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At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Hands-on with OWL: the Oak–Ridge Wang–Landau Monte Carlo software suite

The Oak–Ridge Wang–Landau (OWL) package is an open-source scientific software specialized for large-scale, Monte Carlo simulations for the study of materials properties at finite temperature. In this paper, we discuss the main features and capabilities of OWL, followed by detailed descriptions of building and running the code. The readers will be guided through the usage and functionality of the code with a few hands-on examples. This paper is based on a tutorial on OWL given at the 32nd Center for Simulational Physics Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics.

Li, Ying Wai↗
NASA NTRSDate not supplied

Probabalistic Risk Analysis and Thermal Margin Process for an Inflatable Aeroshell

Uncertainties always exist in atmospheric entry aeroheating environments and the thermal response of thermal protection system (TPS) material. These uncertainties are mitigated in the design by ap-plying margin and factors of safety to the TPS. Entry vehicle TPS is often conservatively over-sized for the heat loads that are experienced along the entry trajectory by stacking worst-case scenarios together. Additionally, the current TPS design and margin process used by NASA offers very little insight into the risk of over-temperature during flight and the reliability of the heat shield performance [1,3]. A probabilistic margin process can be used to calculate the amount of TPS margin necessary to survive a given entry heat load at a specified level of risk [2,3,4]. The vehicle’s initial entry state (entry velocity, flight path angle, and entry mass) determines the expected atmospheric entry environmental conditions and resulting heat load that the entry vehicle will experience. If there is flexibility in the entry state, then this process can be used to select an appropriate combination of entry state parameters and TPS size to target a desired reentry reliability. This probabilistic margin process allows engineers to make informed aeroshell design, entry-trajectory design, and TPS performance risk trades while preventing excessive TPS margin from being applied. The probabilistic TPS margin process has been performed to determine TPS thickness and entry heating constraints given an acceptable risk level for the Low Earth Orbit Flight Experiment of an Inflatable Decelerator (LOFTID) flight project. The process is used in a manner to size the entry heat load for a given flexible TPS (FTPS) thickness so that it meets project reliability standards while allowing the FTPS and the underlying inflatable structure (IS) to be pushed to adequately high temperatures. Since the LOFTID project is an experimental flight demonstration, it is de-sired to drive the FTPS and IS to temperatures that cover a large range of their thermal response models’ applicability. This will allow the thermal response models to be better improved and validated post-flight using LOFTID’s extensive instrumentation embedded within the aeroshell. The presentation demonstrates how uncertainty analysis is carried out using an end-to-end Monte Carlo process where three separate Monte Carlo simulations are run in sequence. The first Monte Carlo simulation operates on the entry trajectory model to generate trajectory parameter dispersions that are fed into the second Monte Carlo simulation. The second Monte Carlo simulation operates on the aerothermodynamics model to generate aeroheating parameter dispersions that are fed into the third Monte Carlo simulation. The third Monte Carlo simulation operates on the FTPS material thermal response model to generate the final FTPS/IS thermal response dispersions. The end-to-end Monte Carlo simulation propagates the uncertainties of each model into the next to quantify the resulting uncertainty of the FTPS/IS thermal response. The fractional contributions of the uncertain parameters in the trajectory, aerothermal, and thermal response models to the variance in the FTPS/IS thermal response is determined as a byproduct of the Monte Carlo analysis. The structural uncertainty of the FTPS thermal response model is evaluated by flight relevant ground testing and model error analysis using test measurements. This probabilistic TPS margin process had never been applied to an entry vehicle and it is one of the LOFTID project’s goals to demonstrate its merits.

Steven A. Tobin↗
NASA NTRS1974

High gas velocity burner tests on silicon carbide and silicon nitride at 1200 C

Ten SiC materials and five Si3N4 materials were exposed in a Mach 1-gas-velocity burner simulating a gas-turbine engine environment. All materials studied are commercially available. Cyclic tests up to 100 hours' duration were conducted at specimen temperatures of 1200 C. A specimen geometry was used that develops thermal stresses during thermal cycling in a manner similar to blades and vanes of a gas turbine engine. Materials were compared on a basis of weight change, dimensional reductions, metallography, fluorescent-penetrant inspection, X-ray diffraction analyses, failure mode, and general appearance. One hot-pressed SiC, one reaction-sintered SiC, and three hot-pressed Si3N4 materials survived the program goal of 100 one-hour cycles of exposures. Of the materials that failed to meet the program goal, thermal fatigue was identified as the exclusive failure mode.

