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DOE OSTI2018

Electron Dose-Controlled Formation, Growth, and Assembly of Nanoclusters and Nanoparticles from Aurophilic Au(I)–Thiolate Ensemble on Surfaces

The ability to precisely control electron irradiationinduced formation, growth, and assembly of nanoclusters or nanoparticles on a solid surface is important for design and creation of catalytically or chemically active surface sites and interfaces free from chemical reducing agents. Here, we show the results of an investigation of the electron dose-controlled formation, growth, and assembly of nanoclusters and nanoparticles in a molecularly assembled thin film of Au(I)–thiolate motifs on a substrate, highlighting an in situ monitoring of the evolution of morphology under controlled electron dose. With aurophilic motifs of Au(I)–thiolate being confined by electrostatic interactions, the sizes of Au nanoclusters and nanoparticles were shown to increase with electron dose, revealing a propensity of a string alignment of the grown nanoclusters and nanoparticles. This growth preference to onedimensional assembly is supported by the analysis of the surface reaction kinetics in terms of the surface density of electron dose for the growth of the nanoclusters and nanoparticles. Here, the electron dose-controlled size-focusing and directional assembly of nanoclusters and nanoparticles may be exploited as new strategy for the precise control of nanoclusters or nanoparticles and their assemblies on solid surfaces not only free from chemical reducing agent but also with the ability of visual monitoring of the morphological evolution during growth.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Sim-Situ: A Framework for the Faithful Simulation of in situ Processing

The amount of data generated by numerical simulations in various scientific domains led to a fundamental redesign of how the analysis and visualization of simulation outputs are performed. The throughput and capacity of storage subsystems have not evolved as fast as the computing power in extreme-scale supercomputers, making the classical post-hoc approach highly inefficient. In situ processing has then emerged as a solution in which simulation and data analysis/visualization are intertwined for better performance and greater interactivity.Determining the best allocation, i.e., how many resources to allocate to simulation and analysis respectively, mapping, i.e., where and at which frequency to run the analysis/visualization, and data transfer mode is a complex task whose performance assessment is crucial to the efficient execution of in situ processing. However, such a performance evaluation of different strategies usually relies either on directly running them on the targeted execution environments, which can rapidly become extremely time- and resource-consuming, or on resorting to simplified models of the components of an in situ application, which can lack of realism. In both cases, the validity of the performance evaluation is limited.In this paper, we present Sim-Situ, a simulation-based framework for the faithful performance evaluation of in situ processing strategies. We designed Sim-Situ to reflect the typical features of in situ processing systems. Thanks to its modular design, Sim-situ has the necessary flexibility to easily and faithfully evaluate the behavior and performance of various allocation, mapping, and data transfer strategies. We illustrate the simulation capabilities of Sim-Situ on a Molecular Dynamics use case. We study the impact of different strategies on performance and show how users can leverage Sim-Situ to determine interesting tradeoffs when adding analysis/visualization components to their application.

Honoré, Valentin↗

DOE OSTI2018

Understanding Dynamical Systems in High-Dimensional Parameter Spaces (Final Report)

In the last few decades, computational models, especially of the complex dynamical systems of greatest interest, i.e., climate, high energy density science, combustion, etc. have become increasingly accurate and sophisticated. Consequently, they are now routinely used to predict outcomes of experiments or to inform design decisions. However, many such simulations depend on a (large) number of parameters in order to, for example, approximate physical phenom whose exact solution is unknown or describe material properties in situations with little or no experimental data. Choosing these parameters and understanding how the outcomes of such a simulation changes with respect to the inputs are rapidly becoming some of the primary challenges in many application areas. Simulations have long been too complex for humans to fully comprehend and thus are often treated as black-box systems. The inputs to the systems are typically a collection of parameters with expert-selected ranges, and the outputs are various quantities of interest (QoIs) describing the performance of the system. Therefore, the fundamental challenge can be described as one of understanding a high-dimensional (many input parameters), multi-variate (many QoIs) function. Unfortunately, existing analysis tools are only of limited use for this task as most techniques can neither deal with many input dimensions nor offer opportunities to jointly study several QoIs. Furthermore, data analysis has long relied on an exploratory process in which scientist first visualize the available data, for example, using scatter plots or 3D renderings, form new hypotheses on some phenomena of interest, and subsequently test these hypotheses using dedicated analysis or statistics approaches. However, for high-dimensional functions this exploration is difficult if not impossible using existing tools as there are too many QoIs to simultaneously observe, and visualizations of high-dimensional spaces are abstract and difficult to understand if they exist at all. The goal of this project is to build new analysis techniques and tool that offer high level insights for exploring high-dimensional scientific data. And to extend existing approach beyond single scalar functions and instead consider multiple QoIs simultaneously.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Compact high-resolution gamma-ray computed tomography system for multiphase flow studies

