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At least 1,135 records · Page 63

An open source platform for multi-scale spatially distributed simulations of microbial ecosystems

The goal of this project was to develop a tool for facilitating simulation, validation and discovery of multiscale dynamical processes in microbial ecosystems. This led to the development of an open-source software platform for Computation Of Microbial Ecosystems in Time and Space (COMETS). COMETS performs spatially distributed time-dependent flux balance based simulations of microbial metabolism. Our plan involved building the software platform itself, calibrating and testing it through comparison with experimental data, and integrating simulations and experiments to address important open questions on the evolution and dynamics of cross-feeding interactions between microbial species.

97 MATHEMATICS AND COMPUTING↗

Finite Element Analysis of the TRUST Nonlinear Dynamics Testbed

This paper builds on prior work conducted within the Los Alamos National Laboratory (LANL) Testbeds to Reduce Uncertainty in Simulations and Tests (TRUST) program. Specifically, it builds on finite element (FE) modeling efforts for the TRUST program’s Nonlinear Dynamics (ND) testbed. Historically, the FE model for the ND testbed has exclusively utilized a Lanczos eigensolver that linearly extracts the system’s natural frequencies. This paper investigates the Abaqus 2024’s explicit dynamic solver, which implements a central difference explicit solver. The central difference method used in Abaqus can capture nonlinear material responses in structural dynamic simulations making it suitable for the ND FE model.

42 ENGINEERING↗

Messier: A Detailed NVM-Based DIMM Model for the SST Simulation Framework.

DRAM technology is the main building block of main memory, however, DRAM scaling is becoming very challenging. The main issues for DRAM scaling are the increasing error rates with each new generation, the geometric and physical constraints of scaling the capacitor part of the DRAM cells, and the high power consumption caused by the continuous need for refreshing cell values. At the same time, emerging Non- Volatile Memory (NVM) technologies, such as Phase-Change Memory (PCM), are emerging as promising replacements for DRAM. NVMs, when compared to current technologies e.g., NAND-based ash, have latencies comparable to DRAM. Additionally, NVMs are non-volatile, which eliminates the need for refresh power and enables persistent memory applications. Finally, NVMs have promising densities and the potential for multi-level cell (MLC) storage.

97 MATHEMATICS AND COMPUTING↗

Quasar Host Galaxies/Neptune Rotation/Galaxy Building Blocks/Hubble Deep Field/Saturn Storm

Computerized animations simulate a quasar erupting in the core of a normal spiral galaxy, the collision of two interacting galaxies, and the evolution of the universe. Hubble Space Telescope (HST) images show six quasars' host galaxies (including spirals, ellipticals, and colliding galaxies) and six clumps of galaxies approximately 11 billion light years away. A false color time lapse movie of Neptune displays the planet's 16-hour rotation, and the evolution of a storm on Saturn is seen though a video of the planet's rotation. A zoom sequence starts with a ground-based image of the constellation Ursa major and ends with the Hubble Deep Field through progressively narrower and deeper views.

Source record↗

The Geoengineering Model Intercomparison Project Phase 6 (GeoMIP6): Simulation design and preliminary results

We present a suite of new climate model experiment designs for the Geoengineering Model Intercomparison Project (GeoMIP). This set of experiments, named GeoMIP6 (to be consistent with the Coupled Model Intercomparison Project Phase 6), builds on the previous GeoMIP project simulations, and has been expanded to address several further important topics, including key uncertainties in extreme events, the use of geoengineering as part of a portfolio of responses to climate change, and the relatively new idea of cirrus cloud thinning to allow more long wave radiation to escape to space. We discuss experiment designs, as well as the rationale for those designs, showing preliminary results from individual models when available. We also introduce a new feature, called the GeoMIP Testbed, which provides a platform for simulations that will be performed with a few models and subsequently assessed to determine whether the proposed experiment designs will be adopted as core (Tier 1) GeoMIP experiments. In conclusion, this is meant to encourage various stakeholders to propose new targeted experiments that address their key open science questions, with the goal of making GeoMIP more relevant to a broader set of communities.

