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At least 361 records · Page 20

Selective growth of Ni4Ti3 precipitate variants induced by complicated cyclic stress during laser additive manufacturing of NiTi-based composites

Highlights: • The NiTi-based composites were in-situ synthesized by SLM. • Ni{sub 4}Ti{sub 3} could tailor the phase transformation temperature of TiC/NiTi composites. • A three-dimensional stress field modeling of TiC/NiTi composites was established. • The relationship between growth of Ni{sub 4}Ti{sub 3} variants and cyclic stress was disclosed. - Abstract: NiTi-based composites were in-situ synthesized by selective laser melting (SLM) additive manufacturing technology with formation of a great many Ni{sub 4}Ti{sub 3} precipitates. The differential scanning calorimetry (DSC) were carried out to exhibit the similar phase transformation temperature (A{sub s} = 51.82 °C, A{sub f} = 94.02 °C, M{sub s} = 55.87 °C and M{sub f} = 18.93 °C) by comparing with that of SLM-fabricated equi-atomic NiTi alloy, which could be attributed to the compensation of Ni{sub 4}Ti{sub 3} precipitates for the effect of an addition of TiC particles. Three different Ni{sub 4}Ti{sub 3} precipitate variants ((111){sub R}//(1 1-bar 1-bar ){sub B2}, (111){sub R}//( 1-bar 1-bar 1){sub B2}, and (111){sub R}//( 1-bar 1 1-bar ){sub B2}) with various precipitate diameters were observed within SLM fabricated part, showing apparently selective growth behavior. By high-resolution transmission electron microscopy, severe lattice defects formed surrounding the smaller variant, while relatively intact lattice structure was found around the larger one, which indicated that high strain energy was produced in the interface between the matrix and the smaller variant. Furthermore, finite element simulation method was applied to disclose the evolution features of complicated cyclic stress during SLM processing of TiC/NiTi composites. By predicting, the main constraint mode within as-fabricated track was tensile stress effect. Based on the redistribution behavior of thermal stress and the coupling effect between the thermal stress and strain field induced by Ni{sub 4}Ti{sub 3} precipitate, the selective growth mechanism of Ni{sub 4}Ti{sub 3} variant was revealed.

36 MATERIALS SCIENCE↗

Structural basis for breadth development in the HIV-1 V3-glycan targeting DH270 antibody clonal lineage

Antibody affinity maturation enables adaptive immune responses to a wide range of pathogens. In some individuals broadly neutralizing antibodies develop to recognize rapidly mutating pathogens with extensive sequence diversity. Vaccine design for pathogens such as HIV-1 and influenza has therefore focused on recapitulating the natural affinity maturation process. Here, we determine structures of antibodies in complex with HIV-1 Envelope for all observed members and ancestral states of the broadly neutralizing HIV-1 V3-glycan targeting DH270 antibody clonal B cell lineage. These structures track the development of neutralization breadth from the unmutated common ancestor and define affinity maturation at high spatial resolution. By elucidating contacts mediated by key mutations at different stages of antibody development we identified sites on the epitope-paratope interface that are the focus of affinity optimization. Thus, our results identify bottlenecks on the path to natural affinity maturation and reveal solutions for these that will inform immunogen design aimed at eliciting a broadly neutralizing immune response by vaccination.

60 APPLIED LIFE SCIENCES↗

Human-in-the-Loop Motion Control of a Two-DOF Hydraulic Backhoe Powered by the Hybrid Hydraulic Electric Architecture (HHEA)

Abstract The Hybrid Hydraulic-Electric Architecture (HHEA) combines the respective power density and control advantages of hydraulic and electric actuation to save energy for off-road vehicles. It uses a set of selectable common pressure rails to transmit the majority of power and electric actuation to modulate that power. As it is critical that off-road vehicles can perform tasks dexterously and exactly as commanded by the operator, the switchings between discrete pressure rails pose a potential challenge for smooth and precise motion. A control strategy consisting of a backstepping nominal control and least norm transition control has previously been developed to address this issue. It has been tested on 1 degree of freedom (DOF) testbeds where known trajectories were able to be tracked precisely. This paper presents the implementation of the HHEA motion control strategy on a 2-DOF backhoe operated by a human operator via a 2-DOF joystick. Unlike previous studies, the duty cycle is unknown beforehand and the decision to change pressure rails is taken in real-time. The efficacy of the motion control strategy has been validated experimentally. Several strategies to improve the user interface: control in workspace coordinates, pressure feedback, and velocity field-based task specification, have also been implemented and demonstrated to make operating the multiple DOF, HHEA actuated machine more intuitive to novice operators.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Development of a Computational Framework for Multiphysics Multiphase Species Tracking using NEAMS Tools