In this paper, a compact high-resolution gamma-ray Computed Tomography (CompaCT) measurement system for multiphase flow studies and tomographic imaging of technical objects is presented. Its compact and robust design makes it particularly suitable for studies on industrial facilities and outdoor applications. Special care has been given to thermal ruggedness, shock resistance, and radiation protection. Main components of the system are a collimated {sup 137}Cs isotopic source, a thermally stabilised modular high-resolution gamma-ray detector arc with 112 scintillation detector elements, and a transportable rotary unit. The CompaCT allows full CT scans of objects with a diameter of up to 130 mm and can be operated with any tilting angle from 0 Degree-Sign (horizontal) to 90 Degree-Sign (vertical).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

A Classification of G -invariant Shallow Neural Networks

When trying to fit a deep neural network (DNN) to a G-invariant target function with G a group, it only makes sense to constrain the DNN to be G-invariant as well. However, there can be many different ways to do this, thus raising the problem of “G-invariant neural architecture design”: What is the optimal Ginvariant architecture for a given problem? Before we can consider the optimization problem itself, we must understand the search space, the architectures in it, and how they relate to one another. In this paper, we take a first step towards this goal; we prove a theorem that gives a classification of all G-invariant single-hidden-layer or “shallow” neural network (G-SNN) architectures with ReLU activation for any finite orthogonal group G, and we prove a second theorem that characterizes the inclusion maps or “network morphisms” between the architectures that can be leveraged during neural architecture search (NAS). The proof is based on a correspondence of every G-SNN to a signed permutation representation of G acting on the hidden neurons; the classification is equivalently given in terms of the first cohomology classes of G, thus admitting a topological interpretation. The G-SNN architectures corresponding to nontrivial cohomology classes have, to our knowledge, never been explicitly identified in the literature previously. Using a code implementation, we enumerate the G-SNN architectures for some example groups G and visualize their structure. Lastly, we prove that architectures corresponding to inequivalent cohomology classes coincide in function space only when their weight matrices are zero, and we discuss the implications of this for NAS.

Agrawal, Devanshu↗

DOE OSTI2022

Unveiling real‐time crystallization with nucleators and thickeners for zinc nitrate hexahydrate as a phase change material

Abstract The primary challenge of salt hydrates as phase change materials (PCMs) is their high degree of supercooling (∆ T Sup ). Past studies have attempted to alleviate ∆ T Sup by incorporating nucleators possessing similar lattice structure, without a thorough analysis of the nucleator/PCM interactions. This work presents a novel in‐operando study to visually observe the crystallization process of zinc nitrate hexahydrate (ZNH) in real‐time using suitable nucleators and a thickener. We have introduced a new dataset where zinc acetate dihydrate (ZnAc.2H) has been employed as an additive to ZNH for thermal energy storage (TES). According to our in‐operando study, ZnAc.2H underwent hydrolysis in molten ZNH to precipitate needle‐like ZnO particles, which acted as nucleators for the PCM. In the absence of a thickener, the crystal propagation of ZNH exhibited a preferential directional tendency, whereas incorporation of thickener made the phase change process uniform along all directions. Self‐hydrolysis of ZnAc.2H generated excess water which caused the undesirable effect of broadening the endothermic peak. The addition of carboxymethyl cellulose (CMC) thickener could restrict the activity of excess water and reduce the broadening of the endothermic peak. Differential scanning calorimetry (DSC) revealed that 5 wt% ZnAc.2H additive and 2 wt% CMC thickener added to ZNH can considerably improve the TES properties of ZNH PCM (∆ H Fusion 125.9 J·g −1 , ∆ T Sup 3.0°C, melting point [M.P.] 29.0°C). Our in‐operando studies can unveil real‐time phase change behaviors to better design PCM systems with desired characteristics.