58 GEOSCIENCES↗

Measurement of off-shell Higgs boson production in the $H^*\rightarrow ZZ\rightarrow 4\ell$ decay channel using a neural simulation-based inference technique in 13 TeV pp collisions with the ATLAS detector

A measurement of off-shell Higgs boson production in the $H^*\to ZZ\to 4\ell$ decay channel is presented. The measurement uses 140 fb −1 of proton–proton collisions at $\sqrt{s} = 13$ TeV collected by the ATLAS detector at the Large Hadron Collider and supersedes the previous result in this decay channel using the same dataset. The data analysis is performed using a neural simulation-based inference method, which builds per-event likelihood ratios using neural networks. The observed (expected) off-shell Higgs boson production signal strength in the $ZZ\to 4\ell$ decay channel at 68% CL is $0.87^{+0.75}_{-0.54}$ ($1.00^{+1.04}_{-0.95}$ ). The evidence for off-shell Higgs boson production using the $ZZ\to 4\ell$ decay channel has an observed (expected) significance of 2.5σ (1.3σ). The expected result represents a significant improvement relative to that of the previous analysis of the same dataset, which obtained an expected significance of 0.5σ. When combined with the most recent ATLAS measurement in the $ZZ\to 2\ell 2\nu$ decay channel, the evidence for off-shell Higgs boson production has an observed (expected) significance of 3.7σ (2.4σ). The off-shell measurements are combined with the measurement of on-shell Higgs boson production to obtain constraints on the Higgs boson total width. The observed (expected) value of the Higgs boson width at 68% CL is $4.3^{+2.7}_{-1.9}$ ($4.1^{+3.5}_{-3.4}$ ) MeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Building the Scale Model TELBOT Master Arm - 19585

For centuries, the art and science of modeling have gone hand in hand with the advancements of technology. Among the most impressive examples of the past modeling were ship models constructed for the British Royal Navy. Referred to as Admiralty models, they were principally constructed during the 18. and 19. centuries to depict proposed warship design. To this day, models are important in the field of engineering, where analytical modeling of a new design needs to be verified. In our project the old practice of building models will be fortified by the most advanced software and 3-D printing technology and used to manufacture a fully working Telbot Master Arm scaled down to 0.4-0.5 of its original size. The Telbot is a robotic arm used in different fields like the nuclear and chemical industry, often in combination with other products of our company. The main features of the Telbot's sleek construction are: 1) the high load capacity design; 2) unlimited rotation of all axes; 3) no external or internal wiring of the arm; 4) unlimited, fast and precise arm movements; 5) smooth and sealed arm bodies and joints; 6) high repeat accuracy; 7) resistance to radiation, and it can handle precise loads from 5 kg to 150 kg. Presently, to demonstrate such impressive design features and movement possibilities to its customers, HWM has to build a 3-D virtual reality simulation of the environment where Telbot is proposed to be used and then the arm simulates its movement in this environment. In addition, though HWM does have a showroom for Telbot, due to its weight and size it is not possible to take the full size Telbot on the road to show off its capabilities to customers. The challenge is to build a scaled down full working version of the Telbot robotic arm that can be moved in every direction and angle. The model will be based on the redeveloped T300 Telbot, with 3 joints and 7 free to move pivots. It will be at a 0.4 or 0.5 scale. The outer shell will be 3D printed. The sensors will forward the position and angle to HWM virtual reality software. With these features, any changes made on the model would get displayed in the software one-to-one. The result will be a Telbot Master arm model which can be easily transported; Waellischmiller would be able to present the Telbot not just virtually, but as a real product with all its functions and versatility and show it all over the world. The extensive construction of the virtual 3-D stimulation can be eliminated and the course of movement to reach specific positions could get simulated faster and easier. It can also be used internally and externally for training. This paper will address the challenges, materials used and manufacturing process of building a fully-working scaled-down version of the Telbot Master Arm. (authors)

3D PRINTING↗

A new biogeochemical modelling framework (FLaMe-v1.0) for lake methane emissions on the regional scale: development and application to the European domain

