Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Energy Simulation”

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

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,081 records · Page 60

An Open-Source Framework for Characterizing Urban Energy Models: Integrating Top-Down and Bottom-Up Methods to Predict Residential Buildings Characteristics: Preprint

Bottom-up urban energy models are crucial for understanding current energy use patterns and informing design strategies. However, accurately characterizing these models to represent different communities remains a challenge due to the extensive data needed for simulating existing energy use behavior. This data includes information related to human activities and building characteristics, all of which correlate with socioeconomic factors. To overcome this challenge, we developed an automated framework that utilizes both top-down and bottom-up data, to predict unknown building and occupant characteristics that are needed for more accurate and equitable modeling and analytics. Our framework, integrated into the URBANopt district energy modeling platform, uses statistical data models from ResStock. URBANopt models co-located buildings and neighborhoods. At this scale there are data gaps in building characteristic data, such as materials, insulation, occupancy, income, and energy usage of the buildings. To address this data gap, we use ResStock data, representative at the census tract scale, and develop machine-learning and deeplearning techniques to disaggregate it to individual buildings. By mapping unique occupant, building and economic properties to URBANopt energy models, we gain detailed insights into the variability of building energy use across different neighborhoods. This insight helps deploy technologies for co-located buildings and supports targeted upgrades for communities with unique economic and demographic characteristics, ensuring energy equity. Accurate characterization of energy models allows us to develop equitable strategies tailored to diverse neighborhoods, whether underserved or affluent. Our automated framework streamlines energy modeling and provides a reliable tool for building energy characterization.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗

Effect of Strain Field on Threshold Displacement Energy of Tungsten Studied by Molecular Dynamics Simulation

The influence of strain field on defect formation energy and threshold displacement energy (Ed) in body-centered cubic (BCC) tungsten (W) has been studied with molecular dynamics simulations. Two different W potentials (Fikar and Juslin) were compared and the results indicate that the connection distance and selected function linking the short-range and long-range portions of the potentials affects the threshold displacement energy and its direction-specific values. The minimum Ed direction calculated with the Fikar-potential is <100> and with the Juslin-potential is <111>. Nevertheless, the most stable self-interstitial configuration is found to be a <111>-crowdion for both potentials. This stable configuration does not change with applied strain. Varying the strain from compression to tension increases the vacancy formation energy but decreases the self-interstitial formation energy. The formation energy of a self-interstitial changes more significantly than a vacancy such that Ed decreases with applied hydrostatic strain from compression to tension.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pedestal transport in H-mode plasmas for fusion gain

The first high fidelity gyrokinetic simulations of the energy losses in the transport barriers of large tokamaks in pursuit of fusion gain are presented. These simulations calculate the turbulent energy losses with an extensive treatment of relevant physical effects—fully kinetic, non-linear, electromagnetic—inclusive of all major plasma species, and in equilibria with relevant shape and local bootstrap current for fusion-relevant cases. We find that large plasmas with a small normalized gyroradius lie in an unexpected regime of enhanced losses that can prevent the projected energy gain. Our simulations are qualitatively consistent with recent experiments on JET with an ITER-like wall. Interestingly and very importantly, the simulations predict parameter regimes of reduced transport that are quite fusion-favorable.

Kotschenreuther, M.↗

Open-source simulation platform for air source heat pump integrated with thermal energy storage

Here, this article introduces a modular simulation platform for assessing thermal energy storage (TES) integrated with air source heat pumps (ASHP). The Python platform is an open-source library that includes classes for modeling air-air and air-water heat pumps, TES devices, and the heating load of residential buildings. To validate the ASHP model, the study utilized experimental data obtained from a commercial heat pump evaluated at the National Renewable Energy Laboratory (NREL). The results indicate a mean deviation of 0.7% for COP across the operating range, with a maximum relative deviation of 12.6%. In terms of system heating capacity, the model had an average deviation of 4.3% compared to experimental results, with a maximum deviation of 8.2%. Three classes were implemented for modeling distinct types of TES devices: a generic TES based on energy balances, a sensible isothermal water tank, and a stratified water tank. Details of the mathematical models are provided, along with their respective strengths and limitations. An example is provided showcasing the integration of a residential 10 kWh thermal storage unit with an ASHP operating in Denver, CO. The comparison of two different discharge criteria for the TES unit highlights the importance of control strategies in the system performance.

