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At least 271 records · Page 15

Technical Interface Coordination with SHINE (FY2020 Summary)

In FY20, Los Alamos National Laboratory (LANL) performed technical interface coordination with SHINE including coordination of SHINE CFD and thermal hydraulics conference calls, national laboratory conference calls, and program management activities such as reporting and tracking requirements for current FY20 activities. SHINE did not request any general technology consultation support for emergent issues. LANL has participated in the bi-weekly conference calls with SHINE and other national laboratories regarding LANL’s current activities. Activities discussed include the Supo 3-D CFD model geometry validation, releasing the CFD-MCNP coupled codes for the generic solution vessel simulations, and the ANL bubble experiment #2 design, preparation, and collaboration.

07 ISOTOPE AND RADIATION SOURCES↗

FY25 Cellular Silicone Foam Friction Testing Summary Report

This effort was a collaboration between LANL groups MPA-CINT, E-13, and V-14 to characterize various properties of foam materials for programmatic work. Specifically, MPA-CINT staff members’ contribution to this effort was to perform friction testing of cellular silicone foams of two different porosities with respect to two engineering materials with predefined surface roughnesses. The selected foams (henceforth serving as the sled material interface exposed to motion) had porosities of 67% and 70% with respect to fabricated values. The other materials used in the friction testing measurement couple (static track material) were 304 Stainless Steel (304 SS) and Very High-Temperature Glass-Mica Ceramic, known as Macor®.

36 MATERIALS SCIENCE↗

Vision and Development of a Design, Implementation, and Verification Automation (DIVA) Software Platform for DNA Construction

Abstract DNA construction, while a prerequisite to many biological endeavors, is often a time-consuming distraction from an individual’s primary research objectives. We envisioned that with the right software infrastructure and cultural mindset, a single person could execute in parallel the batched DNA construction tasks of an entire research institute, at scales realizing efficiency gains through process and laboratory automation. In pursuit of this vision, we developed the Design, Implementation, and Verification Automation (DIVA) software platform. DIVA’s web interface enables researchers to design DNA constructs (using visual biological computer-aided design tools and biological parts repositories), submit designs for construction to dedicated staff, and track DNA construction as it progresses. DIVA supports the dedicated staff through the DNA construction process and records both successful and unsuccessful attempts toward improving the overall process. The platform is publicly available at public-diva.jbei.org and its open-source code through github.com/JBEI/DIVA.

Plahar, Hector [DOE Agile BioFoundry , , ,; DOE Jo↗

Thermal conductance enhanced via inelastic phonon transport by atomic vacancies at Cu/Si interfaces

Understanding and controlling heat transfer across interfaces has become an important issue for the performance of micro- and nanoscale electronics, as well as achieving a high figure of merit for thermoelectrics. Intrinsic and extrinsic defects can have a significant impact on thermal transport in bulk materials and across interfaces, but the mechanism is not well understood. Here, nonequilibrium molecular dynamics simulations are used to determine the impact of interfacial atomic vacancies on thermal transport across a Cu/Si junction. In contrast to the reduction in thermal transport typically seen with bulk defects, we find that by introducing atomic vacancies at a concentration of 6.3% near the interface in either or both materials, the interfacial thermal conductance can be increased by up to 76%. By controlling the initial positions of the vacancies and keeping track of their movements and population, we find that interfacial thermal transport is dependent on temperature, vacancy concentration, and distribution, and a positive correlation between the conductance and point defect activities (extent of vacancy migration, rate of Frenkel defect creation and annihilation) is observed. Further calculations based on the phonon density of states and normal mode decomposition reveal that the increase in interfacial thermal conductance originates primarily from high-frequency phonons, supported by enhanced inelastic phonon transport which contributes to more than 60% of the increase. Our findings suggest a practical way to manipulate inelastic phonon conversion through the presence of defects, which provides an alternative perspective on improving thermal transport between materials with a large lattice mismatch.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SU-E-J-38: Comparison of 6MV Photon Dose in a Perpendicular and Parallel Magnetic Field

