SEARCH · Engineering Papers

Results for “Monte Carlo Modelling”

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.

SourceResearch connectionFrom yearThrough year

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

At least 883 records · Page 49

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Direct Monte Carlo Simulations of Chemical Equilibrium Composition of Molecular Fluid Mixtures Under Shock Conditions

A new Monte Carlo simulation method is implemented which holds the number and kind of atoms constant rather than the number and kind of molecules for a molecular fluid mixture. Chemical reactions are allowed as a correlated move of atoms such as an interchange of atoms between molecules. Equilibrium chemical composition is determined as an average over the simulation along with equation of state quantities. Results are presented for N 2 + O 2 → 2NO at 30GPa and 3000K. The equilibrium composition is shown to be sensitive to the potentials between unlike species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

First operation and validation of simulations for the divertor cryo-vacuum pump in Wendelstein 7-X

Ten cryo-vacuum pumps (CVPs) were installed in the subdivertor region of each island divertor in the stellarator Wendelstein 7-X (W7-X) and operated for the first time during the recently completed plasma campaign OP2.1. A pumping speed of 70 ± 1 $\frac{m^3}{s}$ was measured during dedicated tests with known hydrogen gas injection. Based on a conductance model, the estimated pumping speed ranges from 86-93 $\frac{m^3}{s}$ for different sticking coefficients between 0.6 and 0.8. After completion of the initial tests the CVPs were operated successfully throughout the campaign, with regeneration performed once a week. Neutral gas pressures in the subdivertor in the range of 10 −4 mbar are well within the molecular flow regime and limit the particle exhaust capabilities of the CVPs. Simulations of the neutral gas pressure in the three-dimensional complex geometry of the subdivertor were performed using the DIVGAS code based on the direct simulation Monte Carlo method and a model implemented in the steady-state thermal package in ANSYS, which are in agreement with the measured values during plasma operation.

Cryo-vacuum pumping↗

DOE OSTI2023

Model to inform the expansion of hydrogen distribution infrastructure

A growing hydrogen economy requires new hydrogen distribution infrastructure to link geographically distributed hubs of supply and demand. The Hydrogen Optimization with Deployment of Infrastructure (HOwDI) Model helps meet this requirement. The model is a spatially resolved optimization framework that determines location-specific hydrogen production and distribution infrastructure to cost-optimally meet a specified location-based demand. While these results are useful in understanding hydrogen infrastructure development, there is uncertainty in some costs that the model uses for inputs. Thus, the project team took the modeling effort a step further and developed a Monte Carlo methodology to help manage uncertainties. Seven scenarios were run using existing infrastructure and new demand in Texas exploring different policy and tax approaches. The inclusion of tax credits increased the percentage of runs that could deliver hydrogen at <$\$4$ /kg from 31% to 77% and decreased the average dispensed cost from $\$4.35$ /kg to $\$3.55$ /kg. However, even with tax credits there are still some runs where unabated SMR is deployed to meet new demand as the low-carbon production options are not competitive. Every scenario, except for the zero-carbon scenario (without tax credits), resulted in at least 20% of the runs meeting the $\$4$ /kg dispensed fuel cost target. This indicates that multiple pathways exist to deliver $\$4$ /kg hydrogen.

08 HYDROGEN↗

DOE OSTI2025

Comparing Control Performance Between Simulation and Experiment using the Microreactor Automated Control System Testbed