This study presents a new physical-biogeochemical modelling framework for simulating lake methane (CH 4 ) emissions at regional scales. The new model, FLaMe-v1.0 (Fluxes of Lake Methane), rests on an innovative, computationally efficient lake clustering approach that enables the simulation of CH 4 emissions across a large number of lakes. Building on the Canadian Small Lake Model (CSLM) that simulates the lake physics, we develop a suite of biogeochemical modules to simulate transient dynamics of organic Carbon (C), Oxygen (O 2 ), and CH 4 . We first test the performance of FLaMe-v1.0 by analyzing physical and biogeochemical processes in two theoretical lakes with characteristics that can be considered representative for many lakes (an oligotrophic, deep lake driven by cold climate versus a eutrophic, shallow lake driven by warm climate). Next, we evaluate the model by comparing simulated and observed timeseries of CH 4 emissions in four well-surveyed lakes. We then apply FLaMe-v1.0 at the European scale to evaluate simulated diffusive and ebullitive lake CH 4 fluxes against in-situ measurements in both boreal and central European regions. Finally, we provide a first assessment of the spatio-temporal variability in CH 4 emissions from European lakes with a surface area comprised between 0.1–1000 km 2 (n= 108 407, total area = 1.33 × 105 km 2 ), indicating a total emission of 0.97 ± 0.23 Tg CH 4 yr −1 , with the uncertainty constrained by combining FLaMe-v1.0 and machine learning techniques. Moreover, 30 % and 70 % of these CH 4 emissions are through diffusive and ebullitive pathways, respectively. Annually averaged CH 4 emission rates per unit lake area during 2010–2016 have a South-to-North decreasing gradient, resulting in a mean over the European domain as 7.39 g CH 4 m −2 yr −1 . Our simulations reveal a strong seasonality (with ice-blocking effects accounted for) in European lake CH 4 emissions, with nearly ten times higher emissions during late summer than during winter. This pronounced seasonal variation highlights the importance of accounting for the sub-annual variability in CH 4 emissions to accurately constrain regional CH 4 budgets. In the future, FLaMe-v1.0 could be embedded into Earth System Models to investigate the feedback between climate warming and global lake CH 4 emissions.

Maisonnier, Manon [Free Univ. of Brussels (Belgium↗

Regolith Simulant Report Cards: A User Friendly Simulant Certification System

As the nation prepares to return to the Moon, there is an increasing need for testing tools, instruments, and equipment in simulated lunar regolith to ensure successful operations during lunar missions. Because of this, it is important to use accurate lunar regolith simulants to prepare for these missions. To address this, we are building an objective certification and reporting system for regolith simulants to ensure suitable simulants are being used for the appropriate use cases. Previous systems like the Figures of Merit (FoM) [1] and the Lunar Regolith Simulant User’s Guide fit-to-use matrices [2] for lunar simulants were not particularly user friendly. Some of the Figures of Merit were not clearly defined and did not include recommended baseline values of lunar regolith properties to compare simulants to, and the fit-to-use matrices are out of date and include simulants that are no longer in production and do not include simulants that have been developed since.

S. R. Deitrick↗

Engineering evaluation of the EQSIM simulated ground-motion database: The San Francisco Bay Area region

Ground-motion simulations for infrequent earthquake scenarios are gaining increasing interest in the engineering community for their potential to inform performance-based structural design and assessment, particularly in regions where major earthquakes are expected, but recordings from consistent historical events are not available. However, the absence of empirical data makes the evaluation of such scenarios and the interpretation of the simulation results very challenging. In this context, this paper presents the evaluation of the first EQSIM (v.1.1.0) ground-motion simulations generated for the San Francisco Bay Area (SFBA) region. The current database, which is at the first stages of development, includes eight realizations of a Hayward Fault M w 7 event. The evaluation of the simulated motions is first conducted on the average ground-motion amplitudes through comparison against the NGA-W2 GMPEs and a selected population of real records. A methodology for selecting a population of real records consistent with the simulated event is proposed. The objective of the proposed evaluation is twofold: (1) build confidence in the realistic character of the simulated motions for their use in engineering applications and (2) offer a critical physics-based interpretation of the simulation results that can help improve key features of the simulation models. To further investigate the implications of using the simulated ground motions for site-specific structural assessments, the ASCE7-16 approach is employed for the analysis of two hazard-consistent near-field sites in the SFBA. Results are discussed. Furthermore, this study offers a critical review of the EQSIM (v.1.1.0) SFBA ground-motion simulations and suggestions for improving the earthquake rupture models.

