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At least 1,261 records · Page 70

Building a better leapfrog

In stellar dynamical computer simulations, as well as other types of simulations using particles, time step size is often held constant in order to guarantee a high degree of energy conservation. In many applications, allowing the time step size to change in time can offer a great saving in computational cost, but variable-size time steps usually imply a substantial degradation in energy conservation. We present a meta-algorithm' for choosing time steps in such a way as to guarantee time symmetry in any integration scheme, thus allowing vastly improved energy conservation for orbital calculations with variable time steps. We apply the algorithm to the familiar leapfrog scheme, and generalize to higher order integration schemes, showing how the stability properties of the fixed-step leapfrog scheme can be extended to higher order, variable-step integrators such as the Hermite method. We illustrate the remarkable properties of these time-symmetric integrators for the case of a highly eccentric elliptical Kepler orbit and discuss applications to more complex problems.

Hut, Piet↗

Thermo-hydraulic steam pipe models for district heating simulations: Simplifications to balance accuracy and simulation speed

Steam piping networks are essential for optimizing performance in industrial processes and district heating systems. However, dynamic models that balance thermo-hydraulic accuracy with computational efficiency remain limited. In response, this paper presents a new discretized steam pipe model based on the plug flow approach, capturing key thermo-hydraulic behaviors while simplifying steam phase change processes. Implemented in Modelica, the model accurately calculates temperature and pressure distributions along steam pipelines. To improve computational efficiency for district-scale simulations, five model simplifications are introduced: lumped thermo-hydraulic functions, empirical correlations, fluid state approximations, steady-state dynamics and inclusion of flow derivatives. These simplified models achieve 85%-98% accuracy in predicting pressure drop and condensation losses, including dynamic condensate behavior during pipe warm-up—a factor often overlooked in existing models. The models support diverse network configurations, scaling effectively to systems with multiple distribution pipes and connected building loads. Discrete models provide detailed insights but exhibit a cubic increase in simulation time as the network scales by N connected building O(N 2.42 ). In contrast, lumped models simulate 10–28 times faster than discrete, offering quadratic scaling of simulation time O(N 1.73 ). However, they still require 6 times more computation time than a lossless network, highlighting the inherent computational challenges of modeling compressible fluid flow. In conclusion, the steady-state lumped variant, with its near-linear scalability in computational time O(N 1.01 ), emerges as an efficient solution for preliminary design evaluations and extensive parametric studies.

15 GEOTHERMAL ENERGY↗

The Building America Indoor Temperature and Humidity Measurement Protocol

When modeling homes using simulation tools, the heating and cooling set points can have a significant impact on home energy use. Every four years, the Energy Information Administration (EIA) Residential Energy Consumption Survey (RECS) asks homeowners about their heating and cooling set points. Unfortunately, no temperature data is measured, and most of the time, the homeowner may be guessing at this number. Even one degree Fahrenheit difference in heating set point can make a 5% difference in heating energy use! So, the survey-based RECS data cannot be used as the definitive reference for the set point for the "average occupant" in simulations. The purpose of this document is to develop a protocol for collecting consistent data for heating/cooling set points and relative humidity so that an average set point can be determined for asset energy models in residential buildings. This document covers the decision making process for researchers to determine how many sensors should be placed in each home, where to put those sensors, and what kind of asset data should be taken while they are in the home. The authors attempted to design the protocols to maximize the value of this study and minimize the resources required to achieve that value.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Adopting occupancy-based HVAC controls in commercial building energy codes: Analysis of cost-effectiveness and decarbonization potential

Recent research has shown the energy-saving potential of occupancy-based HVAC controls (OBCs) in commercial buildings. However, building energy codes have not fully adopted this technology. This study aims to evaluate the cost-effectiveness and decarbonization benefits of OBCs and provide guidance for integrating occupancy sensors into building energy code development. To this end, a parametric simulation using EnergyPlus and a nationwide cost-effectiveness analysis are carried out considering three building types and 40 representative cities in the U.S. Here, the findings reveal that the current cost-effectiveness performance of OBCs is limited due to the high cost of occupancy sensors. However, incorporating the societal cost of carbon factor in future energy and environmental policy could greatly enhance the actual cost-effectiveness performance. Besides, a reduction in the cost of occupancy sensors to approximately 60% of the current price level could also greatly shorten the discounted payback period of OBCs. Additionally, OBCs demonstrate significant potential in building decarbonization, with potential CO 2 emissions savings of more than 5.56 million metric tons across the three building types and 40 selected cities. Finally, policy implications are provided to guide the incorporation of occupancy-based HVAC controls in future energy codes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structures: Preprint