Sanders, W. A.↗
NASA NTRS1985

Initial Investigation of Cryogenic Wind Tunnel Model Filler Materials

Filler materials are used for surface flaws, instrumentation grooves, and fastener holes in wind tunnel models. More stringent surface quality requirements and the more demanding test environment encountered by cryogenic wind tunnels eliminate filler materials such as polyester resins, plaster, and waxes used on conventional wind tunnel models. To provide a material data base for cryogenic models, various filler materials are investigated. Surface quality requirements and test temperature extremes require matching of coefficients of thermal expansion or interfacing materials. Microstrain versus temperature curves are generated for several candidate filler materials for comparison with cryogenically acceptable materials. Matches have been achieved for aluminum alloys and austenitic steels. Simulated model surfaces are filled with candidate filler materials to determine finishing characteristics, adhesion and stability when subjected to cryogenic cycling. Filler material systems are identified which meet requirements for usage with aluminum model components.

Firth, G. C.↗
NASA NTRSDate not supplied

Coupled Aerosol-Chemistry Simulations of the January 2022 Eruptions of Hunga Tonga-Hunga Ha’apai in the NASA GEOS Earth System Model

The January 2022 eruptions of the underwater Hunga Tonga-Hunga Ha’apai volcano injected more than 100 Tg of water vapor and approximately 0.5 Tg of sulfur dioxide into the stratosphere. Injected materials reached as high as ~55 km in altitude, while the main plume from the eruption travelled west over Australia and the Indian Ocean between about 20 – 30 km altitude. We investigate the transport and the impact of the erupted materials in coupled aerosol-chemistry simulations performed with the NASA Goddard Earth Observing System (GEOS) Earth system model. A sulfur mechanism introduced into the Global Modeling Initiative (GMI) stratospheric-tropospheric chemistry package allows for an interactive simulation of the water vapor-chemistry impacts, and the large water vapor perturbation results in rapid conversion of sulfur dioxide to sulfate aerosol in our aerosol mechanism. We report on the results of a multi-year ensemble of simulations performed with this system that include a control ensemble (no eruption), a water vapor-only injection ensemble, and a water vapor and sulfur dioxide injection ensemble. Simulations of the near-field aerosol and chemistry transport are compared to available measurements from OMPS-LP, OMPS-NM, CALIOP, MLS, and other sensors. The extended impact of the volcanic materials on the stratospheric composition and chemistry over the next several years is further investigated in forecast simulations.

Peter Colarco↗
DOE OSTI2023

The dynamics, mixing, and thermonuclear burn of compressed foams with varied gas fills

Inertial confinement fusion (ICF) implosions involve highly coupled physics and complex hydrodynamics that are challenging to model computationally. Due to the sensitivity of such implosions to small features, detailed simulations require accurate accounting of the geometry and dimensionality of the initial conditions, including capsule defects and engineering features such as fill tubes used to insert gas into the capsule, yet this is computationally prohibitive. It is therefore difficult to evaluate whether discrepancies between the simulation and experiment arise from inadequate fidelity to the capsule geometry and drive conditions, uncertainties in physical data used by simulations, or inadequate physics. We present results from detailed high-resolution three-dimensional simulations of ICF implosions performed as part of the MARBLE campaign on the National Ignition Facility [Albright et al., Phys. Plasmas 29, 022702 (2022)]. These experiments are foam-filled separated-reactant experiments, where deuterons reside in the foam and tritons reside in the capsule gas fill and deuterium–tritium (DT) fusion reactions only occur in the presence of mixing between these materials. Material mixing in these experiments is primarily seeded by shock interaction with the complex geometry of the foam and gas fill, which induces the Richtmyer–Meshkov instability. We compare results for experiments with two different gas fills (ArT and HT), which lead to significant differences in the hydrodynamic and thermodynamic developments of the materials in the implosion. Our simulation results show generally good agreement with experiments and demonstrate a substantial impact of hydrodynamic flows on measured ion temperatures. The results suggest that viscosity, which was not included in our simulations, is the most important unmodeled physics and qualitatively explains the few discrepancies between the simulation and experiment. The results also suggest that the hydrodynamic treatment of shocks is inadequate to predict the heating and yield produced during shock flash, when the shock converges at the center of the implosion. Alternatively, underestimation of the level of radiative preheat from the shock front could explain many of the differences between the experiment and simulation. Nevertheless, simulations are able to reproduce many experimental observables within the level of experimental reproducibility, including most yields, time-resolved X-ray self-emission images, and an increase in burn-weighted ion temperature and neutron down-scattered ratio in the line of sight that includes a jet seeded by the glue spot that joins capsule hemispheres.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