This report implements a high-fidelity multiphysics modeling framework using the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program tools to track isotopic species in Molten Salt Reactors (MSRs), with a specific focus on the 91-depletion chain within the Molten Salt Reactor Experiment (MSRE). The model integrates neutronics, thermal-hydraulics, depletion, and thermochemistry to simulate the production, transport, and phase transitions of isotopes under steady-state and transient conditions. The main findings reveal that isotopes such as bromine-91 largely remain in the liquid phase, while others, including krypton-91and yttrium-91, transition to the gas phase, significantly influencing the reactor’s radiological source term. The study also shows that during transients, like a reactivity insertion transient, rapid void formation and the expansion of the liquid-gas interface led to substantial transfers of dissolved isotopes into the gas phase, altering isotope distribution and largely increasing the source term in the off-gas system. Additionally, the research highlights that short-lived isotopes dominate the initial off-gas response during transients, while longer-lived isotopes determine the equilibrium state, underscoring the necessity of dynamic simulations for accurate species tracking and reactor safety analysis. The developed methodology will be applied in the future to the tracking of a larger number of species and introduce other species tracking mechanisms, such as deposition and plating.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Automated metadata, provenance cataloging and navigable interfaces: ensuring the usefulness of extreme-scale data

The MPO (Metadata, Provenance, Ontology) Project successfully addressed the goal of improving the usefulness and traceability of scientific data by building a system that could capture and display all steps in the process of creating, analyzing and disseminating that data. Throughout history, scientists have generated handwritten logbooks to keep track of data, their hypotheses, assumptions, experimental setup, and computational processes as well as reflections on observations and issues encountered. Over the last several decades, with the growth of personal computers, handheld devices, and the World Wide Web, the handwritten logbook has begun to be replaced by electronic logbooks. This transition has brought increased capability such as supporting multi-media, hypertext, and fast searching. However, content creation and metadata (a set of data that describes and gives information about other data) capturing has for the most part remained a manual activity just as it was with handwritten logbooks. This has led to a fragmentation of data, processing, and annotation that has only accelerated as scientific workflows continue to increase in complexity. From a scientific perspective, it is very important to be able to understand the lineage of any piece of data: who, what, when, how, and why. This is typically referred to as data provenance. The fragmentation discussed previously often means that data provenance is lost. As scientific workflows move to powerful computers and become more complex, the ability to track all of the steps involved in creating a piece of data become even more difficult. It was the goal of the MPO (Metadata, Provenance, Ontology) Project to create a system (the MPO System) that allows for automatic provenance and metadata capturing in such a way to allow easy searching and browsing. This goal needed to be accomplished in a general way so that it may be used across a broad range of scientific domains, yet allow the addition of vocabulary (Ontology) that is domain specific as is required for intelligent searching and browsing in the scientific context. Through the creation and deployment of the MPO system, the goals of the project were achieved. An enhanced metadata, provenance, and ontology storage system was created. This was combined with innovative methodologies for navigating and exploring these data using a web browser for both experimental and simulation-based scientific research. In addition, a system to allow scientists to instrument their existing workflows for automatic metadata and provenance is part of the MPO system. In that way, a scientist can continue to use their existing methodology yet easily document their work. Workflows and data provenance can be displayed either graphically or in an electronic notebook format and support advanced search features including via ontology. The MPO system was successfully used in both Climate and Magnetic Fusion Energy Research. The software for the MPO system is located at https://github.com/MPO-Group/MPO and is open source distributed under the Revised BSD License. A demonstration site of the MPO system is open to the public and is available at https://mpo.psfc.mit.edu/. A Docker container release of the command line client is available for public download using the command docker pull jcwright/mpo-cli at https://hub.docker.com/r/jcwright/mpo-cli.