The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is poorly understood. To improve understanding, an Integrated Energy System Model (IESM) is being developed to simulate the physical and economic aspects of DER technologies, the buildings where they reside, and feeders servicing them. The IESM was used to simulate 20 houses with home energy management systems on a single feeder under a time of use tariff to estimate economic and physical impacts on both the households and the distribution utilities. HEMS reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Household savings are greater than the reduction utility net revenue indicating that HEMS can provide a societal benefit providing tariffs are structured so that utilities remain solvent. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices and resulting in a higher peak load.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Effects of Home Energy Management Systems on Distribution Utilities and Feeders Under Various Market Structure; NREL (National Renewable Energy Laboratory)

The combination of distributed energy resources (DER) and retail tariff structures to provide benefits to both utility consumers and the utilities is not well understood. To improve understanding, an Integrated Energy System Model (IESM) is being developed to simulate the physical and economic aspects of DER technologies, the buildings where they reside, and feeders servicing them. The IESM was used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load. used to simulate 20 houses with home energy management systems on a single feeder under a time-of-use (TOU) tariff to estimate economic and physical impacts on both the households and the distribution utilities. Home energy management systems (HEMS) reduce consumers’ electric bills by precooling houses in the hours before peak electricity pricing. Utilization of HEMS reduce peak loads during high price hours but shifts it to hours with off-peak and shoulder prices, resulting in a higher peak load.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Minimizing User Burden in Building Energy Analysis

Infrared (IR) imagery can provide valuable data to building energy auditors and the developers of Building Energy Models (BEM). IR by itself is not a panacea to the challenges facing energy auditors and modelers, but when combined with other techniques and Open Studio software, IR can play an important role in the minimization of the burden of creating building energy models and the diagnosing of building energy problems. While IR can be used to detect and quantify many aspects of a building’s thermal and energy performance, in Phase I we focused on a single capability: determining the R value of exterior walls. Two key attributes of using IR methods for R value determination is that IR methods measure the actual, installed performance in-situ – as opposed to relying on manufacturer or handbook values – and they can integrate performance over a wide area and thus can accurately account for thermal bridging and spatial anomalies such as “spotty” insulation installation. There is a trade between user burden and accuracy when using IR to determine a wall’s R value. The least burdensome approach is computing R values from a single IR snapshot. The most burdensome method we considered was to combine IR images with thermocouple and heat flux sensor (HFS) measurements made over the course of several days. The more effort users expend in making the measurements, the more accurate and robust the method becomes. Through a series of field tests at the ThermoAnalytics Inc. (TAI) HQ at Calumet, MI and a simulation of a 1980s era office building in Flagstaff, AZ we investigated methods to compute the R value of exterior walls using data from IR cameras, thermocouples and heat flux sensors. To compute R values the heat flux through the wall, along with temperatures on either side of the wall, must be known, modeled, or estimated – and the temperature difference through the wall should be at least 10 C. If only outdoor IR images are used in the method, the inside ambient air temperature must be estimated, and a simulation model created to predict heat fluxes and the indoor wall temperature. The accuracy of the resulting R value depends on the accuracy of the simulation and the assumptions it employs. Applying thermocouple sensors, either as iButtons or as part of a wireless sensor network, to the walls allows for the acquisition of temperatures over time. The longer the duration of the measurements, the more accurate and robust the method will be. Even with this level of measurement effort, modeling is still required to calculate the heat flux through the wall. The addition of a heat flux sensor alleviates the need for any modeling, and that results in improved accuracy. Driving the accuracy of the methods are several factors that can be quantified. How well are the wall surface temperatures known? Modeling the heat flux through walls requires knowing the details of the surrounding radiant environment and the heat transfer due to convection. How well are these boundary conditions known? Even when the heat flux is measured, error can arise when some of the measured heat is not conducted through the wall but rather goes into the thermal mass of the wall. Thermal mass effects occur when conditions and the heat flux values are fluctuating. A technique that is not robust will suffer in accuracy when these fluctuations occur. The R value determination method must be incorporated into the Open Studio process. In our proposed process, IR images and other measured sensor data are input into a module that would send R value estimates to a building library developed by team member Skidmore, Owings, & Merrill (SOM). This library of parameterized building models would use these R values along with information about the building’s age, type, and location to query the Open Studio BCL to identify the most likely constructions for walls, roof, and windows. Being based on the IMF feature of Energyplus, the SOM building library can quickly produce Energyplus models of buildings based on a limited number of user inputs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

