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At least 433 records · Page 24

STITCHES: a Python package to amalgamate existing Earth system model output into new scenario realizations

Understanding the interaction between humans and the Earth system is a computationally daunting task, with many possible approaches depending on resources available and questions of interest. For example, state-of-the-art impact models require decade-long time series of relatively high frequency, spatially resolved and often multiple variables representing climatic impact-drivers (Ruane et al., 2022). Most commonly these are derived from the outputs of detailed, computationally expensive Earth System Models (ESMs) run according to a standard, limited set of future scenarios, the latest being the SSP-RCPs run under CMIP6/ScenarioMIP (Eyring et al., 2016; O’Neill et al., 2016). At the time of writing, O’Neill et al. (2016) has been cited more than 1750 times and Eyring et al. (2016) more than 5000 times, highlighting the broad, general applications of this data. Often, however, impact modeling seeks to explore new scenarios that were not part of the ScenarioMIP protocol, and/or needs a larger set of initial condition ensemble members than are typically available to quantify the effects of ESM internal variability. In addition, the recognition that the human and Earth systems are fundamentally intertwined, and may feature potentially significant feedback loops, is making integrated, simultaneous modeling of the coupled human-Earth system increasingly necessary, if computationally challenging with most existing tools (Thornton et al., 2017). For impact modelers, climate model emulators can be the answer to meet both the needs of: 1) creating realizations for novel scenarios and 2) achieving a simplified, computationally tractable representation of ESM behavior in a coupled human-Earth system modeling framework. We proposed a new, comprehensive approach to such emulation of gridded, multivariate ESM outputs for novel scenarios without the computational cost of a full ESM, STITCHES (Tebaldi et al., 2022). The approach outlined in Tebaldi et al. (2022) should be extensible to future CMIP eras, although the STITCHES software at present is strictly focused on CMIP6/ScenarioMIP data hosted on Pangeo (https://gallery.pangeo.io/repos/pangeo-gallery/cmip6/). The corresponding STITCHES Python package uses existing archives of ESMs’ scenario experiments from CMIP6/ScenarioMIP to construct gridded, multivariate realizations of new scenarios provided by reduced complexity climate models (Hartin et al., 2015; Meinshausen et al., 2011; Smith et al., 2018), or to enrich existing initial condition ensembles. Its output provides the same characteristics as the emulated ESM output: multivariate (spanning potentially all variables that the ESM has saved), spatially resolved (down to the native grid of the ESM), and preserving the same high frequency as the original data. A new realization of multiple variables can be generated on the order of minutes with STITCHES, rather than the hours or sometimes days that ESMs require.

97 MATHEMATICS AND COMPUTING↗

xesn: Echo state networks powered by Xarray and Dask

Xesn is a Python package that allows scientists to easily design Echo State Networks (ESNs) for forecasting problems. ESNs are a Recurrent Neural Network architecture introduced by Jaeger (2001) that are part of a class of techniques termed Reservoir Computing. One defining characteristic of these techniques is that all internal weights are determined by a handful of global, scalar parameters, thereby avoiding problems during backpropagation and reducing training time significantly. Because this architecture is conceptually simple, many scientists implement ESNs from scratch, leading to questions about computational performance. Xesn offers a straightforward, standard implementation of ESNs that operates efficiently on CPU and GPU hardware. The package leverages optimization tools to automate the parameter selection process, so that scientists can reduce the time finding a good architecture and focus on using ESNs for their domain application. Importantly, the package flexibly handles forecasting tasks for out-of-core, multi-dimensional datasets, eliminating the need to write parallel programming code. Xesn was initially developed to handle the problem of forecasting weather dynamics, and so it integrates naturally with Python packages that have become familiar to weather and climate scientists such as Xarray (Hoyer & Hamman, 2017). However, the software is ultimately general enough to be utilized in other domains where ESNs have been useful, such as in signal processing (Jaeger & Haas, 2004).