Chakraborty, Anirban↗

DOE OSTI2016

WE-FG-BRA-04: A Portable Confocal Microscope to Image Live Cell Damage Response Induced by Therapeutic Radiation

Purpose: To construct a custom and portable fluorescence confocal laser-scanning microscope (FCLSM) that can be placed in the path of therapeutic radiation beams to study real-time radiation-induced damage response in live cells. Methods: We designed and constructed a portable FCLSM with three laser diodes for excitation (405, 488, and 635 nm). An objective lens focuses the excitation light and collects fluorescence from the sample. A pair of galvanometer mirrors scans/collects the laser beam/fluorescence along the focal plane (x/y-directions). A stepper motor stage scans in the axial direction and positions the x/y of the image field. Barrier filters and dichroic mirrors are used to route the spectral emission bands to the appropriate photodetector. An avalanche photodiode collects near-infrared fluorescence; a photodiode collects back-reflected 635 nm light; and a photomultiplier tube collects green fluorescence in the range of eGFP/eYFP. A 200-µm diameter pinhole was used to implement the confocal geometry for near-infrared and red channels and a 150-µm diameter pinhole for the green channel. Data acquisition and system control were achieved using a high-throughput data acquisition card. In-house software developed in LabVIEW was used to control the hardware, collect data from the photodetectors and reconstruct the confocal images. Results: 6 frames/s can be acquired for a 25 µm{sup 2} (128×128 pixels) field of view, visualizing the entire volume of the cell nucleus (∼10 µm depth) in <10 s. To demonstrate the usefulness of our FCLSM, we imaged gold nanoshells in live cells, radiation-induced damage in fibrosarcoma cells expressing eGFP tagged to a DNA repair protein, and neurons expressing eGFP. The system can also image particle tracks in fluorescent nuclear track detectors. Conclusion: We developed a versatile and portable FCLSM that allows radiobiology studies in live cells exposed to therapeutic radiation. The FCLSM can be placed in any vertical beam line for top-to-bottom exposures. This research was supported by the Sister Institution Network Fund and the Center for Radiation Oncology Research at The University of Texas MD Anderson Cancer Center and Cancer Prevention and Research Institute of Texas. Gabriel Sawakuchi has research support from Elekta Inc.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Curvature-mediated spin textures in magnetic multi-layered nanotubes

The scientific and technological exploration of artificially designed three-dimensional magnetic nanostructures opens the path to exciting novel physical phenomena, originating from the increased complexity in spin textures, topology, and frustration in three dimensions. Theory predicts that the equilibrium magnetic ground state of two-dimensional systems which reflects the competition between symmetric (Heisenberg) and antisymmetric (Dzyaloshinskii-Moriya interaction (DMI)) exchange interaction is significantly modified on curved surfaces when the radius of local curvature becomes comparable to fundamental magnetic length scales. Here, we present an experimental study of the spin texture in an 8 nm thin magnetic multilayer with growth-induced in-plane anisotropy and DMI deposited onto the curved surface of a 1.8 {\mu}m long non-magnetic carbon nanowire with a 67 nm radius. Using magnetic soft x-ray tomography the three-dimensional spin configuration in this nanotube was retrieved with about 30nm spatial resolution. The transition between two vortex configurations on the two ends of the nanotube with opposite circulation occurs through a domain wall that is aligned at an inclined angle relative to the wire axis. Three-dimensional micromagnetic simulations support the experimental observations and represent a visualization of the curvature-mediated DMI. They also allow a quantitative estimate of the DMI value for the magnetic multilayered nanotube.