In the advanced reactor domain, a flexible and scalable software/hardware infrastructure is crucial for integrating and validating various control technologies. This study used the Microreactor Automated Control System (MACS) hardware platform as a testbed. MACS was originally designed to mirror Idaho National Laboratory (INL)'s Microreactor Applications Research Validation and Evaluation (MARVEL), a 85-kW thermal fission microreactor. It features control drums for simulated reactivity control; lights that function as a surrogate reactor core, with the brightness being proportional to the reactor power; and light sensors that emulate neutron detectors. To transform MACS into a physical twin of MARVEL for evaluating control methods, the Control and Optimization Modular Modeling Application for Nuclear Deployment (COMMAND) software was employed. This software integrated the hardware with two models of the MARVEL core, based on Reactor Excursion and Leak Analysis Program (RELAP5-3D) and Monte Carlo N-Particle (MCNP) models. The study aimed to demonstrate the gap between control theory and actual practice—a gap that often necessitates empirical adjustments such as control gain retuning, filters, time discretization, and integrator anti-windup measures. Controllers were developed based on increasingly complex simulations without hardware, starting from the base MARVEL model and then introducing actuator saturation constraints and sensor noise. The final control strategy was then tested using MACS, and a comparative performance analysis was conducted.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2020

Molten Salt Reactor Experiment Benchmark Evaluation

As one of the six advanced reactor concepts selected by the 2002 Generation IV roadmap as a technology meriting future research, Molten Salt Reactors (MSRs) attracted broad attention and multiple private and public entities are working towards its commercialization. Facing stringent regulatory requirements, validations of computational codes used to calculate and prove the safety characteristics of MSRs play a key role. This project developed the world-first, MSR-related reactor physics benchmark based on a series of zero-power experiments conducted at the Molten Salt Reactor Experiment (MSRE). The benchmark was successfully reviewed by the International Reactor Physics Experiment Evaluation Project (IRPhEP) committee and is available in the IRPhEP handbook starting form the 2019 edition. To benchmark experimental data from the MSRE, a three-dimensional high-fidelity model was developed using the Monte Carlo neutron transport code Serpent 2 and ad-hoc methods have been implemented to account for the unique feature of fuel salt motion. The calculated effective multiplication factor, k eff , for the first criticality experiment, when 235 U was progressively added to the fuel salt in order to achieve criticality with stationary salt and isothermal conditions, was 1.02132 (±3 pcm). The total uncertainty for experimental k eff was estimated to be 420 pcm. The calculated k eff is 2.154% larger than the experimental and benchmark model value, which is approximately five times the benchmark model uncertainty. It is to be noted that, for systems containing large volume of graphite (or other carbonaceous materials), Monte Carlo codes tend to overestimate the keff of the benchmark model by 1% to 2%. The bias is possibly due to uncertainties in the impurity content of the graphite blocks, uncertainty in the neutron capture cross section of carbon or uncertainty in the properties of nuclear-grade graphite. The calculated reactivity coefficient of 235 U concentration (0.2228 ± 0.0014, represented as the change of reactivity over the relative change of 235 U mass in loop) matches well with the experimental value (0.223 ± 0.006), strengthening the confidence on the accurate representation of the fuel salt composition in the MSRE benchmark. Additional reactivity effect calculations, including the control rod bank worth, reactivity effects of fuel circulation and isothermal and fuel temperature coefficients show good agreement with the experimental values (within 1σ) as well.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1976

Molecular beam mass spectrometer development

An analytical model, based on the kinetics theory of a drifting Maxwellian gas is used to determine the nonequilibrium molecular density distribution within a hemispherical shell open aft with its axis parallel to its velocity. The concept of a molecular shield in terrestrial orbit above 200 km is also analyzed using the kinetic theory of a drifting Maxwellian gas. Data are presented for the components of the gas density within the shield due to the free stream atmosphere, outgassing from the shield and enclosed experiments, and atmospheric gas scattered off a shield orbiter system. A description is given of a FORTRAN program for computating the three dimensional transition flow regime past the space shuttle orbiter that employs the Monte Carlo simulation method to model real flow by some thousands of simulated molecules.