97 MATHEMATICS AND COMPUTING↗

Additively Manufactured, Lightweight, Low-Cost Composite Vessels for Compressed Natural Gas Fuel Storage

This project will develop a process to combine AM via direct ink writing (DIW) technology for CFC printing and to use design optimization tools pioneered at LLNL, with advances in resin/composite formulation enabled by chemical and nano-material modification to produce lightweight low-cost CNG tanks. Our approach will yield sub-scale prototype composite pressure tanks equivalent to Type-5 CNG vessel designs that demonstrate a potential cost-benefit advantage. Central to our vision is using agile AM and design based on computationally informed DIW of both short and continuous CF, further coupled with high-performance thermoset polymer matrixes modified by emergent nanomaterials. Our single-stage, multi-material AM technology, combined with a decreased volume fraction of CF and an increased proportion of economically advantaged short fiber, all together drive the reduction in manufacturing time and overall cost. Importantly, reductions in continuous fiber and overall fiber volume fraction will be achieved without detriment to the mechanical strength of the composite vessel. This will be achieved by employing a single process using multi materials grading involving a thermoset resin “ink” modified with aligned nanoplatelets to leverage the efficient tortuous-path gas barrier effect, printed as an inner flexible gas barrier as the initial stage in our manufacturing process before compositionally grading the AM feedstock in real-time to transition to a rigid, structural CF-filled resin. The proposed hybrid construction is projected to achieve pressure ratings at a service range of 2,900–3,600 psi with a 3× burst safety factor comparable to conventional filament-wound composite tanks with an estimated 30–50% reduction in total manufacturing cost.

03 NATURAL GAS↗

Project PARETO—DOE’s Produced Water Optimization Initiative

The Texas Produced Water Consortium invited Project PARETO to contribute a write-up about the project to an update report they are preparing for the Texas legislature. The article we have prepared presents a high-level overview of the PARETO produced water management framework, and includes sections dedicated to going into more detail about PARETO’s strategic model and water sharing portals (AquaShare and AquaTrade).

97 MATHEMATICS AND COMPUTING↗

A Python Script to Read MCNP6.3 Surface-Source Files

This report provides a Python script to read an MCNP ® surface source file created with the SSW card with SYM = 0 (i.e., the default symmetry treatment). For background: the general format of an MCNP surface-source file is described in; however, that document did not provide coding and/or a tool to interrogate such files. The current format will not be given in this document other than through the record-read statements necessary for the script to function. The reader capability in this report is augmented with the ability to directly write a couple demonstrative outputs: 1. A comma-separated value (CSV) file containing particle phase-space state information and 2. A Matplotlib histogram of the energy distribution of the particles. This report also describes accompanying verification work that shows the script performing as required with MCNP6.2, MCNP6.3, and (expected) MCNP6.4 surface-source files. However, users of the enclosed script must still verify that the script is behaving correctly for their own work.

97 MATHEMATICS AND COMPUTING↗

Initial Testing of an In Situ Load Retention Aging Vessel

A thermal aging vessel instrumented with load cells was fabricated. The primary function of the vessel is to continuously monitor the in situ load retention of up to three compressed polymer coupons undergoing thermally accelerated aging under nitrogen. A secondary function is to enable gas sampling of the vessel headspace during thermal aging. Heating of the vessel is achieved using a custom heater jacket. To improve upon our conventional aging study methods which require periodic interruption of aging to perform load testing in an Instron machine at room temperature, this technology aims to automate/facilitate data acquisition/analysis, improve data quality, and enable uninterrupted compression of the polymer which represents the service condition. As an example case to assess functionality of the in situ vessel, the load retention of a siloxane elastomer material additively manufactured by direct-ink-writing (DIW) was measured at three different isothermal aging temperatures for ~1 month. Initial compression of the coupons while near the aging temperature was achieved by temporarily opening the heated vessel to access the interior chamber and manually tightening four nuts to drive the heated compression plate down onto the heated coupons. Initial testing demonstrated achievement of the primary load retention monitoring function. Unfortunately, the vessel leaked which prevented gas sampling; an active purge was used to maintain a nitrogen atmosphere. Welded or otherwise sealed joints, which could be implemented in a future design, would likely eliminate leak paths. To apply time-temperature superposition (TTS), a technique used to provide long-term prediction of the load retention from short-term isothermal data, the load retention needed to be calculated relative to the load at an estimated “equilibrium” time, after most of the transient viscoelastic physical relaxation occurred. The peak load immediately after compression could not be used as the load retention basis for two reasons: (1) age-related changes must be isolated from non-age-related physical relaxation before applying TTS and (2) the manual mechanism used to compress the specimens at the aging temperature was neither smooth nor repeatable which affected the peak load value. To better understand the effect of the mode of initial compression on the measured load, and possibly better estimate “equilibrium” physical relaxation times, systematic stress relaxation experiments were performed using an Instron machine with a thermal chamber. At a given temperature, the DIW polymer was compressed to a fixed strain in either a stepped or continuous manner at two different rates, then held at that strain for 24 hrs. The results indicated that, at a given temperature, the different stress relaxation curves appeared to converge to the same curve at some “equilibrium” time when the non-age-related physical relaxation was mostly complete. Though this observation suggests that the discontinuous manual compression employed by the vessel is feasible, a compression mechanism that is rapid, smooth, and repeatable would enhance its use.