58 GEOSCIENCES↗

New U.S. Data Tools are Playing a Crucial Role in Decarbonizing Buildings at Speed, Scale, and Low Cost

Preparing buildings for retrofits traditionally requires expensive on-site audits or time- intensive simulation models. As a result, the majority of buildings fail to pursue cost-saving retrofits. To address these barriers, the U.S. Department of Energy (DOE) has introduced the Building Efficiency Targeting Tool for Energy Retrofits (BETTER)—a new, free, on-line tool that utilizes a data-driven analytical engine and user-friendly web interface to automatically analyze a building’s monthly energy usage in response to weather conditions. The tool benchmarks a building’s electric and fossil energy usage against peers; estimates energy, cost, and emissions reductions at the building and portfolio levels; recommends energy efficiency measures; and prioritizes buildings for net-zero energy retrofits. Thanks to interoperability with the DOE’s Standard Energy Efficiency Data (SEED) platform, BETTER is supporting U.S. jurisdictions to prepare buildings for retrofit at speed, scale, and low cost to comply with energy policies. This paper discusses the use of BETTER and SEED by one of the branches of the California state government to streamline a retrofit program across 455 public non-residential buildings to align with state goals to reduce greenhouse gas emissions. It describes the organization’s challenge to reduce energy consumption across a geographically diverse, aging portfolio; explores how BETTER and SEED improved workflow efficiency; presents preliminary results, including avoiding audit costs of $3.28 million and developing the groundwork for retrofit projects estimated to prevent emission of 2,271 t CO2e annually; and provides guidance for other jurisdictions seeking similar results.

Li, han↗

Hygrothermal analyses of the moisture control and energy efficiency potential of an adaptive water-resistive barrier for building envelopes

A water-resistive barrier (WRB) is a material installed on the exterior side of the sheathing to prevent water intrusion so that building components are not damaged by moisture. A membrane that can change its water vapor permeability between two states to control water vapor transport into and out of residential and commercial building wall systems is being developed. This simulation study assesses if this membrane used as a WRB reduces moisture levels and mold growth risk in exterior walls and building energy consumption. The developed membrane may require modifications to fully function as a WRB in contact with liquid water. Hygrothermal component simulations were conducted for different climate zones, different wall assemblies, different switching points and permeabilities to identify the most beneficial application cases and their required perm range and switching control. The study details the required simulation settings and suggests that the switchable membrane can reduce the water content in the sheathing and reduce the mold growth risk in the cavity in all climate zones. The effect on energy consumption of the switchable membrane is not significant. The study also includes recommendations on how to model the material characteristics of a switchable membrane and recommendations on practical applications for the switchable membrane.

42 ENGINEERING↗

Full Core Multiphysics Simulation with Offline Mesh Deformation

In this report, building on previous reports issued in FY13 we describe our continued efforts to integrate thermal/hydraulics, neutronics, and structural mechanics modeling codes to perform coupled analysis of a representative fast sodium-cooled reactor core. The focus of the present report is a full core simulation with off-line mesh deformation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Flat plate collector performance determined experimentally with a solar simulator

The NASA is constructing a new office building at Langley Research Center that will utilize solar energy for heating and cooling. A collector technology program being conducted at Lewis will provide the basis for selecting collectors for use at Langley. The technology program includes testing collectors in an indoor facility under simulated solar radiation. Tests have been conducted on five collectors to date and performance data are presented herein.

Vernon, R. W.↗

Data assimilation for combustion ignition delay time simulation using schlieren image velocimetry

This study sought to improve the accuracy of simulating spray penetration and combustion ignition delay by means of data assimilation (DA). The simulations were conducted using the Reynolds-averaged Navier–Stokes (RANS) equations and assimilating the schlieren image data. In DA, an ensemble square root filter (EnSRF) was used to build the statistical model, making the simulation results more accurate without any change in the governing equations. Recognizing that the spray-cone injection angle has a large effect on penetration, we created ensemble members with different injection angles. And we applied the two-component velocity distribution calculated via SIV and updated both velocity and temperature by using a DA statistical model derived from RANS ensemble simulations. The ignition delay time is generally known to vary even under the same experimental conditions because it is influenced by many factors. In this study, we attempted the transient DA-assisted RANS simulation to predict the ignition delay time even when the temporal resolution and accuracy of the observation data ware insufficient. Our trials offer an example of how a combination of techniques can be effectively used to assimilate experimental data obtained under restricted conditions.