Josten, Elisabeth↗

DOE OSTI2015

SU-F-207-14: Low Contrast Detectability (LCD) at Different Diagnostic Reference Levels for Adult Abdominal CT Procedures

Purpose Using diagnostic reference levels (DRL) to optimize CT protocols has potential to reduce radiation dose and meet regulatory requirements. However, DRL’s tend to be misconstrued as dose limits, are typically designed for specific patient populations, and are assumed to have acceptable image quality (AIQ) associated with them. To determine the image quality that is associated with established DRL’s for adult abdominal CT studies, a LCD phantom study was employed. Methods: A CT phantom (CIRS) containing three columns of 7 spherical targets, ranging from 10mm to 2.4 mm, that are 5, 10, and 20 HU below the background (HUBB) matrix was scanned with a GE HD750 64 slice scanner. The phantom was scanned at the NEXT 2006 25th CTDIvol of 12 mGy, the NCRP 172 achievable dose (AD) CTDIvol of 17 mGy and 75th CTDIvol of 25 mGy and at the ACR recommended CTDIvol of 25 mGy. It was also scanned at a CTDIvol 20% greater than the AD at 20 mGy and the ACR maximum threshold of 30 mGy. Results: At the NEXT 2006 25th percentile CTDIvol of 12 mGy, a 6.3 mm low contrast lesion was detectable in the 20 HUBB; 6.3 mm in the 10 HUBB and 10 mm in the 5 HUBB column. Increasing the CTDIvol to the NCRP 172 AD of 17 mGy, an additional 4.8 mm lesion was visualized in the 20 HUBB column. At 20 mGy, an additional 4.8 mm lesion was detectable in the 10 HUBB column. No further lesions were visible between 20 and 30 mGy. However, conspicuity of all lesions increased with each additional step up in CTDI. Conclusion: Optimizing radiation dose to achieve AIQ is a critical aspect of any dose optimization committee. Hence, judicious monitoring of radiation exposure to patients has to be balanced with diagnostic image quality.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Site Characterization of the Highest-Priority Geologic Formations for CO2 Storage in Wyoming

The project Site Characterization of the Highest-Priority Geologic Formations for CO2 Storage in Wyoming is one of 9 site characterization projects that were implemented as part of ARRA (American Recovery and Reinvestment Act). Data from this project was used to improve resolution of data in NATCARB in the area of study. Data related to this study has already been incorporated in NATCARB Atlas. The Wyoming Carbon Underground Storage Project (WY-CUSP) consisted of CO2 storage site characterization and evaluation, focusing on Wyoming’s most promising CO2 storage reservoirs (the Pennsylvanian Weber/Tensleep Sandstone and Mississippian Madison Limestone) and premier CO2 storage site (Rock Springs Uplift). Results from the WY-CUSP project suggest the two reservoirs could store up to 17,000 million tons of CO2. The WY-CUSP team drilled a stratigraphic test well and acquired a 3-D seismic survey covering 25 square miles of the Rock Springs Uplift site. The team retrieved 916 feet of core from the 12,810-foot-deep well, along with a complete log suite, borehole images, fluid samples, and other data. Project partners (1) provided continuous visual documentation of the core, including grain size, mineralogy, facies distribution, and porosity; (2) performed continuous permeability and velocity scans of selected reservoir intervals; and (3) chemically analyzed the fluid samples. WY-CUSP scientists integrated seismic attributes with observations from log suites, a VSP survey, core, fluid samples, and laboratory analyses, including continuous permeability scans. From these integrations, researchers constructed 3-D spatial distribution volumes of reservoir and seal properties that represent geological heterogeneity at the targeted CO2 storage site. The WY-CUSP team used this data to perform new CO2 plume migration simulations. Baker Hughes, Inc., completed a series of small-scale, in-situ water injectivity measurements. A database was formed when observations, analyses, and experiments from the stratigraphic test well were integrated. Correlation of these data allowed petrophysical parameters to be extrapolated from the test well out into the storage domain (5x5 mile 3-D seismic survey volume). This resulted in an improved, realistic understanding of performance assessments for potential CO2 storage scenarios. The WY-CUSP team worked on (1) improving CO2 storage resource estimates, (2) establishing long-term integrity and permanence of confining layers, (3) designing a profitable strategy for pressure management, and (4) evaluating the utilization of stored CO2 at the Rock Spring Uplift. Finally, Baker Hughes developed a microseismic baseline for the test site using in-bore geophones to complete field operations.