Purpose: Integrating a linac with an MRI system would allow for real time tumour tracking however the patient will be irradiated in the presence of a magnetic field. The present study experimentally investigates the magnetic field effects on entrance, exit, and interface dose for both transverse and parallel magnetic fields. Methods: Polystyrene was used to construct a set of phantoms for Gafchromic film measurements. One phantom had an adjustable air gap and four other phantoms had one surface at various angles. The linac-MR prototype consisting of a biplanar permanent magnet coupled to a linac was used for the transverse magnetic field measurements. A couple of solenoid electromagnets, stacked on top of each other and irradiated along their bore, were used for the parallel field measurements. Results: All doses are relative to no magnetic field. The transverse magnetic field reduced the entrance dose for all surface angles by strongly deflecting the contaminant electrons. The exit dose in a transverse magnetic field was found to be significantly higher. The entrance dose with a parallel magnetic field present is higher due to the contaminant electrons being concentrated within the beam area. The air gap phantom measurements, done in a transverse magnetic field, show a significant increase of the dose at the proximal side of the air gap and a decrease at the distal side. The measurements, done in the parallel magnetic field, show the concentration of secondary electrons in the air gap. Conclusion: The radiation dose measurements of a 6MV beam in a parallel and transverse magnetic field presented here are currently being replicated using Monte Carlo simulations. This verified Monte Carlo system could provide the dose calculation basis for future linac-MR systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Soda Pop: A Time-Series Clustering, Alarming and Disease Forecasting Application

To introduce Soda Pop, an R/Shiny application designed to be a disease agnostic time-series clustering, alarming, and forecasting tool to assist in disease surveillance “triage, analysis and reporting” workflows within the Biosurveillance Ecosystem (BSVE). In this poster, we highlight the new capabilities that are brought to the BSVE by Soda Pop with an emphasis on the impact of methodological decisions. The Biosurveillance Ecosystem (BSVE) is a biological and chemical threat surveillance system sponsored by the Defense Threat Reduction Agency (DTRA). BSVE is intended to be user-friendly, multi-agency, cooperative, modular and threat agnostic platform for biosurveillance. In BSVE, a web-based workbench presents the analyst with applications (apps) developed by various DTRA funded researchers, which are deployed on-demand in the cloud(e.g., Amazon Web Services). These apps aim to address emerging needs and refine capabilities to enable early warning of chemical and biological threats for multiple users across local, state, and federal agencies. Soda Pop is an app developed by Pacific Northwest National Laboratory (PNNL) to meet the current needs of the BSVE for early warning and detection of disease outbreaks. Aimed for use bya diverse set of analysts, the application is agnostic to data source and spatial scale enabling it to be generalizable across many diseases and locations. To achieve this, we placed a particular emphasis on clustering and alerting of disease signals within Soda Pop without strong prior assumptions on the nature of observed diseased counts. Although designed to be agnostic to the data source, Soda Pop was initially developed and tested on data summarizing Influenza-Like Illness in military hospitals from collaboration with the Armed Forces Health Surveillance Branch. Currently, the data incorporated also includes the CDC’s National Notifiable Diseases Surveillance System(NNDSS) tables and the WHO’s Influenza A/B Influenza Data(Flunet). These data sources are now present in BSVE’s Postgres data storage for direct access. Soda Pop is designed to automate time-series tasks of data summarization, exploration, clustering, alarming and forecasting. Built as an R/Shiny application, Soda Pop is founded on the powerful statistical tool R.. Where applicable, Soda Pop facilitates nonparametric seasonal decomposition of time-series; hierarchical agglomerative clustering across reporting areas and between diseases within reporting areas; and a variety of alarming techniques including Exponential Weighted Moving Average alarms and Early Aberration Detection. Soda Pop embeds these techniques within a user-interface designed to enhance an analyst’s understanding of emerging trends in their data and enables the inclusion of its graphical elements into their dossier for further tracking and reporting. The ultimate goal of this software is to facilitate the discovery of unknown disease signals along with increasing the speed of detection of unusual patterns within these signals. Soda Pop organizes common statistical disease surveillance tasks in a manner integrated with BSVE data source inputs and outputs. The app analyzes time-series disease data and supports a robust set of clustering and alarming routines that avoid strong assumptions on the nature of observed disease counts. This attribute allows for flexibility in the data source, spatial scale, and disease types making it useful to a wide range of analysts.