Brock, F. J.↗

DOE OSTI2025

Diagrammatic Monte Carlo Approach to Real‐frequency Response Functions and the Spin‐Fermion Model of Hot Spots (Final Report)

This three‐year research project was focused on two outstanding condensed matter problems (i) Real‐frequency response functions in Coulomb systems at finite temperature, and Fermi surface (FS) reconstruction in the Spin-Fermion (SF) model. The uniform electron gas (jellium) model, describing electrons interacting via long‐range Coulomb forces on positive neutralizing background, is fundamentally important both for understanding the physics of correlated electrons and for formulation of the time‐dependent density functional theory (TDDFT). The spin-fermion model has found a wide range of applications in the physics of cuprates and iron‐based superconductors to explain the “strange metal" behavior and to suggest a possible pairing mechanism for high‐temperature superconductivity. The project’s goals were development and application of the Diagrammatic Monte Carlo (DiagMC) techniques for solving the above problems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRSDate not supplied

A Sample/Jitter Monte Carlo Technique for Main Parachute Loads Predictions

Models for Orion parachute performance are based on reconstructions of the Capsule Parachute Assembly System (CPAS) drop test campaign and were documented in the CPAS “Model Memo.” Experience with similar Commercial Crew Program (CCP) parachute systems resulted in some updates to the Orion models in preparation for Artemis missions. The reefing cutter dispersion model for the drogues and mains had been overly-conservative by producing wide timing differences within clusters. A higher-fidelity timing model was generated by separating out in-lot variation and temperature effects. The main parachute inflation model had accounted for some correlations between parameters using complicated 2-D geometric bounding, but the results tended to exaggerate individual peak loads from fast (leading) inflations and under-emphasize actual lagging experience. Several flight tests were reconstructed again with an emphasis on matching peak load magnitudes using a search algorithm. A simpler method for generating inflation parameters uses the 3-D correlated reconstructed “samples” with some random “jitter” applied. Dispersed Monte Carlo inputs are then checked against flight test data to evaluate whether they represent reality.

parachutes↗

DOE OSTI2023

Fluctuating intertwined stripes in the strange metal regime of the Hubbard model

Strongly correlated electron systems host a variety of poorly understood correlations in their high-temperature normal state. Unlike ordered phases defined by order parameters, regions of the normal state are often defined through unconventional properties such as strange metallic transport or spectroscopic pseudogaps. Characterizing the microscopic correlations in the normal state is necessary to elucidate mechanisms that lead to these properties and their connection to ground-state orders. Here, in this paper, we establish the presence of intertwined charge and spin stripes in the strange metal normal state of the Hubbard model using determinant quantum Monte Carlo calculations. The charge and spin density waves constituting the stripes are fluctuating and short ranged; yet they obey a mutual commensurability relation and remain microscopically interlocked, as evidenced through measurements of three-point spin-spin-hole correlation functions. Our findings demonstrate the ability of many-body numerical simulations to unravel the microscopic correlations that define quantum states of matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1989

A Monte Carlo/response surface strategy for sensitivity analysis: application to a dynamic model of vegetative plant growth

We describe the application of a strategy for conducting a sensitivity analysis for a complex dynamic model. The procedure involves preliminary screening of parameter sensitivities by numerical estimation of linear sensitivity coefficients, followed by generation of a response surface based on Monte Carlo simulation. Application is to a physiological model of the vegetative growth of soybean plants. The analysis provides insights as to the relative importance of certain physiological processes in controlling plant growth. Advantages and disadvantages of the strategy are discussed.

Non-NASA Center↗

DOE OSTI2021

Antiferromagnetic character of the quantum phase transition in the Hubbard model on the honeycomb lattice

In this work we provide a unified, comprehensive treatment of all operators that contribute to the antiferromagnetic, ferromagnetic, and charge-density-wave structure factors and order parameters of the hexagonal Hubbard Model. We use the Hybrid Monte Carlo algorithm to perform a systematic, carefully controlled analysis in the temporal Trotter error and of the thermodynamic limit. We expect our findings to improve the consistency of Monte Carlo determinations of critical exponents. We perform a data collapse analysis and determine the critical exponent β = 0.898 (37) for the semimetal-Mott insulator transition in the hexagonal Hubbard Model. Our methods are applicable to a wide range of lattice theories of strongly correlated electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Implementation of Triply Periodic Minimal Surfaces (TPMS) as surface objects in OpenMC

