VMAT. We have adopted a process orientation and quality tools, like control charts, for ongoing TPS QA and assessment of patient-specific tests. The trending nature of these tools reveals the overall performance of the TPS system, and quantifies the variations that arise from individual plans, discrete calculations, and experimentation based on discrete measurements. Examples demonstrating application of these tools to TPS QA will be presented. TPS commissioning and QA: Incorporating the entire planning process (Sasa Mutic) The TPS and its features do not perform in isolation. Instead, the features and modules are key components in a complex process that begins with CT Simulation and extends to treatment delivery, along with image guidance and verification. Most importantly, the TPS is used by people working in a multi-disciplinary environment. It is very difficult to predict the outcomes of human interactions with software. Therefore, an interdisciplinary approach to training, commissioning and QA will be presented, along with an approach to the physics chart check and end-to-end testing as a tool for TPS QA. The role of standardization and automation in QA will also be discussed. The recommendations of MPPG #5 and practical implementation strategies (Jennifer Smilowitz) The recently published recommendations from Task Group No. 244, Medical Physics Practice Guideline on Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams will be presented. The recommendations focus on the validation of commissioning data and dose calculations. Tolerance values for non-IMRT beam configurations are summarized based on established criteria and data collected by the IROC. More stringent evaluation criteria for IMRT dose calculations are suggested to test the limitations of the TPS dose algorithms for advanced delivery conditions. The MPPG encourages users to create a suite of validation tests for dose calculation for various conditions for static photon beams, heterogeneities, IMRT/VMAT and electron beams. This test suite is intended to be used for subsequent testing, including TPS software upgrades. In the past, the recommendations of some reports have not been widely implemented due to practical limitations. Implementation strategies, tools and processes developed by multiple centers for efficient and “do-able” MPPG #5 testing will be presented, as well as a discussion on the overall validation experience. Learning Objectives: Identify some of the key documents relevant for TPS commissioning and QA Understand strategies for testing TPS software Gain a practical knowledge of the Gamma test criteria Increase familiarity with the process of commissioning a TPS Learn about the use of Control Charts for TPS QA Review the role of the TPS in the overall planning process Increase awareness of the link between TPS QA and chart checking Gain an increased appreciation for the importance of interdisciplinary communication Understand the new recommendations from MPPG #5 on TPS Dose Algorithm Commissioning and QC/QA Learn practical implementation processes and tools for MPPG #5 validation recommendations.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Electronic structure orientation as a map of in-plane antiferroelectricity in β'-In 2 Se 3

Antiferroelectric (AFE) materials are excellent candidates for sensors, capacitors, and data storage due to their electrical switchability and high-energy storage capacity. However, imaging the nanoscale landscape of AFE domains is notoriously inaccessible, which has hindered development and intentional tuning of AFE materials. Here, we demonstrate that polarization-dependent photoemission electron microscopy can resolve the arrangement and orientation of in-plane AFE domains on the nanoscale, despite the absence of a net lattice polarization. Through direct determination of electronic transition orientations and analysis of domain boundary constraints, we establish that antiferroelectricity in β'-In 2 Se 3 is a robust property from the scale of tens of nanometers to tens of micrometers. Ultimately, the method for imaging AFE domain organization presented here opens the door to investigations of the influence of domain formation and orientation on charge transport and dynamics.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Orientational order and formation of topological defects in two-dimensional systems

The formation dynamics of topological defects and the orientational order in nonideal systems of particles interacting with a screened Coulomb potential is numerically simulated. Calculations are performed in a broad range of parameters corresponding to experimental conditions in a laboratory dusty plasma. A relation is obtained between the number of defects, the shape of the orientational correlation function, and the coupling parameter of the system. New approximations are proposed for the orientational correlation function in the liquid and hexatic phases of structures analyzed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium

Here a new model of electrodeposition and electrodissolution is developed and applied to the evolution of Mg deposits during anode cycling. The model captures Butler-Volmer kinetics, facet evolution, the spatially varying potential in the electrolyte, and the time-dependent electrolyte concentration. The model utilizes a diffuse interface approach, employing the phase field and smoothed boundary methods. Scanning electron microscope (SEM) images of magnesium deposited on a gold substrate show the formation of faceted deposits, often in the form of hexagonal prisms. Orientation-dependent reaction rate coefficients were parameterized using the experimental SEM images. Three-dimensional simulations of the growth of magnesium deposits yield deposit morphologies consistent with the experimental results. The simulations predict that the deposits become narrower and taller as the current density increases due to the depletion of the electrolyte concentration near the sides of the deposits. Increasing the distance between the deposits leads to increased depletion of the electrolyte surrounding the deposit. Two models relating the orientation-dependence of the deposition and dissolution reactions are presented. Finally, the morphology of the Mg deposit after one deposition-dissolution cycle is significantly different between the two orientation-dependence models, providing testable predictions that suggest the underlying physical mechanisms governing morphology evolution during deposition and dissolution.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Dielectric metasurfaces made from vertically oriented nanoresonators

Dielectric metasurfaces control optical wavefronts via nanoscale resonators laid out across a surface. However, most metasurfaces are, by design, planar. In this work, we demonstrate the ability to fabricate dielectric metasurfaces with vertically oriented dielectric resonators using membrane projection lithography. We first numerically characterize the resonant modes of an array of vertically oriented germanium ellipses with no substrate and identify a narrowband region where the resonators satisfy the first Kerker condition. We then fabricate seven metasurfaces by depositing germanium ellipses onto walls of a 3D micrometer-sized silicon nitride photonic scaffold and characterize their transmission. We find that signatures of the multipolar modes seen in the unsupported array persist in the supported array, but the overall behavior is more complicated due to the scaffold. Further, we show that for a conceptual metasurface containing two coupled, vertically oriented ellipses, the ellipses can generate a sharp resonance with a quality factor of 240.

Gennaro, Sylvain D. (ORCID:0000000222090831)↗

DOE OSTI2012

Solving structure with sparse, randomly-oriented x-ray data

Single-particle imaging experiments of biomolecules at x-ray free-electron lasers (XFELs) require processing hundreds of thousands of images that contain very few x-rays. Each low-fluence image of the diffraction pattern is produced by a single, randomly oriented particle, such as a protein. We demonstrate the feasibility of recovering structural information at these extremes using low-fluence images of a randomly oriented 2D x-ray mask. Successful reconstruction is obtained with images averaging only 2.5 photons per frame, where it seems doubtful there could be information about the state of rotation, let alone the image contrast. This is accomplished with an expectation maximization algorithm that processes the low-fluence data in aggregate, and without any prior knowledge of the object or its orientation. The versatility of the method promises, more generally, to redefine what measurement scenarios can provide useful signal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Crystal orientation-dependent polarization state of high-order harmonics

We analyze the crystal orientation-dependent polarization state of extreme ultraviolet (XUV) high-order harmonics from bulk magnesium oxide crystals subjected to intense linearly polarized laser fields. We find that only along high-symmetry directions in crystals high-order harmonics follow the polarization direction of the laser field. In general, the polarization direction of high-order harmonics deviates from that of the laser field, and the deviation amplitude depends on the crystal orientation, harmonic order and the strength of the laser field. We use a real-space electron trajectory model to understand the crystal orientation-dependent polarization state of XUV harmonics. The polarization analysis allows us to track the motion of strong-field-driven electron in conduction bands in two dimensions. These results have implications in all-optical probing of atomic-scale structure in real-space, electronic band-structure in momentum space, and in the possibility of generating attosecond pulses with time-dependent polarization in a compact setup.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Structural Orientations Adjacent to Some Colorado Geothermal Systems

Structural orientations (fractures, joints, faults, lineaments, bedding orientations, etc.) were collected with a standard Brunton compass during routine field examinations of geothermal phenomena in Colorado. Often multiple orientations were taken from one outcrop. Care was taken to ensure outcrops were "in place". Point data was collected with a hand-held GPS unit. The structural data is presented both as standard quadrant measurements and in format suitable for ESRI symbology

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

Determining Stress Orientation in Rock Valley, Nevada, Using Ambient Seismic Noise

The stress field and the mechanical properties of rocks are important to consider for nuclear explosion monitoring due to their effect on seismic wave radiation from earthquakes and explosions. At the Rock Valley Direct Comparison site, the regional orientation of the maximum horizontal compressive stress (SH max ) is well constrained, but it is unknown whether there are local heterogeneities. Here, I show that stress-induced anisotropy in nonlinear elasticity can be used to estimate the orientation of SH max . Rocks have compliant internal contacts, such as fractures and mineral grain boundaries, that respond to applied strains more strongly than individual mineral crystals. This strain response is asymmetric between compressive and dilatational strains and is affected by anisotropy in the ambient stress field. Traditional seismic velocity measurements are of strain-averaged velocity, which is less sensitive than nonlinear elasticity to the behavior of compliant internal contacts and therefore the stress field and fracture behavior. My results show that the orientation of SH max measured using ambient seismic noise aligns with regional estimates, with some heterogeneity that can also be explained by the limitations of the seismic array. I demonstrate the potential of a passive technique for monitoring the stress field in places that currently lack local measurements.