36 MATERIALS SCIENCE↗

Addressing Issues with Working Memory in Video Object Segmentation

Contemporary state-of-the-art video object segmentation (VOS) models compare incoming unannotated images to a history of image-mask relations via affinity or cross-attention to predict object masks. We refer to the internal memory state of the initial image-mask pair and past image-masks as a working memory buffer. While the current state of the art models perform very well on clean video data, their reliance on a working memory of previous frames leaves room for error. Affinity-based algorithms include the inductive bias that there is temporal continuity between consecutive frames. To account for inconsistent camera views of the desired object, working memory models need an algorithmic modification that regulates the memory updates and avoid writing irrelevant frames into working memory. A simple algorithmic change is proposed that can be applied to any existing working memory-based VOS model to improve performance on inconsistent views, such as sudden camera cuts, frame interjections, and extreme context changes. The resulting model performances show significant improvement on video data with these frame interjections over the same model without the algorithmic addition. Our contribution is a simple decision function that determines whether working memory should be updated based on the detection of sudden, extreme changes and the assumption that the object is no longer in frame. By implementing algorithmic changes, such as this, we can increase the real-world applicability of current VOS models.

97 MATHEMATICS AND COMPUTING↗

FY2024 Q4 L2 Milestone 8237 for Opacity-on-NIF

This document addresses parts 2 and 3 of the original milestone request. In the following writeup, the development of OpSpecTR at LLNL by LLNL and NNSS personnel will be detailed first, followed by a write-up of the development of Vme-resolved simulaVons of the opacity-on-NIF experiment. Capsule backlight simulaVons, hohlraum simulaVons, and sample simulaVons from CASSIO are combined to produce the line of sight from the capsule to an effecVve OpSpec posiVon. Spectra are generated by post-processing these simulaVons from either Spect3D, a commercial software by Prism ComputaVonal Sciences, or FESTR (Finite Element Spectroscopic Transport of RadiaVon), a LANL code. While the simulaVons do not at this stage proceed late enough to include the worst of the backgrounds generated from the hohlraum experimentally and each post-processing simulaVon includes only one ray for each spectrometer channel, these efforts represent proof of concept for a new capability to complete Vme-resolved and Vmegated simulaVons for the complete line of sight of the complex opacity-on-NIF geometry. Future work will be discussed at the end of the report for both efforts.

42 ENGINEERING↗

Platform for Remote Deployment and Training for Enhanced Building Operation Practices (Building Re-Tuning and On-going Commissioning)