Triply Periodic Minimal Surfaces (TPMS) represent a promising geometry for future fuel designs due to their significant surface-to-volume ratio, which facilitates efficient cooling of nuclear fuel, a crucial factor for safety and efficiency. Demonstrating the remarkable capabilities of TPMS fuel requires initial modeling and simulation. This paper presents an implementation of TPMS in the Monte Carlo code OpenMC, enabling reactor physics modeling of TPMS. Here, the primary advantages over traditional methods using CAD files include reduced memory requirements for computations and high-fidelity implementation. This implementation has been tested against CAD files loaded in Serpent2, yielding promising results with low biases in the $k_{\textrm{eff}}$, comparable to biases in the material balance sheet. The implementation presented in this work will be used in future reactor physics computations related to new reactor designs involving TPMS-based fuels.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Zero Power Reactor Database (ZPRD) Development Plan

Past sodium-cooled fast reactors (SFR) were built with an active experimental program in place to support the design and development work. Most of the experimental facilities in the United States that were important for SFR design were shutdown in the 1980s and 1990s. Reactor licensing and construction requires any reactor design to be verified against existing reactor facilities or experimental measurements. With the absence of those experimental facilities, modern SFR projects must rely on historical measurements to demonstrate that the engineering modeling software and data being used for the new reactor design work are reliable. There has been a considerable push in the last 6 years by both DOE and commercial companies to obtain historical experimental measurements that are relevant for SFRs, in particular those with features that are important for the new reactor designs of interest. The zero power reactor experiments carried out at Argonne National Laboratory’s critical facilities (ZPR-3, ZPR-6, ZPR-9, and ZPPR) from the 1950s to the 1980s are some of the best reactor physics experiments on SFR technology that are available today. Of particular interest today are the ZPPR-15 measurements done at the ZPPR facility for the Integral Fast Reactor project in the 1980s as they are in line with most commercial and DOE interests today. In the past 10 years, the measurements done on ZPPR-15 have been processed into both Monte Carlo (MCNP) and deterministic models (MC2-3 and DIF3D) useable for validating the engineering modeling software for key parts of the SFR design work. To achieve this, a detailed model description must be created for the experiment and the experimental measurement that the engineering modeling software is to reproduce. Then, an assessment of the uncertainty on the measured quantity which considers all of the sources of uncertainty in defining the model must be obtained and documented. The models created for ZPPR-15 provide the best validation basis available today for neutronics modeling software. Reference 2 is a good resource to understand how these models were built and how the uncertainties on the measured quantities were derived. The intention of the Zero Power Reactor Database (ZPRD), hosted at frdb.ne.anl.gov, is to make available the experimental measurements and models that have been constructed to-date. Though ZPPR-15 measurements are the primary data requested for validation needs, other measurements on ZPPR, ZPR-6, and ZPR-9 in support of the Clinch River Breeder Reactor (CRBR) and Fast Test Reactor (FFTF) should also be considered important for future software validation needs. In this manuscript, the details of available measurements on ZPR-3, ZPR-6, ZPR-9, and ZPPR facilities are summarized, and a general organization of the web interface is displayed. Many of the documents associated with the measurements are export controlled information so access to the database will also have to be controlled.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Validation of realistic Monte Carlo plasma gamma-ray source on JET discharges

A novel modelling methodology has been developed for the creation of a realistic plasma gamma-ray source for Monte Carlo transport simulations in the tokamak JET. The methodology couples the TRANSP code for plasma transport calculations with the MCNP Monte Carlo particle transport code, thus connecting plasma physics with gamma-ray transport. Here, we present the validation of the developed source methodology by comparing calculated gamma-ray spectra with measurements performed at JET. The validation focuses on gamma-ray spectra measured by the tangential gamma-ray spectrometer during two JET three ion RF scenario discharges, performed in the JET 2019 deuterium experimental campaign. For validation the calculated plasma gamma-ray spectrum was combined with the neutron induced prompt gamma-ray background, originating in the vacuum vessel, and scaled to absolute values calculating the total number of plasma gamma-ray and neutron emitting reactions. The comparison between calculated and measured gamma-ray spectra shows good agreement with the shape of the calculated gamma-ray spectra matching that of measurements for both studied discharges. Moreover, the calculated absolute values of the gamma-ray spectra were of the same order of magnitude at the position of the gamma-ray detector located at the end of a long line-of-sight in a biological shield. Finally, the comparison has validated the developed plasma gamma-ray source methodology for MCNP photon transport calculations at JET. The validation provides a basis for the developed plasma gamma-ray source to be used as a support for the development of future tokamaks such as DEMO.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2005