Experimental performance of an ablative material as an external insulator for a hypersonic research aircraft

An ablative material composed of silica-filled elastomeric silicone was tested to evaluate its thermal and structural performance as an external insulator, or heat shield, for a hypersonic research aircraft. The material was also tested to determine whether it would form a durable char layer when initially heated and thereafter function primarily as an insulator with little further pyrolysis or char removal. Aerothermal tests were representative of nominal Mach 6 cruise conditions of the aircraft, and additional tests were representative of Mach 8 cruise and interference heating conditions. Radiant heating tests were used to simulate the complete nominal Mach 6 surface-temperature history. The silica char that formed during aerothermal tests was not durable. The char experienced a general and preferential surface recession, with the primary mechanism for char removal being erosion. Tests revealed that radiant heating is not a valid technique for simulating aerodynamic heating of the material.

Puster, R. L.↗
NASA NTRS2007

A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

Saether, E.↗
NASA NTRSDate not supplied

3D Material Response of the MSL Heatshield Using NuSil-Coated PICA

The Mars Science Laboratory (MSL) was protected during its atmospheric entry by an instrumented heatshield that used NASA's Phenolic Impregnated Carbon Ablator (PICA) material [1]. PICA is a lightweight carbon fiber/polymeric resin material that offers outstanding performance for protecting probes during planetary entry. Data from the Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of material response and atmospheric entry. MEDLI recorded, among other things, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP) [2]. A space-grade silicone-based coating commercially known as NuSil CV-1144-0 [3] was applied to the entire MSL heatshield, including the MEDLI plugs, to mitigate the spread of dust from PICA. Modeling the thermal response of PICA-NuSil (PICA-N) system is still an open challenge. Ground testing of PICA-N models exhibited surface temperature jumps of the order of 150 K due to oxide scale formation and sub-sequent NuSil burn-off. It is therefore critical to include a validated model for the material response of the coating in engineering codes. A test campaign has been conducted at the NASA’s Langley HyMETS [4] facility to screen the response of PICA-N and gather detailed data on its behavior [5]. A first model of PICA-N thermal response has been developed using the Hy-METS experiments [6]. The objective of this work is to analyze the material response of the latest PICA-N model compared to the engineering model used to simulate the entry of MSL. The environment and material response around the MSL aeroshell during Mars atmospheric entry is simulated using a collection of tools. The Direct Simulation Monte Carlo SPARTA code [7] is used in the rarefied regime, the Data Parallel Line Relaxation (DPLR) code [8] is used in the continuum regime and radiative heating conditions are provided by the Nonequilibrium air radiation (NEQAIR) code [9] to estimate the environmental conditions. The thermal response inside the material is computed using the Porous material Analysis Toolbox based on Open-FOAM (PATO) [10,11,12]. Thermodynamic and chemistry properties are estimated using the Mutation++ library [13]. The approach implemented in PATO as a first cut PICA-N thermal response model is outlined in Figure 1. While the recession is less than the coating thickness, the Surface mass and energy balance Boundary Condition (SBC) uses the NuSil B’ tables. Once the recession removes the coating, the usual PICA B’ tables are used for the SBC. The B’ tables are computed using an equilibrium solver implemented in Mutation++, given the temperature, pressure, blowing rate, composition of the pyrolysis and environment gases, and the condensed species at the surface. Preliminary results of the 3D material response of the MSL heat-shield at the peak heating (80 sec after Entry Interface) are shown in Figure 2. Current NASA’s mission to Mars, Mars 2020, used the spare heatshield of MSL for thermal protection during entry, descent, and landing. In preparation for Mars 2020 post-flight analysis, the PATO high-fidelity material response capability was benchmarked against flight data from MEDLI. This effort represents an important milestone toward the development of validated predictive capabilities for designing thermal protection systems for planetary probes. This bench-marking is awaiting the final release of the MEDLI-2 data.