25 ENERGY STORAGE↗

Impact of DER Communication Delay in AGC: Cyber-Physical Dynamic Co-Simulation: Preprint

Distributed energy resource (DER) frequency regulations are promising technologies for future grid operation. Unlike conventional generators, DERs might require open communication networks to exchange signals with control centers, possibly through DER aggregators; therefore, the impacts of the communication variations including the latency on the system frequency stability need to be investigated. This paper develops a cyber-physical dynamic simulation (CPDS) model based on the Hierarchical Engine for Large-Scale Co-Simulation (HELICS) to evaluate the impact of the communication variations, such as delays in DER frequency regulations. The feasible delay range can be obtained under different AGC parameter settings. The results show that the risk of instability generally increases with the communication delay and that the difference of AGC provided from DER and conventional generation units should be recognized when designing frequency regulation controllers.

61 RADIATION PROTECTION AND DOSIMETRY↗

Forced Reconnection in the Near Magnetotail: Onset and Energy Conversion in PIC and MHD Simulations

Using two-dimensional particle-in-cell (PIC) together with magnetohydrodynamic (MHD) Q1 simulations of magnetotail dynamics, we investigate the evolution toward onset of reconnection and the subsequent energy transfer and conversion. In either case, reconnection onset is preceded by a driven phase, during which magnetic flux is added to the tail at the high-latitude boundaries, followed by a relaxation phase, during which the configuration continues to respond to the driving. The boundary deformation leads to the formation of thin embedded current sheets, which are bifurcated in the near tail, converging to a single sheet farther out in the MHD simulations. The thin current sheets in the PIC simulation are carried by electrons and are associated with a strong perpendicular electrostatic field, which may provide a connection to parallel potentials and auroral arcs and an ionospheric signal even prior to the onset of reconnection. The PIC simulation very well satisfies integral entropy conservation (intrinsic to ideal MHD) during this phase, supporting ideal ballooning stability. Eventually, the current intensification leads to the onset of reconnection, the formation and ejection of a plasmoid, and a collapse of the inner tail. The earthward flow shows the characteristics of a dipolarization front: enhancement of Bz, associated with a thin vertical electron current sheet in the PIC simulation. Both MHD and PIC simulations show a dominance of energy conversion from incoming Poynting flux to outgoing enthalpy flux, resulting in heating of the inner tail. Localized Joule dissipation plays only a minor role.

two-dimensional↗

Coal conversion systems design and process modeling. Volume 1: Application of MPPR and Aspen computer models

The development of a coal gasification system design and mass and energy balance simulation program for the TVA and other similar facilities is described. The materials-process-product model (MPPM) and the advanced system for process engineering (ASPEN) computer program were selected from available steady state and dynamic models. The MPPM was selected to serve as the basis for development of system level design model structure because it provided the capability for process block material and energy balance and high-level systems sizing and costing. The ASPEN simulation serves as the basis for assessing detailed component models for the system design modeling program. The ASPEN components were analyzed to identify particular process blocks and data packages (physical properties) which could be extracted and used in the system design modeling program. While ASPEN physical properties calculation routines are capable of generating physical properties required for process simulation, not all required physical property data are available, and must be user-entered.

Source record↗

Impacts of Sub‐Grid Topographic Representations on Surface Energy Balance and Boundary Conditions in the E3SM Land Model: A Case Study in Sierra Nevada

Abstract Sub‐grid topographic heterogeneity has large impacts on surface energy balance and land‐atmosphere interactions. However, the impacts of representing sub‐grid topographic effects in land surface models (LSMs) on surface energy balance and boundary conditions remain unclear. This study analyzed and evaluated the impacts of sub‐grid topographic representations on surface energy balance, turbulent heat flux, and scalar (co‐)variances in the Energy Exascale Earth System Model (E3SM) land model (ELM). Three sub‐grid topographic representations in ELM were compared: (a) the default sub‐grid structure (D), (b) the recently developed sub‐grid topographic structure (T), and (c) high spatial resolution (1KM). Additionally, two different solar radiation schemes in ELM were compared: (a) the default plane‐parallel radiative transfer scheme (PP) and (b) the parameterization scheme (TOP) that accounts for sub‐grid topographic effects on solar radiation. A series of offline simulations with the three grid discretization structures (D, T, and 1KM) and two schemes of solar radiation (TOP and PP) were carried out using the Sierra Nevada, California. 1KM simulations with TOP well capture the spatial heterogeneity of surface fluxes compared to Moderate Resolution Imaging Spectroradiometer remote sensing data. There are significant differences between TOP and PP in the 1‐km simulated surface energy balance, but the differences in mean values and standard deviations become small when aggregated to the grid scale (i.e., 0.5°). The T configuration better mimics the 1KM simulations with TOP than the D configuration and better captures the sub‐grid topographic effects on surface energy balance and boundary conditions. These results underline the importance of representing sub‐grid topographic heterogeneities in LSMs and motivate future research to understand the sub‐grid topographic effects on land‐atmosphere interactions over mountainous areas.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