Probabilistic Design of a Wind Tunnel Model to Match the Response of a Full-Scale Aircraft

approach is presented for carrying out the reliability-based design of a plate-like wing that is part of a wind tunnel model. The goal is to design the wind tunnel model to match the stiffness characteristics of the wing box of a flight vehicle while satisfying strength-based risk/reliability requirements that prevents damage to the wind tunnel model and fixtures. The flight vehicle is a modified F/A-18 aircraft. The design problem is solved using reliability-based optimization techniques. The objective function to be minimized is the difference between the displacements of the wind tunnel model and the corresponding displacements of the flight vehicle. The design variables control the thickness distribution of the wind tunnel model. Displacements of the wind tunnel model change with the thickness distribution, while displacements of the flight vehicle are a set of fixed data. The only constraint imposed is that the probability of failure is less than a specified value. Failure is assumed to occur if the stress caused by aerodynamic pressure loading is greater than the specified strength allowable. Two uncertain quantities are considered: the allowable stress and the thickness distribution of the wind tunnel model. Reliability is calculated using Monte Carlo simulation with response surfaces that provide approximate values of stresses. The response surface equations are, in turn, computed from finite element analyses of the wind tunnel model at specified design points. Because the response surface approximations were fit over a small region centered about the current design, the response surfaces were refit periodically as the design variables changed. Coarse-grained parallelism was used to simultaneously perform multiple finite element analyses. Studies carried out in this paper demonstrate that this scheme of using moving response surfaces and coarse-grained computational parallelism reduce the execution time of the Monte Carlo simulation enough to make the design problem tractable. The results of the reliability-based designs performed in this paper show that large decreases in the probability of stress-based failure can be realized with only small sacrifices in the ability of the wind tunnel model to represent the displacements of the full-scale vehicle.

Mason, Brian H.↗

NASA NTRS2018

Pterodactyl: Integrated Control Design for Precision Targeting of Deployable Entry Vehicles

Deployable Entry Vehicles (DEVs) enable in-situ scientific exploration at destinations with atmospheres across the solar system. Because they stow in a compact form and deploy only when ready to enter the atmosphere, DEVs relax the volume constraint imposed by rigid aeroshells. This work seeks to do for a DEV what the Wright Brothers did to propel modern day aviation: develop the guidance and control (G&C) methods that will make maneuvering and precision landing of DEV a reality. The Pterodactyl project objective is to deliver an integrated G&C methodology for a DEV, based on a detailed analysis that utilizes a Multi-disciplinary, Design, Analysis and Optimization (MDAO) framework. The current state-of-the-art for blunt body entry, G&C is rooted in the precision landing of vehicles such as Mars Science Laboratory (MSL) and Apollo, which used a propulsive reaction control system (RCS) to steer. Recent research has taken a particular interest in non-propulsive control for DEVs, including direct force control (angle of attack modulation via control surfaces or mass movement) and drag modulation (discrete change in ballistic coefficient). Using the MDAO framework that includes a guidance and control model to explore multiple control concepts for a DEV will shed light on the best design approach for these vehicles. In Pterodactyl, we will complete this study for a novel DEV concept, and then we will fabricate a functional prototype to help validate the design. The project is expected to down-select to a final control architecture by the end of 2018, and complete fabrication of the prototype by the end of 2019.The DEV chosen for detailed study in this project is the Adaptable Deployable Entry and Placement Technology (ADEPT). ADEPT uses a revolutionary 3D-woven carbon fabric that is foldable, can serve as primary structure, and can survive the extreme heating environment of atmospheric entry. The specific configuration of ADEPT under investigation is called Lifting Nano-ADEPT (LNA). LNA is designed for secondary payloads missions that require precision landing either for scientific objectives at a target destination or for payload recovery at Earth.The MDAO framework being created through this research, called COBRA-Pt (Composite Beam Roll-Up Solar Array-Prototype), will combine three critical elements of the system design: a guidance algorithm with Monte Carlo, a parametric control model, and vehicle geometry details. Novel control models being studied are deployable aerodynamic surfaces as well as shape morphing. These concepts will be compared at the system level with a more traditional propulsive RCS by comparing several key performance parameters. Upon completion of the design study, a functional prototype of LNA will be fabricated that will include the integration of guidance software and relevant control actuators. We expect this study will provide critical data that could feed into the development of an Earth-based flight test of LNA. The COBRA-Pt framework will provide a modular system by which to study any DEV concept in any atmosphere.