Aerospace↗
DOE OSTI2023

Modeling support for the development of material surveillance specimens and procedures

This report describes modeling and simulation activities performed at Argonne National Laboratory supporting the development of passively actuated mechanical test articles for material surveillance in Molten Salt Reactors (MSRs). These test articles are a critical technology in formulating material surveillance programs for future MSRs to monitor the degradation in the structural properties of the materials in critical plant components. The main activity described in this report is the development of a method for inferring the amount of mechanical damage a test article has experienced during some duration of exposure to plant thermal and environmental conditions, using only mechanical test data collected from the test articles before and after exposure. The basic approach is to develop a model of the test article, including a description of mechanical degradation through continuum damage mechanics, and then use this model to cast the problem of inferring mechanical degradation in the test article materials into a shooting problem for a set of ordinary differential equations. We can then solve the shooting problem to determine the amount of damage accumulated in the sample. The report also details a few miscellaneous simulation studies completed at Argonne to support the development of the test articles themselves at Idaho National Laboratory.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

A passive model for the evolution of subgrid-scale instabilities in turbulent flow regimes

In this work, a zero-dimensional model for the development of turbulent mixing layers driven by Rayleigh–Taylor (RT) or Richtmyer–Meshkov (RM) instabilities is presented, for application in Reynolds-Averaged Navier–Stokes (RANS) simulations. The model approximates the behavior of the turbulent mixing layer at a passively advected tracer particle that sits on the material interface of interest in the simulation, and is used to provide initial conditions for the RANS model once the mixing layer width has developed to a size that may be resolved on the computational mesh. The model relies on approximations to the Besnard–Harlow–Rauenzahn (BHR) RANS closure equations and is thus consistent the turbulent development of the mixing layer, unlike previous models of this type which have focused on the early-time laminar development of RT or RM instabilities. These instabilities will often grow through an initially laminar state before developing into turbulence, and criteria for switching from an existing laminar model to the proposed turbulent model are considered. The proposed model reproduces the mixing layer development of RT and RM instabilities seen in mixed width resolving BHR RANS simulations to a reasonable degree of accuracy, and relaxes the need for the RANS simulation to resolve the mixed width as soon as the mixing layer becomes turbulent, which may be impractical in cases where the mixing layer grows through a wide range of scales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Development and construction status of the Mu2e electromagnetic calorimeter mechanical structures

Abstract The Mu2e experiment at Fermilab will search for the CLFV neutrino-less coherent conversion of a muon into an electron in the field of an aluminum nucleus. The observation of this process would be the evidence of physics beyond the Standard Model. Mu2e comprises a straw-tracker, an electromagnetic calorimeter and an external veto for cosmic rays. The calorimeter provides electron identification, a fast trigger and aids track reconstruction. It is a state-of-the-art crystal calorimeter and employs 1340 pure CsI crystals readout by UV-extended SiPM and fast electronics. The design consists of two identical annular disks positioned at the relative distance of 70 cm downstream the target.The hostile Mu2e conditions (total ionizing dose of 12 krad and a neutron fluence of 5 × 10 10 n/cm 2 @ 1 MeVeq (Si)/y, 1 T magnetic field and vacuum level of 10 −4 Torr) posed tight constraints on the mechanical structures and materials choice. The support structure of the two crystal matrices employs two aluminum hollow rings and parts made of open-cell vacuum-compatible carbon fiber. SiPMs and front-end electronics for each crystal are assembled in one mechanical unit inserted in a machined copper holder. The units are supported by a plate made of vacuum-compatible material. The plate integrates the cooling system made of a network of copper lines flowing a low temperature fluid and placed in thermal contact with the copper holders. The DAQ is hosted in aluminum crates positioned on the lateral surface of the disks. The crates also integrate the DAQ electronics cooling system. We review the constraints on the calorimeter structures design, the development of all the structural components, including the simulations that have determined the materials and technological choices and the specifications of the cooling station, components production and quality assurance tests, the procedures for detector assembly, transportation and installation in the experimental area.