97 MATHEMATICS AND COMPUTING↗

Plasma surface ionization wave interactions with single channels

Abstract The study of plasma surface ionization waves (SIWs) in recent years has primarily focused on planar surfaces and periodic two dimensional structures. In application, substrates are likely to have non-planar morphology such as cracks, pores, and steps. Additionally, targets for the applications of medicine or catalysis may have targets with heterogeneous composition. This classification of targets are brought under the umbrella of complex interfaces. In this work, plasma SIWs were incident on a complex target consisting of a single channel cut into glass slides. The SIW velocities for the in-channel portion of the wave and radially propagating portion of the wave were tracked. It was found that surface wave velocities are not significantly affected by channel geometry, but primarily increase with pulse energy. A third propagation direction for the SIW is characterized in the azimuthal direction relative to the radial portion of the wave. Channel geometry is found to greatly effect the area treated by the plasma but not the propagation velocity of the surface wave. Surface wave morphology and the impact on application is also discussed. A simple model was introduced to understand the mechanisms behind SIW escape from a channel. It was found that the ratio of pulse energy to a geometry dependent minimum energy can predict the escape angle of a SIW from single channels.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of a FELIX based readout system for ITk strip hybrid module demonstrator for ATLAS Phase-II Upgrade

The Large Hadron Collider (LHC) will undergo a major upgrade around 2024 with a roughly tenfold increase in luminosity. It results in corresponding increases in particle rates and radiation doses that the current ATLAS Inner Tracking Detector cannot cope with. Therefore the ATLAS experiment will build a new all-silicon tracking system called the ITk (Inner Tracker) that includes an inside pixel detector close to the beam line and a strip detector in outside layer. Meanwhile the ATLAS experiment will adopt the Front-End Link eXchange (FELIX) system as the interface between the data acquisition and front-end electronics for all sub-detectors in the Phase II Upgrade. In this contribution, we present a prototype of FELIX based readout system for the strip hybrid module. Its hardware, firmware and software GUI application will be discussed, as well as integration test results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Chemical Asset Tracker (CAT)

The Chemical Asset Tracker, CAT, is a web-based (browser) application for tracking chemical inventories. The application records information about stored chemicals from user input (via the keyboard, barcode readers, or mobile device) and stores that information into a database. A tiered user login controls access to functions in the application. A user interface is provided that allows users to search the database and update data in the database. SAND2019-7525 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Bolles, Jason↗

ML-based Real-Time Control at the Edge: An Approach Using hls4ml

This study focuses on implementing a real-time control system for a particle accelerator facility that performs high energy physics experiments. A critical operating parameter in this facility is beam loss, which is the fraction of particles deviating from the accelerated proton beam into a cascade of secondary particles. Accelerators employ a large number of sensors to monitor beam loss. The data from these sensors is monitored by human operators who predict the relative contribution of different sub-systems to the beam loss. Using this information, they engage control interventions. In this paper, we present a controller to track this phenomenon in real-time using edge-Machine Learning (ML) and support control with low latency and high accuracy. We implemented this system on an Intel Arria 10 SoC. Optimizations at the algorithm, high-level synthesis, and interface levels to improve latency and resource usage are presented. Our design implements a neural network, which can predict the main source of beam loss (between two possible causes) at speeds up to 575 frames per second (fps) (average latency of 1.74 ms). The practical deployed system is required to operate at 320 fps, with a 3ms latency requirement, which has been met by our design successfully.

Shi, R.↗

A new deadlock resolution protocol and message matching algorithm for the extreme-scale simulator

Investigating the performance of parallel applications at scale on future high-performance computing (HPC) architectures and the performance impact of different HPC architecture choices is an important component of HPC hardware/software co-design. The Extreme-scale Simulator (xSim) is a simulation toolkit for investigating the performance of parallel applications at scale. xSim scales to millions of simulated Message Passing Interface (MPI) processes. The overhead introduced by a simulation tool is an important performance and productivity aspect. This paper documents two improvements to xSim: (1)~a new deadlock resolution protocol to reduce the parallel discrete event simulation overhead and (2)~a new simulated MPI message matching algorithm to reduce the oversubscription management overhead. The results clearly show a significant performance improvement. The simulation overhead for running the NAS Parallel Benchmark suite was reduced from 102% to 0% for the embarrassingly parallel (EP) benchmark and from 1,020% to 238% for the conjugate gradient (CG) benchmark. xSim offers a highly accurate simulation mode for better tracking of injected MPI process failures. Furthermore, with highly accurate simulation, the overhead was reduced from 3,332% to 204% for EP and from 37,511% to 13,808% for CG.