58 GEOSCIENCES↗

DOE OSTI2018

3% Silicon Steel Core Material (Grain Oriented Electrical Steel) (Rev.01)

3% (Grain-Oriented) Silicon Steel is a soft magnetic material that is best used in electrical power transformers and inductors. It has a silicon content up to 3.2 mass %, which increases the electrical resistivity and reduces eddy current losses. The magnetic properties can be enhanced during a cold rolling stage (along the length) to produce textured sheets, known as grain-oriented electrical steel. Due to its preferred crystallographic orientation, it is used primarily for non-rotating applications, i.e. transformers and inductors. Typical operating frequency of 3% Silicon Steel is 50-60 Hz (hertz). A variety of forms can be manufactured, including lamination, toroidal and C-cores, as well as glued block cores of various shapes by cutting or pressing.

36 MATERIALS SCIENCE↗

DOE OSTI2018

6.5% Silicon Steel Core Material (Non-Grain Oriented Electrical Steel) (Rev.01)

6.5% (Non-Grain-Oriented) Silicon Steel is a soft magnetic material that is best used in electrical rotating machinery, such as motors and generators. It has a high silicon content up to 6.5 mass %, which reduces the alloy magnetostriction to nearly zero, but causes brittleness and other associated manufacturing challenges. Due to its more random texture compared to 3% (grain-oriented) silicon steel, 6.5% (non-grain-oriented) silicon steel is used for primarily for rotating applications, i.e. motors and generators. Typical operating frequencies of 6.5% Silicon Steel is 400 Hz (hertz). A variety of forms can be manufactured, including lamination, toroidal and C-cores, as well as glued block cores of various shapes by cutting or pressing.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Mind the crosscap: $τ$-scaling in non-orientable gravity and time-reversal-invariant systems

Spectral statistics of quantum chaotic systems are governed by random matrix universality. In many cases of interest, time-reversal symmetry selects the Gaussian Orthogonal Ensemble (GOE) as the relevant universality class. In holographic CFTs, this is mirrored by the presence of non-orientable geometries in the dual gravitational path integral. In this work, we analyze general properties of these matrix models and their gravitational counterparts. First, we develop a formalism to express the universal level statistics in the canonical ensemble for arbitrary spectral curves, leading to a topological expansion with finite radius of convergence in the late-time $τ$-scaling limit. Then, we focus on topological gravity and study topological recursion on the moduli space of non-orientable surfaces. We find that the Weil-Petersson volumes display non-analytic behaviour multiplying polynomials in the boundary lengths. The volumes give rise to wormholes with late-time divergences, in contrast with the orientable case, which is finite. We identify systematic cancellations among WP volumes implied by the consistency and finiteness of the $τ$-scaling limit. In particular, the cancellation of late-time divergences requires a nontrivial genus resummation. Working in the gravitational microcanonical ensemble, we derive and resum all orders of the topological expansion matching the GOE matrix model in the high-energy regime.

Chaotic Dynamics (nlin.CD)↗

DOE OSTI2018

Analysis of control-oriented wake modeling tools using lidar field results

Abstract. The objective of this paper is to compare field data from a scanning lidar mounted on a turbine to control-oriented wind turbine wake models. The measurements were taken from the turbine nacelle looking downstream at the turbine wake. This field campaign was used to validate control-oriented tools used for wind plant control and optimization. The National Wind Technology Center in Golden, CO, conducted a demonstration of wake steering on a utility-scale turbine. In this campaign, the turbine was operated at various yaw misalignment set points, while a lidar mounted on the nacelle scanned five downstream distances. Primarily, this paper examines measurements taken at 2.35 diameters downstream of the turbine. The lidar measurements were combined with turbine data and measurements of the inflow made by a highly instrumented meteorological mast on-site. This paper presents a quantitative analysis of the lidar data compared to the control-oriented wake models used under different atmospheric conditions and turbine operation. Furthermore, these results show that good agreement is obtained between the lidar data and the models under these different conditions.