While a building’s energy usage is driven largely by its design and use, building operator behavior has a strong influence on its energy consumption. This project developed and piloted a specific, data-driven coaching methodology to help operators understand how they can adjust operations and/or affect no/low-cost repairs or upgrades to their specific building HVAC systems to reduce energy consumption. Named BuildingCoach, the operational optimization method used is based on the Building Re-tuning approach developed by the Pacific Northwest National Laboratory. A building operations analytics market has matured over the past decade, though its potential to affect energy-saving changes has not been fully realized. Training operators to understand the methods for operational optimization with the explicit approach of using building-system performance data is hypothesized to create a more effective, longer lasting result in building energy efficiency, and this strategy is the fundamental premise of this project. With the support of an Industry Advisory Board, the project succeeded in developing materials and recruiting for and delivering three pilot cohorts. Deliverables included twenty-two self-paced training modules (accessed via a Learning Management System) and a web-based platform that includes access to real-time building system data and a repository for building system documentation. The project set out to have 100 participants from 50 buildings in three pilot cohorts. In the end, there were 28 participants from 17 buildings, i.e., a significant shortfall. The first two pilot cohorts had only two buildings in each, and this was partially due to difficulties in deploying the Building Operator Coaching Solution (“the BOCS”), which is technology that extracts the data from the controls network and presents it as prescribed for coaching. In the third cohort, the project team deployed the BOCS successfully to 13 buildings, the methodology was piloted as intended, and numerous opportunities for optimization were identified. The BuildingCoach business plan charts a path to an economically sustainable effort. However, even with a licensing model captured in the final version of the business plan, the scalability is still limited to keeping less than 1,000 buildings affected by 2033. Even so, there are unexplored paths to greater scalability that are being considered. CUNY BPL is working to perpetuate and grow the use of BuildingCoach. As of this writing, about twenty buildings have either been connected or will be connected with operators coached / to be coached in the NYC municipal portfolio, twelve buildings across four campuses in NY State will use BuildingCoach, a NY upstate county wishes for six or seven buildings to participate with the support of funding from NYSERDA, and others have also expressed interest. In the decades to come, there will be an increasing percentage of large and mid-sized buildings that incorporate automated system optimization (ASO), and the building operators’ role will shift to spend more time on maintenance and monitoring. Meanwhile, programs such as BuildingCoach will play a critical role in optimizing operations. And, regardless of the emergence of ASO, operators will still need to understand how their systems operate so that they can monitor them properly. Within that context, BuildingCoach is an important step towards operators’ understanding of efficient building system operations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

MCNPs Easy Sources for (α,n) (MESA) 1.0: A User’s Guide

MCNPs Easy Sources for Alpha,N (MESA) facilitates the construction of MCNP source definition cards for (α,n) sources. It is a complete re-write of the homogeneous, surface source, and three layer problem types from Sources4c. Please refer to this reference for documentation on the cross-sections and neutron emission spectra. The one departure from Sources4c is the use of alpha energies and activities from the ISC ENDF VII or VIII library specified by the user.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Italian Summer Students Program at Fermilab and other US Laboratories: 40 years of education in particle physics and technology

Since 1983 the Italian groups collaborating with Fermilab (US) have been running a 2-month summer training program for Master students. While in the first year the program involved only 4 physics students, in the following years it was extended to engineering students. Many students have extended their collaboration with Fermilab with their Master Thesis and PhD. The program has involved almost 600 Italian students from more than 20 Italian universities. Each intern is supervised by a Fermilab Mentor responsible for the training program. Training programs spanned from Tevatron, CMS, Muon (g-2), Mu2e and SBN and DUNE design and data analysis, development of particle detectors, design of electronic and accelerator components, development of infrastructures and software for tera-data handling, quantum computing and research on superconductive elements and accelerating cavities. In 2015 the University of Pisa included the program within its own educational programs. Summer Students are enrolled at the University of Pisa for the duration of the internship and at the end of the internship they write summary reports on their achievements. After positive evaluation by a University of Pisa Examining Board, interns are acknowledged 6 ECTS credits for their Diploma Supplement. In the years 2020 and 2021 the program was canceled due to the sanitary emergency but in 2022 it was restarted and allowed a cohort of 21 students in 2022, and a cohort of 27 students in 2023 to be trained for nine weeks at Fermilab. We are now organizing the 2024 program.