97 MATHEMATICS AND COMPUTING↗

Efficient Charge Extraction and Slow Recombination in Organic-Inorganic Perovskites Capped with Semiconducting Single-Walled Carbon Nanotubes

Metal-halide based perovskite solar cells have rapidly emerged as a promising alternative to traditional inorganic and thin-film photovoltaics. Although charge transport layers are used on either side of perovskite absorber layers to extract photogenerated electrons and holes, the time scales for charge extraction and recombination are poorly understood. Ideal charge transport layers should facilitate large discrepancies between charge extraction and recombination rates. Here, we demonstrate that highly enriched semiconducting single-walled carbon nanotube (SWCNT) films enable rapid (sub-picosecond) hole extraction from a prototypical perovskite absorber layer and extremely slow back-transfer and recombination (hundreds of microseconds). The energetically narrow and distinct spectroscopic signatures for charges within these SWCNT thin films enables the unambiguous temporal tracking of each charge carrier with time-resolved spectroscopies covering many decades of time. The efficient hole extraction by the SWCNT layer also improves electron extraction by the compact titanium dioxide electron transport layer, which should reduce charge accumulation at each critical interface. Finally, we demonstrate that the use of thin interface layers of semiconducting single-walled carbon nanotubes between the perovskite absorber layer and a prototypical hole transport layer improves device efficiency and stability, and reduces hysteresis.

14 SOLAR ENERGY↗

SOLAR MICRO-TYPE III BURST STORMS AND LONG DIPOLAR MAGNETIC FIELD IN THE OUTER CORONA

Solar micro-type III radio bursts are elements of the so-called type III storms and are characterized by short-lived, continuous, and weak emissions. Their frequency of occurrence with respect to radiation power is quite different from that of ordinary type III bursts, suggesting that the generation process is not flare-related, but due to some recurrent acceleration processes around the active region. We examine the relationship of micro-type III radio bursts with coronal streamers. We also explore the propagation channel of bursts in the outer corona, the acceleration process, and the escape route of electron beams. It is observationally confirmed that micro-type III bursts occur near the edge of coronal streamers. The magnetic field line of the escaping electron beams is tracked on the basis of the frequency drift rate of micro-type III bursts and the electron density distribution model. The results demonstrate that electron beams are trapped along closed dipolar field lines in the outer coronal region, which arise from the interface region between the active region and the coronal hole. A 22 year statistical study reveals that the apex altitude of the magnetic loop ranges from 15 to 50 R{sub S}. The distribution of the apex altitude has a sharp upper limit around 50 R{sub S} suggesting that an unknown but universal condition regulates the upper boundary of the streamer dipolar field.

79 ASTRONOMY AND ASTROPHYSICS↗

Nanomotor-enhanced transport of passive Brownian particles in porous media

Artificial micro/nanomotors are expected to perform tasks in interface-rich and species-rich environments for biomedical and environmental applications. In these highly confined and interconnected pore spaces, active species may influence the motion of coexisting passive participants in unexpected ways. Using three-dimensional super-resolution single-nanoparticle tracking, we observed enhanced motion of passive nanoparticles due to the presence of dilute well-separated nanomotors in an interconnected pore space. This enhancement acted at distances that are large compared to the sizes of the particles and cavities, in contrast with the insignificant effect on the passive particles with the same dilute concentration of nanomotors in an unconfined liquid. Experiments and simulations suggested an amplification of hydrodynamic coupling between self-propelled and passive nanoparticles in the interconnected confined environment, which enhanced the effective energy for passive particles to escape cavities through small holes. This finding represents an emergent behavior of confined nanomotors and suggests new strategies for the development of antifouling membranes and drug delivery systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Sub-Libraries in ORIGEN

Libraries produced for the ORIGEN depletion code have the ability to label nuclides with a sublibrary integer tag. While this is useful for tracking different sources of the nuclides, it adds some complexity, increasing memory usage and computational effort. This report documents the effort of making the sublibraries optional in an ORIGEN calculation, with a focus on the creation of libraries using the LibraryBuilder application programming interface (API). ORIGEN will gain the ability to either use the normal sublibrary set, a reduced, unique, sublibrary set, or no sublibrary at all.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Experimental Determination of PV Inverter Response to Grid Phase Shift Events: Preprint