97 MATHEMATICS AND COMPUTING↗

SU-D-18A-05: Assessing Elekta MLC Tracking Performance

Purpose: To investigate the technical feasibility of using Elekta MLCs in tracked radiotherapy, specifically to show the capability of an Agility MLC to follow model tumor trajectories using object tracking. The system performance of the MLC is to be assessed via dosimetric experiments and temporal response measures. Methods: The system observer in the tracking cascade consisted of a camera serving for this proof of concept; Images of a moving object were acquired continuously and decorrelated for the position information, which was fed forward to the RT computer controlling the MLC via an interface provided by Elekta. The 1D motion (in the direction of the leaves) was induced by a CIRS motion controller. Additionally, the aperture position was observed by means of the light field of the linac. Calculating the phase between aperture and object yielded the mean aperture lag for the current setup. The object was restricted to sinusoidal motion with a period of 10s. For dosimetry, GafChromic radiosensitive film was irradiated with a total dose of 1000MU using an aperture size of 40mm and a motion range of 30mm. Results: Object tracking can substantially reconstruct the geometric dose response of a static target. In the dynamic case, dose is smeared out into the legs of the static distribution, leading to a reduced plateau and increased FWHM of 5mm, compared to the static width of 38mm. The time-lag between object and aperture was determined to be approximately 300ms for the current set-up. Conclusion: We demonstrated a tracking experiment performed on a clinical Elekta linear accelator for the first time. Observed profile variations show the dosimetric impact of tracked delivery. The determined lag is a valuable descriptor for a future tracking cascade employing predictor filters. The performed experiments are generic and possible predecessors for future applications with MR-Linac or ultrasound probes. Conflict of interest: this project is partly funded by Elekta.

60 APPLIED LIFE SCIENCES↗

Refreshing Waste Tracking Software for the 2020's - 20059

The Waste Compliance and Tracking System (WCATS) is a software application designed to manage waste operations from cradle to grave. The system provides the support needed for characterization, generation, processing, and shipment of all waste generated or stored at Los Alamos National Laboratory (LANL). Waste is tracked with task records for containers in real-time via both desktop and mobile device applications. The software allows application administrators to configure sites with appropriate limits for Pu-239 equivalent Curies (PE-Ci), fissile gram equivalents (FGEs), volume limits, as well as custom limits for site-specific technical safety requirements (TSRs). WCATS was developed based on a need at Los Alamos National Laboratory for a modern, customizable waste tracking system that could support many different waste types. The application is built using Oracle{sup R} database and Oracle{sup R} ADF Swing application framework. The technologies and software frameworks selected for the system were finalized in 2006. Although Oracle{sup R} Database has proven to be robust, the user interface and application framework interface with the database have been deprecated and need to be replaced. The technologies selected for modernization follow the open-source model, which allows the WCATS team to more easily recruit developers, improve the speed of development, and ease the deployment and adoption of the system. The tools that support the re-engineering effort are Vue.js{sup R}, a JavaScript{sup R} framework, and Spring Boot{sup R}, an API (application programming interface) development tool written in Java{sup R}. An API allows for simplified communication from the database to the user interface of the application. In addition, legacy Crystal Reports{sup R} will be replaced with reports developed with the open source Pentaho{sup TM}f Report Designer community edition. Because the application uses HTML and JavaScript{sup R}, it builds upon tools that have been used for many years in web development. These tools have large community support and their proven track record will ensure that enhancements to WCATS can continue for years to come. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Iodine’s Wild Ride Leading to Photoinstability in Halide Perovskite Solar Cells