Barzi, Emanuela↗

New York-Presbyterian and Columbia University Irving Medical Center Requirements (Analysis Report)

EPOC uses the Deep Dive process to discuss and analyze current and planned science, research, or education activities and the anticipated data output of a particular use case, site, or project to help inform the strategic planning of a campus or regional networking environment. This includes understanding future needs related to network operations, network capacity upgrades, and other technological service investments. A Deep Dive comprehensively surveys major research stakeholders’ plans and processes in order to investigate data management requirements over the next 5–10 years. Between February and June 2024, staff members from the Engagement and Performance Operations Center (EPOC) met with researchers and staff from New York-Presbyterian (NYP), Columbia University Irving Medical Center (CUIMC), and NYSERNet for the purpose of a Deep Dive into scientific and research drivers. The goal of this activity was to help characterize the requirements for a number of campus use cases, and to enable cyberinfrastructure support staff to better understand the needs of the researchers within the community. Material for this event included the written documentation from each of the profiled research areas, documentation about the current state of technology support, and a write-up of the discussion that took place via e-mail and video conferencing. The case studies highlighted the ongoing challenges and opportunities that NYP and CUIMC have in supporting a cross-section of established and emerging research use cases. Each case study mentioned unique challenges which were summarized into common needs.

97 MATHEMATICS AND COMPUTING↗

Technical Basis for Proposed Changes to DOE-STD-1194-2019, Nuclear Material Attractiveness Determination and Categorization

The Department of Energy (DOE)’s Technical Standard DOE-STD-1194-2019 (dated September 2019), Nuclear Materials Control and Accountability, provides key guidance for the determination of Special Nuclear Material (SNM) attractiveness levels. Attractiveness levels are a key component in the security categorization of SNM processed, used, and stored at DOE facilities. Upon review, the writing team identified specific components relating to the determination of attractiveness levels that could be modified to improve clarity, reduce burden on sites, and/or better align with the graded safeguards principle that is central to the DOE’s nuclear security program. The report outlines the original verbiage, issues with implementation of that verbiage, proposed new verbiage, and the expected benefits thus serving as the technical basis for the proposed changes.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Radioimaging for real-time tracking of high-voltage breakdown

Development of a radioimaging diagnostic for high-voltage component reliability testing and electrical breakdown computational model validation is described. Radioimaging has its roots in radio astronomy, where aperture synthesis (also known as synthesis imaging) has been utilized for decades to image radio sources far from Earth. Radioimaging as described herein, in contrast, seeks to image radio sources in close proximity to its receivers (i.e., in a laboratory environment). Here it is shown that corona discharge, a non-destructive precursor to catastrophic (thermal) arc discharge, electromagnetically radiates strongly within a 250 kHz – 2.5 GHz bandwidth, and is readily detected and located by postprocessing the received radio signals. The ability of radioimaging to detect both corona and arc discharge (grouped together herein as high voltage breakdown or HVB) makes it a valuable tool for 100% HVB detection in materials, components, and devices, and has the ability to indicate electrical weakness (via corona detection) prior to a destructive arc discharge event. Radioimaging enables HVB to be located both internal and external to dielectric components under test in near-real-time, with multiple and/or extended HVB events located simultaneously. In contrast, existing non-destructive diagnostics (at the time of this writing) either indicate electrical breakdown without resolving failure locations (e.g., current, voltage, and chemical measurements), locate external HVB (e.g., high-speed optical and ultraviolet (UV) measurements or photography), or locate both external and internal HVB but with low fidelity (e.g., a single HVB source can be located by existing time-of-arrival (TOA) UHF or acoustic emissions). Radioimaging instead creates a sequence of high-fidelity images similar to an optical high-speed camera but at radiofrequencies (RF), and is not limited to two-dimensions. Moreover, radioimaging has already served one internal and two external industry customers, the results of which are detailed in this report. The radioimaging results described herein were part of a three-year effort funded by the Sandia Lab Directed Research and Development (LDRD) program within the Radiation, Electromagnetic, High Energy Density Science (REHEDS) investment area.