VME rollback hardware for time warp multiprocessor systems

The purpose of the research effort is to develop and demonstrate innovative hardware to implement specific rollback and timing functions required for efficient queue management and precision timekeeping in multiprocessor discrete event simulations. The previously completed phase 1 effort demonstrated the technical feasibility of building hardware modules which eliminate the state saving overhead of the Time Warp paradigm used in distributed simulations on multiprocessor systems. The current phase 2 effort will build multiple pre-production rollback hardware modules integrated with a network of Sun workstations, and the integrated system will be tested by executing a Time Warp simulation. The rollback hardware will be designed to interface with the greatest number of multiprocessor systems possible. The authors believe that the rollback hardware will provide for significant speedup of large scale discrete event simulation problems and allow multiprocessors using Time Warp to dramatically increase performance.

Robb, Michael J.↗

Engineering Layer For System Analysis

ELSA offers various utility classes and methods to streamline the definition of regions, materials, and geometries in nuclear simulations. Key features include generating OpenMC regions, managing material properties, and providing convenient abstractions for complex geometrical and physical configurations. Additionally, ELSA supports the creation of submodels, enabling users to build modular and reusable components for their simulations. The codebase also includes robust extrusion and revolution capabilities, facilitating the efficient creation of 3D parametric geometries from 2D profiles through linear and rotational transformations.

Ferney, Paul [Idaho National Laboratory (INL), Ida↗

Elucidating the formation mechanisms of zeolites using data-driven modelling and in-situ characterization

Zeolites are the main solid catalysts used by the chemical industry. The use of zeolites in separations and as shape selective catalysts requires control of the width and connectivity of their pores. 235 distinct zeolite frameworks have been synthesized to date, of over 2 million that have been proposed. Recent work indicates that the limitation is in large part kinetic: new synthetic pathways are required to access new zeolites. Organic cations are used to direct the synthesis towards specific zeolites. However, the molecular mechanisms by which cations direct the nucleation towards specific zeolites is not known. Elucidating these mechanisms is key to realize new zeolites for catalysis and separations, and is the focus of this project. This project developed and implemented a synergistic, data-driven computational and experimental approach to resolve the molecular pathways of nucleation, growth, and polymorph selection of zeolites and the role of organic cations in directing their formation. The project developed computationally efficient and accurate models for the study of the nucleation and growth of pure silica zeolites in molecular simulations, using machine learning with data from experiments. Simulations with these models were integrated with scanning tunneling electron microscopy, computer vision, and deep learning to unveil the molecular pathways of formation of a zeolite. Of particular interest in this project was to elucidate the role of amorphous precursors in the nucleation of the zeolite. Previous experiments indicate that zeolites are born within non-crystalline aggregates in which the silicates and organic cations have local and medium range order similar to that of the zeolite. The organic cations that direct the formation of zeolites and those that direct the formation of ordered mesoporous silicas are similar. We hypothesized that the frustrated attraction that for large organic cations leads to the formation of stable mesophases that direct the synthesis of mesoporous silicas, could promote the formation of metastable mesophases that can assist in the nucleation and polymorph selection of zeolites. The simulations resolved how structure directing agents build crystalline order and showed that mesoscopic pre-ordering occurs is not required to facilitate the nucleation of zeolites, because the synthesis occurs at high driving forces, where the barriers for nucleation are negligible. This project unveiled that polymorph selection in zeolite synthesis occurs after nucleation, opening a distinct area of control through the kinetics of growth and not through nucleation barriers.