Understanding processes that contribute to efficiency losses during long-term operation of perovskite solar cells is crucial for achieving operational stability. Although maximum power point tracking optimizes outdoor performance, it is not uncommon that devices are kept under open-circuit conditions during sunny hours. Under these conditions, charge carriers accumulate at the interfaces rather than flowing through the circuit. In the case of the MAPbI 3 /spiro-OMeTAD interface studied here, hole accumulation leads to formation of I2 and subsequent oxidation of spiro-OMeTAD. By employing in situ absorption measurements, we show that the decrease in power conversion efficiency follows the spiro-OMeTAD oxidation while operating the device under open-circuit conditions. In short-circuit conditions, where photogenerated charge carriers are extracted in the external circuit, the I 2 -induced oxidation of spiro-OMeTAD and the device instability are minimized. The photoinduced expulsion of iodine from MAPbI 3 into spiro-OMeTAD discussed in this work provides new insight into the photoinstability of perovskite solar cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

3D model generation using an airborne swarm

Using an artificial kinematic field to provide co-ordination between multiple inspection UAVs, the authors herein demonstrate full 3D modelling capability based on a photogrammetric system. The operation of the system is demonstrated by generating a full 3D surface model of an intermediate level nuclear waste storage drum. Such drums require periodic inspection to ensure that drum distortion or corrosion is carefully monitored. Performing this inspection with multiple airborne platforms enables rapid inspection of structures that are inaccessible to on-surface remote vehicles and are in human-hazardous environments. A three-dimensional surface-meshed model of the target can then be constructed in post-processing through photogrammetry analysis of the visual inspection data. The inspection environment uses a tracking system to precisely monitor the position of each aerial vehicle within the enclosure. The vehicles used are commercially available Parrot AR. Drone quadcopters, controlled through a computer interface connected over an IEEE 802.11n (WiFi) network, implementing a distributed controller for each vehicle. This enables the autonomous and distributed elements of the control scheme to be retained, while alleviating the vehicles of the control algorithm’s computational load. The control scheme relies on a kinematic field defined with the target at its centre. This field defines the trajectory for all the drones in the volume relative to the central target, enabling the drones to circle the target at a set radius while avoiding drone collisions. This function enables complete coverage along the height of the object, which is assured by transitioning to another inspection band only after completing circumferential coverage. Using a swarm of vehicles, the time until complete coverage can be significantly reduced.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DIVA/DeviceEditor v6.1.2

DIVA is an end-to-end DNA design and construction management platform that streamlines how researchers design, build, and receive sequence-verified DNA constructs. Through a web-based BioCAD interface (DeviceEditor), researchers independently design DNA constructs and submit them to a centralized queue with a single action. Designs progress transparently through standardized states which allow researchers to track status and access finished constructs via a central DNA repository. Submitted designs are reviewed by dedicated staff for feasibility and optimization, reducing costly failures and improving downstream execution. Automated DNA assembly software optimizes construction strategies by reusing existing parts where possible and sourcing synthetic DNA only when needed. Standardized, sequence-agnostic assembly methods enable many independent constructs to be built in parallel using lab automation, dramatically increasing throughput. High-throughput next-generation sequencing is used to verify construct accuracy, with flexible platforms selected based on task requirements. Throughout the process, detailed success and failure data are captured and analyzed, enabling continuous improvement of assembly protocols. Compared to traditional, manual DNA construction workflows, DIVA offers higher scalability, transparency, reproducibility, and data-driven optimization.