With the continued growth of renewable energy resources which interface to the electric grid via inverters, the understanding of such devices becomes ever more important to the safe and reliable operation of the bulk power system. This work investigates the specific response of a utility-scale PV inverter to grid voltage phase shift-type disturbances which sometimes occur during grid fault events. The role of the PV inverter's phase-locked-loop (PLL) is identified as important to modeling the response. Switching-level simulations of a utility-scale PV inverter with a modeled PLL show a characteristic response when phase shift disturbances require the PLL to track what appear as fast frequency changes. Additionally, in this work a full-scale laboratory testing was carried out using the Opal real time (RT) OP5142 real time simulator and a large grid simulator to create phase shift disturbances with a high degree of repeatability. A photovoltaic (PV) inverter was connected to a grid simulator, and phase shifts were instantaneously implemented on the simulated grid, the results of the currents were then obtained. The experimental results obtained were validated with simulation results obtained from MATLAB/Simulink.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Microstructure prediction for Ti-22Al-25Nb in laser powder bed fusion

This work presents a physics-informed framework for predicting solidification morphology and defect susceptibility in additively manufactured Ti–22Al–25Nb across a broad processing space. The framework integrates solidification microstructure selection (SMS) analysis with a single-track defect-based printability map to establish a unified methodology linking processing parameters to both interfacial morphology and manufacturability. Thermal gradients G and solidification rates R are first computed using the Thermo-Calc Additive Manufacturing (TC-AM) module, a finite-interface-dissipation (FID) phase-field (PF) model coupled with CALPHAD method is then employed to systematically distinguish planar and dendritic regimes as functions of $G$ and $R$. By superimposing the printability map onto the morphology projections, a comprehensive process–structure framework is obtained. Across most processing conditions, the predicted microstructure is predominantly dendritic, while planar growth emerges only under selected laser power $P$ and scan speed $v$ combinations. In addition to morphology classification, the framework quantifies the dendritic area fraction and introduces a width-based morphology descriptor to characterize the spatial extent of planar/dendritic regions within the melt pool. It provides mechanistic insight into the interplay between solidification physics and defect formation, offering practical guidance for parameter selection and microstructural control in Ti–22Al–25Nb additive manufacturing (AM).

36 MATERIALS SCIENCE↗

The Heavy Photon Search (HPS) Software Environment

The Heavy Photon Search (HPS) is an experiment at the Thomas Jefferson National Accelerator Facility (JLab) designed to search for a hidden sector photon (A’) in fixed-target electro-production. It uses a silicon microstrip tracking and vertexing detector placed inside a dipole magnet to measure charged particle trajectories and a fast lead-tungstate crystal calorimeter located just downstream of the magnet to provide a trigger and to identify electromagnetic showers. The HPS experiment uses both invariant mass and secondary vertex signatures to search for the A’. The experimental collaboration is small and quite heterogeneous: it is composed of members of the nuclear physics as well as particle physics communities, from universities and national labs from around the US and Europe. Enabling such a disparate group to concentrate on the physics aspects of the experiment required that the software be easy to install and use, and having such limited manpower meant that existing solutions had to be exploited. HPS has successfully completed two engineering runs and completed its first physics run in the summer of 2019. We begin with an overview of the physics goals of the experiment followed by a short description of the detector design. We then describe the software tools used to design the detector layout and simulate the expected detector performance. Event reconstruction involving track, cluster and vertex finding and fitting for both simulated and real data was, to first order, adopted from existing software originally developed for Linear Collider studies. Bringing it all together into a cohesive whole involved the use of multiple software solutions with common interfaces.

Graf, Norman↗

Enabling the democratization of the genomics revolution with a fully integrated web-based bioinformatics platform, Version 1.5 and 1.x.

EDGE bioinformatics was developed to help biologists process Next Generation Sequencing data (in the form of raw FASTQ files), even if they have little to no bioinformatics expertise. EDGE is a highly integrated and interactive web-based platform that is capable of running many of the standard analyses that biologists require for viral, bacterial/archaeal, and metagenomic samples. EDGE provides the following analytical workflows: quality trimming and host removal, assembly and annotation, comparisons against known references, taxonomy classification of reads and contigs, whole genome SNP-based phylogenetic analysis, and PCR analysis. EDGE provides an intuitive web-based interface for user input, allows users to visualize and interact with selected results (e.g. JBrowse genome browser), and generates a final detailed PDF report. Results in the form of tables, text files, graphic files, and PDFs can be downloaded. A user management system allows tracking of an individual’s EDGE runs, along with the ability to share, post publicly, delete, or archive their results.

Chain, Patrick↗