47 OTHER INSTRUMENTATION↗

Salk Institute for Biological Studies Requirements (Analysis Report)

EPOC uses the Deep Dive process to discuss and analyze current and planned science, research, or education activities and the anticipated data output of a particular use case, site, or project to help inform the strategic planning of a campus or regional networking environment. This includes understanding future needs related to network operations, network capacity upgrades, and other technological service investments. A Deep Dive comprehensively surveys major research stakeholders’ plans and processes in order to investigate data management requirements over the next 5–10 years. Between February and March 2024, staff members from the Engagement and Performance Operations Center (EPOC) met with researchers and staff from the Salk Institute for Biological Studies (Salk) for the purpose of a Deep Dive into scientific and research drivers. The goal of this activity was to help characterize the requirements for a number of campus use cases, and to enable cyberinfrastructure support staff better to understand the needs of the researchers within the community. Material for this event included the written documentation from each of the profiled research areas, documentation about the current state of technology support, and a write-up of the discussion that took place via e-mail and video conferencing. The case studies highlighted the ongoing challenges and opportunities that Salk Institute for Biological Studies have in supporting a cross-section of established and emerging research use cases. Each case study mentioned unique challenges which were summarized into common needs.

59 BASIC BIOLOGICAL SCIENCES↗

Fall SULI Report

This fall, I interned under Fan Guo and Xiaocan Li in T-2 at Los Alamos National Laboratory through the SULI program. I investigated how shock thickness is impacted by collisions between particles in plasmas and how particle acceleration in shocks is impacted by the mass ratio for protons and electrons used in simulations. Both investigations were carried out using the VPIC simulation code. I found that collisions do not meaningfully impact shock width and that higher mass ratios lead to somewhat more electron acceleration in shocks. This write-up is in three parts, the first discussing a description of what I was up to personally throughout the fall, the second discussing the results of the collisional shock study, and the third discussing the results of the high mass ratio shock study.

79 ASTRONOMY AND ASTROPHYSICS↗

Report on Initial Sodium Testing on the Thermal Hydraulic Experimental Test Article (THETA) (Fiscal Year 2024 Final Report)

The Thermal Hydraulic Experimental Test Article (THETA) is a facility that is used to develop sodium components and instrumentation as well as to acquire experimental data for validation of reactor thermal hydraulic and safety analysis codes. The facility simulates nominal thermal hydraulic conditions as well as protected/unprotected loss of flow accidents in a sodium-cooled fast reactor (SFR). High fidelity distributed temperature profiles of the developed flow field may be acquired with Rayleigh backscatter based optical fiber temperature sensors. The facility was designed in partnership with systems code experts to tailor the experiment to ensure the most relevant and highest quality data for code validation. THETA is comprised of a traditional primary coolant and secondary coolant system. The primary system is submerged in the pool of sodium and consists of a pump, electrically heated core, intermediate heat exchanger, and connected piping and thermal barriers (redan). The secondary system, located outside of the sodium pool, consists of a pump, sodium to air heat exchanger, and connected piping and valves. In fiscal year 2023, thermal stratification tests were completed with the primary system online, while the secondary system was being constructed [1]. These tests had shown that the core barrel and intermediate heat exchanger (IHX) outlet required increased thermal insulation. The THETA primary system was removed from METL, cleaned, thermal insulators installed, and then inserted into METL Test Vessel 4. At the time of this writing the THETA primary and secondary system are operational. During this fiscal year 100+ hours of testing was completed to characterize thermal hydraulic phenomena associated with steady state and transient conditions in a pool type liquid metal cooled reactor. A majority of the testing campaign was completed to satisfy the experimental data acquisition requirements for the GAIN Voucher with Oklo, CRADA 2021-21121. THETA is still operational at the time of this publication and future testing is planned for fiscal year 2025. Work is underway to publish existing and future data to an online database to facilitate collaboration with SFR engineers looking to validate their systems code or computational fluid dynamics models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Prototyping of 2D and 3D photonic nanodevices by Electron Beam Lithography (CRADA Final Report)

Team developed a large area and fast electron beam lithographic for patterning visible wavelength optical materials to create 2 or 3 dimensional gratings and metasurfaces. Metasurfaces,are arrays of nanoantennas or optical resonators, are dielectric or plasmonic structures that allow control of the amplitude, phase, and polarization of light by locally modulating its wavefront The team was able to write a 1cm2 pattern with resolution better than 30 nm without visible discontinuities in the pattern. Performance to this specification allowed prototyping of optical lenses for production applications such as augmented reality goggles (optical displays) and other applications for visible light manipulations

36 MATERIALS SCIENCE↗