Plahar, Hector [Lawrence Berkeley National Laborat↗

Towards a Consolidated Approach for the Assessment of Evaluation Models of Nuclear Power Reactors

The STARS project at the Paul Scherrer Institut (PSI) has adopted the TRACE thermal-hydraulic (T-H) code for best-estimate system transient simulations of the Swiss Light Water Reactors (LWRs). For analyses involving interactions between system and core, a coupling of TRACE with the SIMULATE-3K (S3K) LWR core simulator has also been developed. In this configuration, the TRACE code and associated nuclear power reactor simulation models play a central role to achieve a comprehensive safety analysis capability. Thus, efforts have now been undertaken to consolidate the validation strategy by implementing a more rigorous and structured assessment approach for TRACE applications involving either only system T-H evaluations or requiring interfaces to e.g. detailed core or fuel behavior models. The first part of this paper presents the preliminary concepts of this validation strategy. The principle is to systematically track the evolution of a given set of predicted physical Quantities of Interest (QoIs) over a multidimensional parametric space where each of the dimensions represent the evolution of specific analysis aspects, including e.g. code version, transient specific simulation methodology and model "nodalisation". If properly set up, such environment should provide code developers and code users with persistent (less affected by user effect) and quantified information (sensitivity of QoIs) on the applicability of a simulation scheme (codes, input models, methodology) for steady state and transient analysis of full LWR systems. Through this, for each given transient/accident, critical paths of the validation process can be identified that could then translate into defining reference schemes to be applied for downstream predictive simulations. In order to illustrate this approach, the second part of this paper presents a first application of this validation strategy to an inadvertent blowdown event that occurred in a Swiss BWR/6. The transient was initiated by the spurious actuation of the Automatic Depressurization System (ADS). The validation approach progresses through a number of dimensions here: First, the same BWR system simulation model is assessed for different versions of the TRACE code, up to the most recent one. The second dimension is the "nodalisation" dimension, where changes to the input model are assessed. The third dimension is the "methodology" dimension. In this case imposed power and an updated TRACE core model are investigated. For each step in each validation dimension, a common set of QoIs are investigated. For the steady-state results, these include fuel temperatures distributions. For the transient part of the present study, the evaluated QoIs include the system pressure evolution and water carry-over into the steam line.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Summary of LANL FY18 Technical Interface Coordination with SHINE

In FY18, Los Alamos National Laboratory (LANL) provided technical support for SHINE emergent needs and technical interface coordination including coordination of SHINE CFD/Thermal Hydraulics/transient analysis conference calls, Mo-99 meetings and reviews, national laboratory conference calls, and program management activities such as reporting and tracking requirements for cur rent FY18 activities. LANLhas also provided general technology consultation support for emerging issues.

99 GENERAL AND MISCELLANEOUS↗

Waste Compliance and Tracking System (WCATS) Version 3 Requirements Document

This document describes the end-user requirements for the Waste Compliance and Tracking System (WCATS) project in accordance with the WCATS Software Quality Management Plan, EPC-WMP-WCATSPLAN-001. The WCATS application shall support the generation, characterization, processing, and shipment of LANL radioactive, hazardous, and industrial waste. Regulatory drivers include RCRA hazardous waste, DOT shipping, NNSA nuclear material control and accountability, DOE nuclear safety, TSDF permit, and transuranic waste certification requirements. The system will utilize a task-based architecture that supports the spectrum of treatment, storage, disposal, administrative, and characterization based unit operations necessary to manage waste from cradle to grave. The application design shall readily accommodate new facilities, processes, workflow, signature requirements, and so forth, via end-user established metadata. WCATS will provide support for representing waste storage and disposal facilities, buildings, rooms, and grid layouts (x, y, z) to support waste and radioactive material inventory management. Nuclear material at risk (MAR), DOE hazard rating (e.g., Category II facility) compliance per DOE-STD-1027, and permit inventory requirements will be configurable for any storage or disposal facility, or waste operation, and the system will automatically evaluate and enforce those requirements. In addition, the application will support the characterization and management of the entire range of hazardous and radioactive wastes (TRU, MTRU, LLW, MLLW, hazardous waste, etc.) that might be colocated or processed at a permitted facility. Some capabilities not found in traditional systems include user-defined tank systems for liquid waste, user-defined work paths (i.e., sequence of operations), and an equipment subsystem for tracking the calibration, maintenance, and inspection of tools used to process waste, such as torque wrenches, scales, pH probes, etc. The application incorporates a desktop and mobile user interface as shown in Figure 1. The mobile interface supports field operations, such as waste item characterization, intra-facility transfers, internal and external audits, and shipment preparation and receipt.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Optical Properties of Bacteriorhodopsin–Gold Bionano Interfaces