Smith, Brandon↗

DOE OSTI2025

Grain Boundary-Limited Thermal Transport in Suspended Thin Graphite across an Unexplored Thickness Regime

Here, we present systematic thermal conductivity (κ) measurements of suspended thin graphite ribbons, 234–527 nm thick, using a four-probe 3ω method. Unlike recent reports of phonon hydrodynamics and exceptionally high κ in micrometer-thick graphite ( Science, 2020), we observe significantly lower κ and no signatures of collective phonon flow in this intermediate thickness regime. Instead, our measured κ lies between few-layer graphene and bulk graphite. These results agree with a first-principles-informed Peierls–Boltzmann transport model with spatially resolved Monte Carlo sampling. Additionally, the temperature for the peak κ shifts lower with increasing thickness, due to the interplay of phonon-boundary and phonon-isotope scattering. Incorporating grain boundary scattering into simulations is necessary to replicate the experimental trends. These findings delineate the boundary between ballistic, hydrodynamic, and diffusive transport regimes in graphite and underscore the dominant role of disorder and geometry in phonon transport in quasi-two-dimensional materials, offering insights for nanoscale thermal management.

Boltzmann transport model↗

NASA NTRSDate not supplied

Performance Risk Model (PRisM) Proof-of-Concept: An Operational Decision Support Tool to Predict Crew Performance in Space from Available Performance Tests

The Crew Health and Performance-Probabilistic Risk Assessment (CHP-PRA) team at NASA Glenn Research Center has developed a range of tools to evaluate astronaut health during spaceflight and to optimize the medical set required for missions. Among these, the Performance Risk Model (PRisM) represents a novel advancement, extending CHP-PRA’s focus beyond medical systems into the domain of human performance. Such tool could be pivotal in optimizing astronaut capabilities during space travel, thereby enhancing overall mission success. PRisM leverages data from well-established performance assessments conducted during previous crewed space missions and Earth analogs to strategically predict outcomes for planned tasks, even when direct performance testing has not been conducted for those specific tasks. To evaluate performance, PRisM references the various metrics outlined in NASA-STD-3001 and employs a methodology to integrate different performance scales. This framework analyzes the contribution of various human system task categories (HSTCs) to task execution and compares these contributions to the HSTCs’ involvement in other known tests. The model further employs a Monte Carlo simulation to sample performance scores from their distribution in operationally relevant tests such as those in Mulavara et al. (2018) and, by leveraging similarities in HSTC involvement, transfers this knowledge to actual mission tasks, such as those outlined in the "Human Exploration of Mars: Preliminary List of Crew Tasks”. The current PRisM proof-of-concept includes analyses of the impact of exercise and specific medications on astronauts’ performance, with provisions to incorporate additional countermeasures as data becomes available. Furthermore, the tool is customizable to include any system necessary to fully encompass the domain of human systems and can be adapted to evaluate performance for any spaceflight activities as requested by operational stakeholders. PRisM has the potential to assist the Human Research Program in exploring the capabilities trade space for optimized crew performance.

performance modeling↗