Instruments & Instrumentation↗
DOE OSTI2024

Validation Exercise of a Coarse Finite Element Model of Laser Welds

The objective of this project is to validate low-fidelity models of 304L to 304L stainless steel partial-penetration laser welds for thin sheets. Low-fidelity means that the weld is represented by coarsely meshed element blocks. Here, the hexahedral element size is approx imately half the weld penetration depth. The material behavior of the block is represented by a J2 plasticity model with a Voce hardening function. The source of the data used in this work is an extensive experimental study conducted by Sharlotte Kramer (1528) and published in 2015. Figure 1 shows a cross-section of the weld of interest. The nominal thickness of the sheets is 0.063 in. while the target penetration depth of the weld is in the range of 0.028 to 0.032 in., extending about half the sheet thickness. Uniaxial tension tests provided data for calibration of base material and weld models. Results of two validation geometries were also provided. The principal validation geometry is shown in Fig. 2. It consists of a plate specimen with in-plane dimensions 6 in × 2.875 in loaded in tension. A circular plug with a 1.5 in. diameter was cut from the center of the plate and then welded in place. The details of the welding schedule are given. An important assumption is that the welds in the calibration and validation specimens have similar geometric and material properties as those in the validation tests. The task was to first calibrate models for the base material and the welds and then simulate the validation tests until the point of weld first failure.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Fatigue-test acceleration with flight-by-flight loading and heating to simulate supersonic-transport operation

Possibilities for reducing fatigue-test time for supersonic-transport materials and structures were studied in tests with simulated flight-by-flight loading. In order to determine whether short-time tests were feasible, the results of accelerated tests (2 sec per flight) were compared with the results of real-time tests (96 min per flight). The effects of design mean stress, the stress range for ground-air-ground cycles, simulated thermal stress, the number of stress cycles in each flight, and salt corrosion were studied. The flight-by-flight stress sequences were applied to notched sheet specimens of Ti-8Al-1Mo-1V and Ti-6Al-4V titanium alloys. A linear cumulative-damage analysis accounted for large changes in stress range of the simulated flights but did not account for the differences between real-time and accelerated tests. The fatigue lives from accelerated tests were generally within a factor of two of the lives from real-time tests; thus, within the scope of the investigation, accelerated testing seems feasible.

Imig, L. A.↗
NASA NTRS1988

Computational Methods For Composite Structures

Selected methods of computation for simulation of mechanical behavior of fiber/matrix composite materials described in report. For each method, report describes significance of behavior to be simulated, procedure for simulation, and representative results. Following applications discussed: effects of progressive degradation of interply layers on responses of composite structures, dynamic responses of notched and unnotched specimens, interlaminar fracture toughness, progressive fracture, thermal distortions of sandwich composite structure, and metal-matrix composite structures for use at high temperatures. Methods demonstrate effectiveness of computational simulation as applied to complex composite structures in general and aerospace-propulsion structural components in particular.

Chamis, Christos C.↗
NASA NTRS1990

Progressive failure analysis of fibrous composite materials and structures

A brief description is given of the modifications implemented in the PAFAC finite element program for the simulation of progressive failure in fibrous composite materials and structures. Details of the memory allocation, input data, and the new subroutines are given. Also, built-in failure criteria for homogeneous and fibrous composite materials are described.

Bahei-El-din, Yehia A.↗
NASA NTRS2024

Modeling Dynamic Crush Behavior of Carbon Fiber Reinforced Polymer Composite Structures Using MAT213

Modeling crushing of carbon fiber reinforced polymer (CFRP) composites is challenging, and current simulation methodologies involve tuning of non-physical parameters. MAT213, a next-generation material model, has advanced functionality to better simulate dynamic impact loading. The objective of the present investigation is to evaluate the potential for using MAT213 to simulate dynamic crushing of CFRPs. Two sets of simulations were performed: one for calibration based on a set of coupon-level experiments and another for prediction of the response of structural elements. Simulations involving dynamic crushing of flat specimens were iteratively run to calibrate model parameters. The calibration demonstrated that MAT213 could produce a simulated force-displacement response within experimental scatter. The simulated failure morphology was also comparable to the experiments. After successful calibration, predictive simulations of dynamic crushing of C-channel shaped specimens were completed using a simulated crash sled test rig and two pairs of impactor mass/velocity conditions. The simulated force-displacement curve in the crash sled simulations for the lower-velocity condition fell within the experimental scatter, but the stable crush force was underpredicted by 27% in the higher-velocity simulations. Better correlation in the lower-velocity test condition likely results from the calibration condition being a similar velocity to the lower-velocity crash sled condition.

Dynamic Crush↗