3-D seismic↗

DOE OSTI2022

Mechanical response and microstructure evolution from multiaxial stress relaxation in textured zircaloy nuclear cladding

Modern energy markets provide motivation for nuclear reactors to increase operational flexibility and load following capacity of existing reactor designs. The operational power changes result in fuel pellet expansion and contraction resulting in pellet-cladding mechanical interaction (PCMI) and high cladding stresses that are strongly related to stressed corrosion cracking (SCC) which can lead to fuel rod failure. This work aims to quantify the stress fields in cladding with a focus on multiaxial stress relaxation response from an imposed strain and the resulting microstructure changes in textured zircaloy claddings. Stress relaxation tests resulting in multiaxial stress fields are performed to measure the material response of Zircaloy-4 nuclear cladding. Multiple experiments using samples from the same piece of cladding are performed so samples with the same processing history may be removed at strategic points throughout mechanical testing for microstructure characterization. The microstructure evolution is analyzed with mechanical response to evaluate the static recovery impact on crystallographic texture and grain morphology. Experiments are performed at Idaho National Laboratory using an experimental device capable of applying internal pressure and independent axial load to commercial nuclear cladding at elevated temperatures with stress- or strain-controlled experimental capability. X-ray diffraction and electron backscatter diffraction are used for microstructure analysis. Rheological models are used to visualize the multiaxial stress-strain relationships and isolate elastic, plastic, and viscoplastic material properties for analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2012

Microfocus x-ray imaging of traceable pointlike {sup 22}Na sources for quality control

Purpose: The purpose of this study is to propose a microfocus x-ray imaging technique for observing the internal structure of small radioactive sources and evaluating geometrical errors quantitatively, and to apply this technique to traceable pointlike {sup 22}Na sources, which were designed for positron emission tomography calibration, for the purpose of quality control of the pointlike sources. Methods: A microfocus x-ray imaging system with a focus size of 0.001 mm was used to obtain projection x-ray images and x-ray CT images of five pointlike source samples, which were manufactured during 2009-2012. The obtained projection and tomographic images were used to observe the internal structure and evaluate geometrical errors quantitatively. Monte Carlo simulation was used to evaluate the effect of possible geometrical errors on the intensity and uniformity of 0.511 MeV annihilation photon pairs emitted from the sources. Results: Geometrical errors were evaluated with sufficient precision using projection x-ray images. CT images were used for observing the internal structure intuitively. As a result, four of the five examined samples were within the tolerance to maintain the total uncertainty below {+-}0.5%, given the source radioactivity; however, one sample was found to be defective. Conclusions: This quality control procedure is crucial and offers an important basis for using the pointlike {sup 22}Na source as a basic calibration tool. The microfocus x-ray imaging approach is a promising technique for visual and quantitative evaluation of the internal geometry of small radioactive sources.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2026

Dataset describing two reference models for full-spectral lighting and daylight simulations together with implementations for two software systems

A dataset of two spectral lighting simulation reference models - one office and one factory hall - is presented. It aims to demonstrate and support full-spectral daylight and electric lighting simulations and facilitate evaluation of non-visual effects of light. The dataset includes Rhino CAD geometry, comprehensive spectral material and light source data and window system BSDF data. Example implementations in the two software tools, Radiance and OWL, enable reproducible workflows and support adoption in other software. The dataset is openly available on Zenodo. The office model reproduces Room 518 at the University of Innsbruck, including a west-facing façade and interior furnishings. The factory hall model follows the proposed geometry in the European standard 15193 for building energy performance. Interior reflectances in the office were measured in-situ using a handheld spectrometer. Exterior spectra and factory hall materials matching specified reflectances were obtained from an online spectral materials database. Glazing transmittance was derived from IGDB data using LBNL Optics/WINDOW. BSDFs for venetian blinds at various tilt angles, and for a diffusing pane adapted from the Complex Glazing Database, were generated in WINDOW. Luminaires in both models are specified with photometric files (Eulumdat/IES) and lamp spectra (Fluorescent 840, 4000 K LED). The provided example implementations (Radiance, OWL) include prepared input data and scripts to run first spectral simulations; example results are also included. The dataset is prepared to support reuse by researchers, designers and software developers for method validation, software engineering and comparison, and development of spectral metrics and controls.

