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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

NiAl Oxidation Reaction Processes Studied In Situ Using MEMS-Based Closed-Cell Gas Reaction Transmission Electron Microscopy

The nanoscale oxidation mechanisms and kinetics of a model β-NiAl system were investigated using in situ closed-cell gas reaction scanning transmission electron microscopy (STEM). Here, we directly visualize the dynamic structural and chemical changes that occur during high-temperature oxidation at a high spatial resolution of 50.3Ni–49.7Al (at.%) nanoparticles under static air conditions at 730 Torr with heating up to 750 °C at 5 °C/s. A MEMS-based gas cell system, with microfabricated heater devices and a gas delivery system, was used to reveal site-specific oxidation initiation sites. Through time-resolved annular dark-field STEM imaging, we tracked the nanoscale oxidation kinetics of Al 2 O 3 . After oxidation at 750 °C, nucleation of voids at the Ni/Al 2 O 3 interface was observed along a NiAl grain boundary, followed by the formation of faceted NiO crystals. Small faceted cubic crystals of NiO were formed at the initial stage of oxidation at high PO 2 due to the outward self-diffusion of Ni 2+ ions, followed by the formation of a mixture of metastable and stable α-Al 2 O 3 at the oxide/metal interface that is attributed to a PO 2 decrease with oxidation time, which agreed with thermodynamic modeling calculations. Furthermore, the results from these in situ oxidation experiments in the β-NiAl system are in agreement with the established oxidation mechanisms; however, with in situ closed-cell gas microscopy it is now feasible to investigate nanoscale oxidation mechanisms and kinetics in real time and at high spatial resolution and can be broadly applied to understand the basic high-temperature oxidation mechanisms for a wide range of alloy compositions.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Waste Information Management System v. 1.0

WIMS is a functional interface to an Oracle database for managing the required regulatory information about the handling of Hazardous Waste. WIMS does not have a component to track Radiological Waste data. And it does not have the ability to manage sensitive information.

Bustamante, David G.↗
DOE OSTI2016

Direct observation of ice nucleation events on individual atmospheric particles

Heterogeneous ice nucleation is a physical chemistry process of critical relevance to a range of topics in the fundamental and applied sciences and technologies. Heterogeneous ice nucleation remains insufficiently understood, partially due to the lack of experimental methods capable of obtaining in situ microscopic details of ice formation over nucleating substrates or particles. Here, we present microscopic observations of ice nucleation events on kaolinite particles at the nanoscale and demonstrate the capability of direct tracking and micro-spectroscopic characterization of individual ice nucleating particles (INPs) in an authentic atmospheric sample. Furthermore, this approach utilizes a custom-built ice nucleation cell, interfaced with an Environmental Scanning Electron Microscope (IN-ESEM platform) operated at temperatures and relative humidities relevant for heterogeneous ice nucleation. The IN-ESEM platform allows dynamic observations of individual ice formation events over particles in isobaric and isothermal experiments. Isothermal experiments on individual kaolinite particles demonstrate that ice crystals preferably nucleate at the edges of the stacked kaolinite platelets, rather than on their basal planes. Finally, these experimental observations of the location of ice nucleation provide direct information for further theoretical chemistry predictions of ice formation on kaolinite.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Probing Heterogeneous Charge Distributions at the α-Al 2 O 3 (0001)/H 2 O Interface

Unlike metal or semiconductor electrodes, the surface charge resulting from the protonation or deprotonation of insulating mineral oxides is highly localized and heterogeneous in nature. In this work the Stark active C≡N stretch of potassium thiocyanate is used as a molecular probe of the heterogeneity of the interfacial electrostatic potential at the α-Al 2 O 3 (0001)/H 2 O interface. Vibrational sum frequency generation (vSFG) measurements performed in the OH stretching region suggest that thiocyanate species organize interfacial water similarly to halide ions. Changes in the electrostatic potential are then tracked via Stark shifts of the vibrational frequency of the thiocyanate stretch. Our vSFG measurements show that we can simultaneously measure the vSFG response of SCN – ions experiencing charged and neutral surface sites. We assign local potentials of +308 and -154 mV to positively and negatively charged aluminol groups that are present at pH = 4 and pH = 10, respectively. Thiocyanate anions at positively charged surface sites and negatively charged surface sites and those participating in contact ion pairing adopt similar orientations and are oppositely oriented relative to thiocyanate ions near neutral surface sites. All four species followed Langmuir adsorption isotherms. Density functional theory–molecular dynamics (DFT-MD) simulations of SCN – near the neutral α-Al 2 O 3 (0001)/H 2 O interface show that the vSFG response in the C≡N stretch region originates from a SCN–H–O–Al complex, suggesting the surface site specificity of these experiments. To our knowledge this is the first spectroscopic measurement of local potentials associated with a heterogeneously charged surface. The ability to probe the evolution of local charges in situ could provide vital insight into many industrial, electrochemical, and geochemically relevant interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

ATCA-based ATLAS FTK input interface system

The first stage of the ATLAS Fast TracKer (FTK) is an ATCA-based input interface system, where hits from the entire silicon tracker are clustered and organized into overlapping eta-phi trigger towers before being sent to the tracking engines. First, FTK Input Mezzanine cards receive hit data and perform clustering to reduce data volume. Then, the ATCA-based Data Formatter system will organize the trigger tower data, sharing data among boards over full mesh backplanes and optic fibers. The board and system level design concepts and implementation details, as well as the operation experiences from the FTK full-chain testing, will be presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Virtual FPGA management and optimization system

A macro scheduler includes a resource tracking module configured to update a database enumerating a plurality of macro components of a set of field programmable gate array (FPGA) devices, a communication interface configured to receive from a first client device a first design definition indicating one or more specified macro components for a design, resource allocation logic configured to allocate a first set of macro components for the design by allocating one of the plurality of macro components for each of the one or more specified macro components indicated in the first design definition, and configuration logic configured to implement the design in the set of FPGA devices by configuring the first set of allocated macro components according to the first design definition.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Transport of polymer-coated metal–organic framework nanoparticles in porous media

Abstract Injecting fluids into deep underground geologic structures is a critical component to development of long-term strategies for managing greenhouse gas emissions and facilitating energy extraction operations. Recently, we reported that metal–organic frameworks are low-frequency, absorptive-acoustic metamaterial that may be injected into the subsurface to enhance geophysical monitoring tools used to track fluids and map complex structures. A key requirement for this nanotechnology deployment is transportability through porous geologic media without being retained by mineral-fluid interfaces. We used flow-through column studies to estimate transport and retention properties of five different polymer-coated MIL-101(Cr) nanoparticles (NP) in siliceous porous media. When negatively charged polystyrene sulfonate coated nanoparticles (NP-PSS-70K) were transported in 1 M NaCl, only about 8.4% of nanoparticles were retained in the column. Nanoparticles coated with polyethylenimine (NP-PD1) exhibited significant retention (> 50%), emphasizing the importance of complex nanoparticle-fluid-rock interactions for successful use of nanofluid technologies in the subsurface. Nanoparticle transport experiments revealed that nanoparticle surface characteristics play a critical role in nanoparticle colloidal stability and as well the transport.

58 GEOSCIENCES↗
DOE OSTI2020

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↗
DOE OSTI2025

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↗
DOE OSTI2026

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↗
DOE OSTI2020

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↗
DOE OSTI2017

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↗
DOE OSTI2020

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↗
DOE OSTI2025

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↗
DOE OSTI2015

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↗
DOE OSTI2026

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↗
DOE OSTI2016

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↗
DOE OSTI2018

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↗