An energy-limited model of algal biofuel production: Toward the next generation of advanced biofuels

Algal biofuels are increasingly important as a source of renewable energy. The absence of reliable thermodynamic and other property data, and the large amount of kinetic data that would normally be required have created a major barrier to simulation. Additionally, the absence of a generally accepted flowsheet for biofuel production means that detailed simulation of the wrong approach is a real possibility. This model of algal biofuel production estimates the necessary data and places it into a heuristic model using a commercial simulator that back-calculates the process structure required. Furthermore, complex kinetics can be obviated for now by putting the simulator into energy limitation and forcing it to solve for the missing design variables, such as bioreactor surface area, productivity, and oil content. The model does not attempt to prescribe a particular approach, but provides a guide towards a sound engineering approach to this challenging and important problem.

09 BIOMASS FUELS↗

Development of a System for Measuring the Shape of β Spectra Using a Semiconductor Si Detector

A system for the measurement of beta energy spectra has been developed. It is based on a silicon semi-conductor detector operating at liquid nitrogen temperatures, under ultra high-vacuum. Monte-Carlo simulations were made to optimize the detection chamber and the source holder. Descriptions of the electronic and mechanical systems are included, as well as the first measured spectra.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Energy Storage Participation Algorithm Competition Overview: Market simulation, divisions, stages, storage attributes, and scoring

The Energy Storage Participation Algorithm Competition (ESPA-Comp) aims to assess the performance of participants’ battery storage offer algorithms on their ability to maximize the value of battery storage resources under three different market designs: two-settlement, multi-settlement, and rolling horizon forward markets. This document describes the overall design of the competition at a high level.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Collapse and revival of photoinduced oscillations in the optical reflectivity of bismuth

The average optical reflectivity of bismuth as a function of time t after irradiation by a short laser pulse has been calculated. The amplitude A of photoinduced oscillations in the average optical reflectivity is shown to have extrema under certain conditions. The time τ{sub j} (j is a natural number) at which the amplitude A reaches the jth extremum has been calculated. The calculated dependences of the times τ{sub 1} and τ{sub 2} at which, respectively, the first and second extrema (the first minimum and the first maximum) of the amplitude A are reached on the maximum laser pulse energy density Q are consistent with the experimental data from.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Zoomed high-resolution simulations of Multi-coupled Dark Energy: cored galaxy density profiles at high redshift

We perform for the first time high-resolution zoom-in re-simulations of individual halos in the context of the Multi-coupled Dark Energy (McDE) scenario, which is characterised by the existence of two distinct Dark Matter particle species with opposite couplings to a Dark Energy scalar field. We compare the structural properties of the simulated halos to the standard ΛCDM results. The zoomed-in initial conditions are set up using a specifically designed code called ZInCo that we publicly release along with the present paper. Our numerical results allow to investigate in detail and with unprecedented resolution the halo segregation process that characterises McDE cosmologies from its very early stages. In particular, we find that in contrast to what could be inferred from previous numerical analysis at lower resolution, the segregation process is already in place at redshifts as high as z ∼ 7. Most remarkably, we find that the subsequent evolution of the segregation leads to the formation of cored total matter density profiles with a core size that progressively increases in time. The shape of the cored profiles can be accurately predicted as the superposition of two NFW profiles with an increasing offset, thereby confirming the interpretation of the simulations results in terms of the segregation of the two dark matter components of the halo as a consequence of their different coupling to the Dark Energy field.