Geisler-Moroder, David↗

DOE OSTI2022

An automated fast neutron computed tomography instrument with on-line focusing for non-destructive evaluation

A fast neutron tomography imaging instrument has been designed, built, and tested at The Ohio State University 500 kW Research Reactor on a fast neutron beamline with a peak neutron flux ≈5.4 × 107 n·cm−2·s−1 at 1.6 MeV median neutron energy. The instrument and beamline are also configurable for thermal neutron imaging. The imaging apparatus is composed of a lens coupled, water-cooled Electron Multiplying Charge Coupled Device camera, a front-surface mirror, and a high light yield plastic Polyvinyl toluene scintillator. The instrument sits on a mobile cart. A total of 5 motion-control stages are built into the system for XYZ and rotational degrees of freedom for sample positioning; the fifth stage fine tunes the focal distance between the camera and the scintillator to achieve on-line focusing. A Python code with a user-friendly graphical user interface controls the fully automated image acquisition, not requiring user interaction, yet facilitating tracking of the image acquisition. A complete fast neutron computed tomography dataset with 360 projections requires less than 3 h, with 30 s per projection. On-line focusing is accomplished with a commercial, off-the-shelf, dielectrically actuated liquid lens. Finally, tomographic reconstructions are visualized using the Livermore Tomography Tools software package. The effective pixel size (width and height) is ≈0.1058 mm, yielding a minimum voxel size of 0.1058 × 0.1058 × 0.1058 mm3, and produces a spatial resolution of 231 μm when calculated from knife-edge measurements.

Bisbee, M. G. (ORCID:0000000313466697)↗

DOE OSTI2022

AMM: Adaptive Multilinear Meshes

Adaptive representations are increasingly indispensable for reducing the in-memory and on-disk footprints of large-scale data. Usual solutions are designed broadly along two themes: reducing data precision, e.g., through compression, or adapting data resolution, e.g., using spatial hierarchies. Additionally, recent research suggests that combining the two approaches, i.e., adapting both resolution and precision simultaneously, can offer significant gains over using them individually. However, there currently exist no practical solutions to creating and evaluating such representations at scale. In this work, we present a new resolution-precision-adaptive representation to support hybrid data reduction schemes and offer an interface to existing tools and algorithms. Through novelties in spatial hierarchy, our representation, Adaptive Multilinear Meshes (AMM), provides considerable reduction in the mesh size. AMM creates a piecewise multilinear representation of uniformly sampled scalar data and can selectively relax or enforce constraints on conformity, continuity, and coverage, delivering a flexible adaptive representation. AMM also supports representing the function using mixed-precision values to further the achievable gains in data reduction. We describe a practical approach to creating AMM incrementally using arbitrary orderings of data and demonstrate AMM on six types of resolution and precision datastreams. By interfacing with state-of-the-art rendering tools through VTK, we demonstrate the practical and computational advantages of our representation for visualization techniques. With an open-source release of our tool to create AMM, we make such evaluation of data reduction accessible to the community, which we hope will foster new opportunities and future data reduction schemes.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Model Energy Codes End-Use Opportunity Analysis

Model energy codes (ASHRAE Standard 90.1 and IECC) has significantly impacted programs and policies aimed at improving energy efficiency both in United States and across the globe. Standard 90.1, first published in 1975 (originally referred to as Standard 90) provides minimum energy efficiency guidelines for designing, constructing, operating, and maintaining new construction and renovated buildings. It is updated continuously, with new editions published every 3 years. Pacific Northwest National Laboratory (PNNL) conducts simulated energy and cost savings analysis of model energy codes to determine their expected impact and to track progress toward net-zero goals and efficiency targets. Additionally, the simulation outputs are examined to assess how energy is used across primary systems within prominent U.S. commercial building types to understand how energy is used in each building type at the end-use level and to identify areas for improvements in future code cycles. This end-use opportunity analysis of model energy codes provides ASHRAE technical committees and other interested parties a better understanding of how the Standard affects various building systems and end uses, specifically, those in the Standard that most prominently influence energy efficiency. Additionally, findings provide industry stakeholders guidance in identifying building types and end-uses with the most potential for energy efficiency improvements through energy codes and those that may require beyond code measures to meet energy use reduction targets. This paper summarizes features and functionalities of a webtool created by PNNL to explore and visualize the End-Use opportunity analysis.