17 WIND ENERGY↗

DOE OSTI2022

MODELLING FIBER ORIENTATION DURING ADDITIVE MANUFACTURING COMPRESSION MOLDING PROCESSES

The production of high-performance thermoplastic composites reinforced with short carbon fibers can be achieved by a novel “additive manufacturing-compression molding” technique. An advantage of such combination is two-fold: controlled fiber orientation in additive manufacturing and less void content by compression molding. In this study, a computational fluid dynamics model has been developed to predict the behavior of printed layers during fiber-reinforced thermoplastic extrusion and subsequent compression molding. The fiber orientation was modelled with a simple quadratic closure model. The interaction between the fibers is included using a rotary diffusion coefficient which becomes significant in concentrated regimes. Finally, the second order orientation tensor is coupled with the momentum equation as an anisotropic part of the stress term. The effect of processing parameters on the behavior of printed layers was investigated to determine the favorable printing scenarios. The developed numerical model enables design of high-performance composites with tunable mechanical properties.

Seta, Berin↗

DOE OSTI2017

Reduced order methods for the improvement of control-oriented modelling of nuclear power plants - 185

In the development of the control system of a nuclear power plant, it is of primary importance to rely on simulation tools for its realization, testing and validation. These tools should provide an accurate description of the controlled response of the entire power plant in different scenarios. The classic control-oriented modelling based on 0D/1D approach is well suited for control purposes since it provides fast-running simulations and it is easy to linearize, but it may not be sufficient to deeply investigate the complexity of some systems, in particular when/where spatial phenomena have a remarkable impact on dynamics. Reduced Order Methods (ROMs) can offer the proper trade-off between computational cost and solution accuracy, combining the high-detail modelling (e.g., 3D modelling) usually adopted for design purposes with the requirements demanded for a control-oriented tool, firstly the computational efficiency. In this work, ROMs are used to improve a control-oriented plant simulator of a Lead-cooled Fast Reactor (LFR). In particular, the attention is focused on the reactor core neutronics, and on the thermal-hydraulics of the reactor pool as well. A test case regarding the design of a Kalman Filter is set up showing promising results for the application of ROM in the control context. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Brightest Cluster Galaxy ellipticity as proxy for halo shape: Orientation bias, assembly bias, and potential selection effects in SZ-selected clusters

The orientation of triaxial galaxy clusters with respect to the line-of-sight is expected to be one of the prime sources of scatter and potential bias in optical observables (e.g., richness and weak-lensing signal) of galaxy clusters. In this work, we use the observed shape of the central Brightest Cluster Galaxy (BCG) as proxy for the orientation along the line-of-sight for clusters selected via the Sunyaev-Zel'dovich (SZ) effect from the South Pole Telescope (SPT) and Atacama Cosmology Telescope (ACT) surveys, matched to optically selected clusters from the Dark Energy Survey Year 3 (DES). We construct two samples of clusters that are designed to be identical in SZ mass estimate and redshift but with the roundest vs. the most elliptical BCGs, which we expect to correspond to BCGs (and clusters) with major axes aligned along the line-of-sight vs. in the plane of the sky, respectively. We find that the optical richness of round-BCG clusters is $\sim 10$% larger than that of elliptical-BCG clusters, in agreement with the expectation from projection effects and presenting the first such detection in data. The density profiles, however, are not in agreement with the expectation from projection effects: the 1-halo term (below $6~h^{-1}\rm{Mpc}$) of both the weak-lensing and galaxy density profiles are the same for the subsamples, contrary to previous studies based on X-ray selected clusters. In the 2-halo regime (above $6~h^{-1}\rm{Mpc}$), we find a significant excess of the elliptical-BCG cluster profiles compared to the round-BCG cluster profiles, which is the opposite of the expectation from numerical simulations. We hypothesize that the intrinsic shape of the BCG reflects not just the orientation angle, but also intrinsic properties of the cluster which can affect both the SZ signal and the amplitude of the 2-halo term.

Srinivasan, Radhakrishnan [SUNY, Stony Brook] (ORC↗