79 ASTRONOMY AND ASTROPHYSICS↗

Strong adsorption of guanidinium cations to the air–water interface

Combining Deep-UV second harmonic generation spectroscopy with molecular simulations, we confirm and quantify the specific adsorption of guanidinium cations to the air–water interface. Using a Langmuir analysis of measurements at multiple concentrations, we extract the Gibbs free energy of adsorption, finding it larger than typical thermal energies. Molecular simulations clarify the role of polarizability in tuning the thermodynamics of adsorption, and establish the preferential parallel alignment of guanidinium at the air–water interface. As a polyatomic cation, guanidinium represents one of the few examples of a positively charged species to exhibit a propensity for the air-water interface. As such, these results expand on the growing body of work on specific ion adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The GEWEX Process Evaluation Study: GEWEX-PROES

Progress in realistically simulating the energy and water cycles in weather and climate models has been slower than desirable. Climate models submitted to the Coupled Model Intercomparison Project Phase-5 (CMIP-5), while more comprehensive than their predecessors, have shown little to no improvement in their biases in simulating key features of the climate system. As a result, uncertainties in global climate and hydrological sensitivities, and in the simulation of regional climate change, have not been reduced significantly. It is time to make use of these opportunities to significantly advance our understanding of key energy and water cycle processes at a wide range of space and time scales, and to provide a more insightful evaluation of the representation of these processes within models. This will require new ways of both analyzing the observations and diagnosing model behavior. The keys to success will be in skillfully combining different data sets and exploring relationships between them, as well as in the ability of models to reproduce those relationships correctly. In response to this challenge, a new GEWEX-wide activity, the GEWEX Process Evaluation Study, will take advantage of the opportunities that the combination of many of the existing data sets provide.

climate models↗

Efficient simulation of optical spectra via machine learning and physical decomposition of environmental effects

Simulations of optical spectra can provide key insights to aid experimental interpretation of electronic excitation phenomena. For chromophores in the condensed phase, these spectra, which incorporate the coupling between electronic excitation and molecular and solvent nuclear motions, can be simulated using excitation energies obtained from molecular dynamics simulations of the chromophore and solvent. Here, we present a hybrid scheme that exploits machine learning and physically informed spectral densities to show that as few as 25 ground and excited state energetic gradient calculations can be used to construct models that accurately predict environment-influenced vibronic coupling in optical spectra. We demonstrate our approach for the green fluorescent protein chromophore in water and the cresyl violet chromophore in methanol. We show that our hybrid approach, employing a machine learning model for the high-frequency spectral density and an ab initio parameterized Debye spectral density for the low-frequency, results in a systematic improvement of the optical absorption lineshape, leading to a simple machine learning scheme that can be used for the simulation of spectral densities and optical spectra.

Snider, Andrew [Univ. of California, Merced, CA (U↗

SU-F-T-667: Development and Validation of Dose Calculation for An Open-Source KV Treatment Planning System for Small Animal Radiotherapy

Purpose: An open-source, convolution/superposition based kV-treatment planning system(TPS) was developed for small animal radiotherapy from previously existed in-house MV-TPS. It is flexible and applicable to both step and shoot and helical tomotherapy treatment delivery. For initial commissioning process, the dose calculation from kV-TPS was compared with measurements and Monte Carlo(MC) simulations. Methods: High resolution, low energy kernels were simulated using EGSnrc user code EDKnrc, which was used as an input in kV-TPS together with MC-simulated x-ray beam spectrum. The Blue Water™ homogeneous phantom (with film inserts) and heterogeneous phantom (with film and TLD inserts) were fabricated. Phantom was placed at 100cm SSD, and was irradiated with 250 kVp beam for 10mins with 1.1cm × 1.1cm open field (at 100cm) created by newly designed binary micro-MLC assembly positioned at 90cm SSD. Gafchromic™ EBT3 film was calibrated in-phantom following AAPM TG-61 guidelines, and were used for measurement at 5 different depths in phantom. Calibrated TLD-100s were obtained from ADCL. EGS and MNCP5 simulation were used to model experimental irradiation set up calculation of dose in phantom. Results: Using the homogeneous phantom, dose difference between film and kV-TPS was calculated: mean(x)=0.9%; maximum difference(MD)=3.1%; standard deviation(σ)=1.1%. Dose difference between MCNP5 and kV-TPS was: x=1.5%; MD=4.6%; σ=1.9%. Dose difference between EGS and kV-TPS was: x=0.8%; MD=1.9%; σ=0.8%. Using the heterogeneous phantom, dose difference between film and kV-TPS was: x=2.6%; MD=3%; σ=1.1%; and dose difference between TLD and kV-TPS was: x=2.9%; MD=6.4%; σ=2.5%. Conclusion: The inhouse, open-source kV-TPS dose calculation system was comparable within 5% of measurements and MC simulations in both homogeneous and heterogeneous phantoms. The dose calculation system of the kV-TPS is validated as a part of initial commissioning process for small animal radiotherapy. The kV-TPS has the potential for accurate dose calculation for any kV treatment or imaging modalities.

60 APPLIED LIFE SCIENCES↗