ASHRAE 90.1, Energy Codes, Tableau↗

DOE OSTI2021

Magnetism in metastable and annealed compositionally complex alloys

Compositionally complex materials (CCMs) present a potential paradigm shift in the design of magnetic materials. These alloys exhibit long-range structural order coupled with limited or no chemical order. As a result, extreme local environments exist with a large variations in the magnetic energy terms, which can manifest large changes in the magnetic behavior. In the current work, the magnetic properties of (Cr, Mn, Fe, Ni) alloys are presented. These materials were prepared by room-temperature combinatorial sputtering, resulting in a range of compositions with a single bcc structural phase and no chemical ordering. The combinatorial growth technique allows CCMs to be prepared outside of their thermodynamically stable phase, enabling the exploration of otherwise inaccessible order. The mixed ferromagnetic and antiferromagnetic interactions in these alloys causes frustrated magnetic behavior, which results in an extremely low coercivity (<1mT), which increases rapidly at 50 K. At low temperatures, the coercivity achieves values of nearly 500 mT, which is comparable to some high-anisotropy magnetic materials. Further, commensurate with the divergent coercivity is an atypical drop in the temperature dependent magnetization. These effects are explained by a mixed magnetic phase model, consisting of ferro-, antiferro-, and frustrated magnetic regions, and are rationalized by simulations. A machine-learning algorithm is employed to visualize the parameter space and inform the development of subsequent compositions. Annealing the samples at 600 °C orders the sample, more-than doubling the Curie temperature and increasing the saturation magnetization by as much as 5×. Simultaneously, the large coercivities are suppressed, resulting in magnetic behavior that is largely temperature independent over a range of 350 K. The ability to transform from a hard magnet to a soft magnet over a narrow temperature range makes these materials promising for heat-assisted recording technologies.

36 MATERIALS SCIENCE↗

DOE OSTI2015

TU-AB-201-07: Image Guided Endorectal HDR Brachytherapy Using a Compliant Balloon Applicator

Purpose: High dose rate endorectal brachytherapy is an option to deliver a focal, high-dose radiotherapy to rectal tumors for patients undergoing non-operative management. We investigate a new multichannel, MR compatible applicator with a novel balloon-based design to provide improved treatment geometry. We report on the initial clinical experience using this applicator. Methods: Patients were enrolled on an IRB-approved, dose-escalation protocol evaluating the use of the anorectal (AR-1) applicator (Ancer Medical, Hialeah, FL), a multichannel applicator with two concentric balloons. The inner balloon supports 8 source lumens; the compliant outer balloon expands to separate the normal rectal wall and the source lumens, yet deforms around a firm, exophytic rectal mass, leading to dose escalation to tumor while sparing normal rectum. Under general anesthesia, gold fiducial markers were inserted above and below the tumor, and the AR applicator was placed in the rectum. MRI-based treatment plans were prepared to deliver 15 Gy in 3 weekly fractions to the target volume while sparing healthy rectal tissue, bladder, bowel and anal muscles. Prior to each treatment, CBCT/Fluoroscopy were used to place the applicator in the treatment position and confirm the treatment geometry using rigid registration of the CBCT and planning MRI. After registration of the applicator images, positioning was evaluated based on the match of the gold markers. Results: Highly conformal treatment plans were achieved. MR compatibility of the applicator enabled good tumor visualization. In spite of the non-rigid nature of the applicators and the fact that a new applicator was used at each treatment session, treatment geometry was reproducible to within 2.5 mm. Conclusions: This is the first report on using the AR applicator in patients. Highly conformal plans, confidence in MRI target delineation, in combination with reproducible treatment geometry provide encouraging feedback for continuation with dose escalation in these patients.

60 APPLIED LIFE SCIENCES↗