Monolayers of different mutants of bacteriorhodopsin (bR) with purple membranes are deposited on gold (Au) substrates. Optical measurements and density functional theory-based electronic structure calculations are reported for the first time for the bR chromophore, which is the retinal protonated Schiff base. The dielectric function of the chromophore is extracted using spectroscopic ellipsometry. Designed mutants of bR are used to investigate the bonding with the gold substrate and bR–Au bonding changes can be tracked using the optical properties of the retinal fragment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Maximum power point tracking for a multi-layered piezoelectric heel charger with a levered mechanism toward impact-based energy harvesting

The piezoelectric footstep energy harvester does not always work at its maximum power point when the external load is fixed, as the optimal load changes when the walking excitation alters. Thus, the harvesting efficiency is downgraded largely in real-life scenarios compared to in-lab experiments and theoretical or numerical predictions due to the mismatch between the actual load and the optimal load. To address this issue, the concept of Maximum Power Point Tracking (MPPT) is investigated in this paper and the circuit design is implemented for a multi-layered levered piezoelectric footstep energy harvester (heel charger). The proposed event-driven MPPT circuit interface with a customized buck converter aims to maximize the power gained from daily walking using the heel charger to power a fixed load, such as smart insole or shoes. The MPPT circuit design is conceptually simulated and then tested with the heel charger to further validate if it works at its maximum power point when the frequency of the input excitation alters. Results show that the extracted power from the heel charger connected to a fixed resistance load with MPPT implementation is improved up to 300% compared to the one without MPPT implementation in simulation and up to 180% in the experiment when connected to a fixed load. The difference between simulation and experimental results is due to the optimization of using voltage sources as the heel charger and the control signals (pulse width modulation) from the microcontroller in the simulation.

47 OTHER INSTRUMENTATION↗

Structure evolution and tin redistribution during oxidation of Zircaloy-4 at 500°C

Zirconium (Zr) alloys are widely used as fuel cladding in nuclear power reactors due to their thermal stability, mechanical durability, corrosion resistance, and low neutron absorption cross-section. However, their performance is challenged by oxidation in reactor environments, making the study of Zr alloy corrosion behavior crucial for ensuring the safety, longevity, and economic viability of nuclear power systems. While the oxidation behavior of Zr-based cladding materials has been extensively studied since the 1950s, a mechanistic understanding into the relationship between structure evolution, solute element redistribution, and properties remains elusive. Valuable insights may be obtained through advanced experimental methods, such as in-situ and high resolution microscopy techniques. Here, in this study, the oxidation behavior of Zircaloy-4 at 500 °C in O 2 is characterized using a multimodal advanced characterization approach. Using in-situ X-ray diffraction, the phase evolution from metastable to stable oxides is tracked in real time. Complementary high-resolution techniques, including electron microscopy and atom probe tomography, reveal nanoscale insights into the microstructural changes and solute redistribution across the oxide/metal interface. Nanohardness mapping across the oxide/metal interface highlights localized mechanical property variations that may be linked to changes in microstructure and crystal structure within the oxide layer. These findings offer valuable insights into the microstructure and property evolution of Zircaloy-4 during oxidation, contributing to a better understanding of microstructural changes in Zr-based alloys under oxidative environments.

APT↗

Digital Image Correlation Engine v.3.0

DICe is an open source digital image correlation (DIC) tool intended for use as a module in an external application or as a standalone analysis code. It's primary capability is computing full-field displacements and strains from sequences of digital These images are typically of a material sample undergoing a materials characterization experiment, but DICe is also useful for other applications (for example, trajectory tracking). DICe is machine portable (Windows, Linux and Mac) and can be effectively deployed on a high performance computing platform. Capabilities from DICe can be invoked through a library interface, via source code integration of DICe classes or through a graphical user interface.

Turner, Dan↗