36 MATERIALS SCIENCE↗

Community Geothermal: Borefield Design, Thermal Conductivity, and Subsurface Modeling Data - Chicago, IL

This dataset encompasses the development of a geothermal energy system for the West Woodlawn neighborhood in Chicago, Illinois. This project is part of a broader initiative to design and deploy geothermal heating and cooling systems at a community scale. The dataset includes thermal conductivity test results, calculations for borehole sizing based on the American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) method, as well as simulated thermal loads based on actual energy usage from individual buildings. Also provided here are files used for numerical modeling via COMSOL Multiphysics to simulate borefield design and subsurface thermal behavior. Two manuscripts are attached, which outline the broad objectives of the project and a description of the numerical modeling methodology and results.

15 GEOTHERMAL ENERGY↗

Computationally inexpensive part-scale thermal history of additive friction-stir deposition

This study presents an analytical model for steady-state power generation and tool heat loss in additive friction-stir deposition (AFSD), developed to enable part-scale thermal simulation while remaining computationally inexpensive. The model predicts total generated power, yielding 3.7–4.7 kW across deposition temperature setpoints of 400–460 °C for the deposition of AA6061 with a Be-Cu tool. This corresponds to 90–95% of the reported spindle power. Tool heat loss is experimentally determined by calibrating a steady-state energy balance between the generated power, the substrate-deposition thermal gradient, and a temperature dependent tool heat loss term: q tool (T) = a + b (T - 400°C) with a = 2.7 x 10 6 Wm -2 and b = 9.5 x 10 3 Wm -2 K -1 . The calibration indicates that about 69% of the generated heat is conducted into the tool for this configuration, which is much higher than previously reported. The calibrated heat-source is implemented in finite element software (Adamantine) to simulate the transient thermal history of a 100 cm 3 representative build in 8 min on a standard desktop (at 0.635 mm build-height resolution). For the first three layers, the substrate temperatures between simulation and experiment are within 10% mean absolute percentage error. Sensitivity analysis indicates that uncertainties in average deposition temperature and deformation localization (stir-zone geometry, depth, and spatial dependance of strain-rate and flow stress) dominate model variance, motivating additional experimental verification.

Additive Friction-Stir Deposition↗

Empirical Validation of Building Energy Modeling using Flexible Research Platform

Recently, efforts have been made to provide reliable empirical data for ANSI/ASHRAE Standard 140, Standard Method of Test for the Evaluation of Building Energy Analysis Computer Programs, to enable improved accuracy of building energy model (BEM) engines and improved characterization of their accuracy. The motivation for this effort is that the use of reliable empirical validation data sets in the evaluation of building energy modeling tools will lead to more consistent and validated simulation engines across all software vendors. This would expedite the use of building energy modeling in designing new buildings and retrofitting existing buildings, which delivers more energy efficient buildings.As part of a three-year multi-lab empirical validation project sponsored by U.S. DOE, this research project generated cooling season test plans by reviewing ASHRAE Standard 140, and the tests were performed based on the test plan. Finally, the experimental data sets were compared with the EnergyPlus model to demonstrate the validation procedure.

Im, Piljae↗

Studsvik R2 materials test reactor Ad Hoc depletion strategy for the derivation of the fuel isotopic composition of the MPCMIV benchmark

The Ad Hoc Depletion Strategy elaborated by the NINE company, developed in support of the organization of the MPCMIV (Multi-physics Pellet Cladding Mechanical Interaction Validation) benchmark input and output specifications, is presented. This work aims at illustrating the strategy itself and then showing the results obtained with its application over the Studsvik R2 Testing Reactor, which is analyzed in the benchmark. The objective of the application of the strategy is to compute the fuel elements isotopic compositions at the beginning of some core loadings of interest for the benchmark. To this objective, it is necessary to implement first the simulation model of the three single assembly types and perform the infinite lattice depletions, then, to build the full core model and to perform the simulation of the core cycle. All the models and simulations were carried out with the use of the Monte Carlo particle transport code Serpent 2. Finally, the simulations results are assessed against Studsvik isotopic compositions of the fuel elements discharged from the R2 Reactor at the end of the core loading. Several assumptions were necessary during all the steps of the strategy, to overcome the lack of information regarding the core management. For this reason, the solution found at the end of the current analysis may not be completely optimized and further improvements regarding the model assumptions will be tested in a future work. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The EGS Collab Project: Status and Accomplishments