Combustion simulation↗

Development and assessment of a reactor system prognosis model with physics-guided machine learning

Autonomous control systems provide recommendations to help operators in decision-making during plant operations ranging from normal operation to accident management. An important step of autonomous control is prognosis. In nuclear engineering domain, prognosis is the process of predicting future conditions of a system or equipment based on present signs and symptoms of a fault. The prognosis model allows predicting future reactor states for possible candidate control strategies so that the outcomes can be evaluated to determine the best control strategy. The prognosis model requires representing direct relationships between the symptoms and the predictions. In nuclear engineering, computational simulations are approximate representations of the operation of the real system. However, prognosis with computational simulations requires high computation power and time due to possible large number of scenarios. Necessary computation resources can be reduced with machine learning (ML) approach for fast predictions by building a surrogate function using the simulation data. A critical issue is, ML models are ignorant of physical knowledge, and these models approximate statistical relationships between the system variables. This ignorance can produce results that are inconsistent with physical laws, even if an optimal result is achieved from a mathematical point of view. Physics-guided machine learning (PGML) is an approach to tackle this issue. Here, this work formulates and illustrates a framework to guide development and assessment of the ML-based prognosis model for autonomous control systems. The development of the prognosis model considers the training of a ML model which consists of optimizing many aspects of the ML approach. The assessment of the prognosis model considers training data limitations and uncertainties of the ML approach. Prognosis models with standalone ML and PGML are developed and assessed on the loss-of-flow scenario of Experimental Breeder Reactor II. The results indicate that PGML based prognosis model has the best performance compared to other prognosis models.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Designing molecular building blocks for the self-assembly of complex porous networks

The creation of molecular or colloidal building blocks which can self-assemble into complex, ordered porous structures has been long sought-after, and so are the guiding principles behind this creation. The pursuit of this goal has led to the creation of novel classes of materials like metal organic frameworks (MOFs) and covalent organic frameworks (COFs). In theory, a tremendous number of structures can be formed by these materials due to the variety of geometries available to their building blocks. However, most realized crystal structures tend to be simple or homoporous and typically assemble from building blocks with high degrees of symmetry. Building blocks with low degrees of symmetry suitable for assembly into the more complex structures tend to assemble into polymorphous or disordered structures instead. Here, we use Monte Carlo simulations of patchy vertex-like building blocks to show how the addition of chemical specificity via orthogonally reacting functional sites can allow vertex-like building blocks with even asymmetric geometries to self-assemble into ordered crystallites of various complex structures. In addition to demonstrating the utility of such a strategy in creating ordered, heteroporous structures, we also demonstrate that it can be used as a means for tuning specific features of the crystal structure, accomplishing such aims as the control of relative pore sizes. We also discuss heuristics for properly designing molecules so that they can assemble into target structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multiphysics simulation of recent experiments on alkali‐silica reaction expansion in reinforced concrete members

Alkali‐silica reaction (ASR) is an important degradation process that causes volumetric expansion and damage in concrete, and is affected significantly by the local temperature, moisture and stress conditions that often vary across the regions of a structure. Numerical simulation is essential to predict the progression and effects of ASR on the performance of structures. Because of the interactions between thermal and moisture transport and mechanical deformation, it is important for numerical models to represent all these physical phenomena and the coupling between them. Simulations of ASR in reinforced concrete (RC) structures are further complicated by the need to capture interactions between concrete and embedded reinforcing bars. Here, this paper describes the implementation of a scalable, coupled‐physics ASR model for simulating RC structures and assesses the ability of that model to predict ASR‐induced expansion in recent laboratory tests on RC block and beam specimens. These laboratory tests and the simulation approach were selected because of their applicability to RC structural‐scale simulations. This validation study helps builds confidence the ability of this approach to model ASR expansion in large, complex RC structures, which is a current high‐priority need.

36 MATERIALS SCIENCE↗