The EGS Collab project, supported by the US Department of Energy, is addressing challenges in implementing enhanced geothermal systems (EGS). This includes improving understanding of the stimulation of crystalline rock to create appropriate flow pathways, and the ability to effectively simulate both the stimulation and the flow and transport processes in the resulting fracture network. The project is performing intensively monitored rock stimulation and flow tests at the 10-m scale in an underground research laboratory. Data and observations from the field test are compared to simulations to understand processes and to build confidence in numerical modeling of the processes. In Experiment 1, we examined hydraulic fracturing an underground test bed at the Sanford Underground Research Facility (SURF) in Lead, South Dakota, at a depth of approximately 1.5 km. We drilled eight sub-horizontal boreholes in a well-characterized phyllite. Six of the boreholes were instrumented with many sensor types to allow careful monitoring of stimulation events and flow tests, and the other two boreholes were used for water injection and production. We performed a number of stimulations and flow tests in the testbed. Our monitoring systems allowed detailed observations and collection of numerous data sets of processes occurring during stimulation and during dynamic flow tests. Long-term ambient temperature and chilled water flow tests were performed in addition to many tracer tests to examine system behavior. Data were rapidly analyzed, allowing adaptive control of the tests. Numerical simulation was used to answer key experimental design questions, to forecast fracture propagation trajectories and extents, and to analyze and evaluate results. Many simulations were performed in near-real-time in conjunction with the field experiments, with more detailed process study simulations performed on a longer timeframe. Experiment 2 will examine hydraulic shearing in a test bed being built at the SURF at a depth of about 1.25 km in amphibolite under a different set of stress and fracture conditions than Experiment 1. Five sets of fracture orientations were considered in design, and three orientations seem to be consistently observed.

EGS Collab↗

Coupled Stochastic Time-Inverted Lagrangian Transport/Weather Forecast and Research/Vegetation Photosynthesis and Respiration Model: Simulations of Tower-Based and Airborne CO2 Measurements - Part II

This paper evaluates simulations of atmospheric CO2 measured in 2004 at continental surface and airborne receptors, intended to test the capability to use data with high temporal and spatial resolution for analyses of carbon sources and sinks at regional and continental scales. The simulations were performed using the Stochastic Time-Inverted Lagrangian Transport (STILT) model driven by the Weather Forecast and Research (WRF) model, and linked to surface fluxes from the satellite-driven Vegetation Photosynthesis and Respiration Model (VPRM). The simulations provide detailed representations of hourly CO2 tower data and reproduce the shapes of airborne vertical profiles with high fidelity. WRF meteorology gives superior model performance compared with standard meteorological products, and the impact of including WRF convective mass fluxes in the STILT trajectory calculations is significant in individual cases. Important biases in the simulation are associated with the nighttime CO2 build-up and subsequent morning transition to convective conditions, and with errors in the advected lateral boundary condition. Comparison of STILT simulations driven by the WRF model against those driven by the Brazilian variant of the Regional Atmospheric Modeling System (BRAMS) shows that model-to-model differences are smaller than between an individual transport model and observations, pointing to systematic errors in the simulated transport. Future developments in the WRF model s data assimilation capabilities, basic research into the fundamental aspects of trajectory calculations, and intercomparison studies involving other transport models, are possible venues for reducing these errors. Overall, the STILT/WRF/VPRM offers a powerful tool for continental and regional scale carbon flux estimates.

Eluszkiewicz, Janusz↗

Theoretical methods to design and test quantum simulators for the compact Abelian Higgs model

The lattice compact Abelian Higgs model is a nonperturbative regularized formulation of low-energy scalar quantum electrodynamics. In 1+1 dimensions, this model can be quantum simulated using a ladder-shaped optical lattice with Rydberg-dressed atoms. In this setup, one spatial dimension is used to carry the angular momentum of the quantum rotors. One can use truncations corresponding to spin-2 and spin-1 to build local Hilbert spaces associated with the links of the lattice. We argue that ladder-shaped configurable arrays of Rydberg atoms can be used for the same purpose. We make concrete proposals involving two and three Rydberg atoms to build one local spin-1 space (a qutrit). We show that the building blocks of the Hamiltonian calculations are models with one and two spins. We compare target and simulators using perturbative and numerical methods. The two-atom setup provides an easily controllable simulator of the one-spin model while the three-atom setup involves solving nonlinear equations. We discuss approximate methods to couple two spin-1 spaces. The article provides analytical and numerical tools necessary to design and build the proposed simulators with current technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