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DOE OSTI2019

Beam Current Effect on Microstructure and Properties of Electron-Beam-Melted Ti-6Al-4V Alloy

In this study, a noncommercial 3D printing machine was used to fabricate Ti-6Al-4V alloy by electron-beam melting (EBM). The influence of beam current on the microstructure, phase composition and mechanical properties of electron-beam-melted Ti-6Al-4V alloy was investigated. Numerical simulation is implemented to evaluate thermal fields during electron-beam melting of Ti-6Al-4V powder. The decrease in beam current from 3.5 to 2.5 mA leads to refinement of microstructure: The average width of α plates decreases from 10 down to 6 μm. The formation of finer microstructure is attributed to higher cooling rate at lower beam current confirmed by simulation. The phase composition of EBM Ti-6Al-4V indirectly depends on the beam current. High content of β phase (7%) was achieved at the beam current of 3 mA. The produced Ti-6Al-4V samples are characterized by high microhardness (470-520 HV).

36 MATERIALS SCIENCE↗

NASA NTRS2016

Simulation of Guided Wave Interaction with In-Plane Fiber Waviness

Reducing the timeline for certification of composite materials and enabling the expanded use of advanced composite materials for aerospace applications are two primary goals of NASA's Advanced Composites Project (ACP). A key a technical challenge area for accomplishing these goals is the development of rapid composite inspection methods with improved defect characterization capabilities. Ongoing work at NASA Langley is focused on expanding ultrasonic simulation capabilities for composite materials. Simulation tools can be used to guide the development of optimal inspection methods. Custom code based on elastodynamic finite integration technique is currently being developed and implemented to study ultrasonic wave interaction with manufacturing defects, such as in-plane fiber waviness (marcelling). This paper describes details of validation comparisons performed to enable simulation of guided wave propagation in composites containing fiber waviness. Simulation results for guided wave interaction with in-plane fiber waviness are also discussed. The results show that the wavefield is affected by the presence of waviness on both the surface containing fiber waviness, as well as the opposite surface to the location of waviness.

Leckey, Cara A. C.↗

NASA NTRS1991

Probabilistic load simulation: Code development status

The objective of the Composite Load Spectra (CLS) project is to develop generic load models to simulate the composite load spectra that are included in space propulsion system components. The probabilistic loads thus generated are part of the probabilistic design analysis (PDA) of a space propulsion system that also includes probabilistic structural analyses, reliability, and risk evaluations. Probabilistic load simulation for space propulsion systems demands sophisticated probabilistic methodology and requires large amounts of load information and engineering data. The CLS approach is to implement a knowledge based system coupled with a probabilistic load simulation module. The knowledge base manages and furnishes load information and expertise and sets up the simulation runs. The load simulation module performs the numerical computation to generate the probabilistic loads with load information supplied from the CLS knowledge base.

Newell, J. F.↗

DOE OSTI2020

Predictive Contaminant Transport Simulation with the P2R Model for the Composite Analysis Base Case

In order to meet the requirements of U.S. Department of Energy (DOE) in DOE O 435.1 Chg. 1, Radioactive Waste Management, a composite analysis (CA) must be completed for the Central Plateau at the Hanford Site. The updated Hanford Site CA requires estimates of fate and transport of radionuclides in the groundwater from multiple sources within and downgradient of the Central Plateau. Numerical simulations using the MT3D-MST computer code were conducted to evaluate the fate and transport of existing distributions of 16 radionuclides as identified in CP-62184, Hanford Site Composite Analysis: Radionuclide Selection for Groundwater Pathway Evaluation: tritium (H-3), carbon-14 (C-14), chloride- 36 (Cl-36), strontium-90 (Sr-90), technetium-99 (Tc-99), rhenium-187 (Re-187), radium-226 (Ra-226), thorium-230 (Th-230), uranium-232 (U-232), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), neptunium-237 (Np-237), and uranium-238 (U- 238). This document details the application of the P2R Model version 8.3 to predict the fate and transport of contaminants in groundwater on the Central Plateau for the 10,052 year simulation to support the CA. The simulation of fate and transport of contaminants reported in this environmental calculation file (ECF) will support dose predictions as part of the updated Hanford Site CA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Metal-ceramic materials. Study and prediction of effective mechanical properties

Mechanical behavior of stochastic metal-ceramic composite materials was numerically simulated on mesoscopic scale level. Deformation of mesoscopic volumes of composites, whose structure consists of a metal matrix and randomly distributed ceramic inclusions, was numerically simulated. The results of the numerical simulation were used for evaluation of the effective elastic and strength properties of metal-ceramic materials with different parameters of the structure. The values of the effective mechanical properties of investigated materials were obtained, and the character of the dependence of the effective elastic and strength properties on the structure parameters of composites was determined.

36 MATERIALS SCIENCE↗

NASA NTRS2011

Radiation Shielding of Lunar Regolith/Polyethylene Composites and Lunar Regolith/Water Mixtures

Space radiation is a complex mixed field of ionizing radiation that can pose hazardous risks to sophisticated electronics and humans. Mission planning for lunar exploration and long duration habitat construction will face tremendous challenges of shielding against various types of space radiation in an attempt to minimize the detrimental effects it may have on materials, electronics, and humans. In late 2009, the Lunar Crater Observation and Sensing Satellite (LCROSS) discovered that water content in lunar regolith found in certain areas on the moon can be up to 5.6 +/-2.8 weight percent (wt%) [A. Colaprete, et. al., Science, Vol. 330, 463 (2010). ]. In this work, shielding studies were performed utilizing ultra high molecular weight polyethylene (UHMWPE) and aluminum, both being standard space shielding materials, simulated lunar regolith/ polyethylene composites, and simulated lunar regolith mixed with UHMWPE particles and water. Based on the LCROSS findings, radiation shielding experiments were conducted to test for shielding efficiency of regolith/UHMWPE/water mixtures with various percentages of water to compare relative shielding characteristics of these materials. One set of radiation studies were performed using the proton synchrotron at the Loma Linda Medical University where high energy protons similar to those found on the surface of the moon can be generated. A similar experimental protocol was also used at a high energy spalation neutron source at Los Alamos Neutron Science Center (LANSCE). These experiments studied the shielding efficiency against secondary neutrons, another major component of space radiation field. In both the proton and neutron studies, shielding efficiency was determined by utilizing a tissue equivalent proportional counter (TEPC) behind various thicknesses of shielding composite panels or mixture materials. Preliminary results from these studies indicated that adding 2 wt% water to regolith particles could increase shielding of the regolith materials by about 6%. The findings may be utilized to extend the possibilities of potential candidate materials for lunar habitat structures, will potentially impact the design criteria of future human bases on the moon, and provide some guidelines for future space mission planning with respect to radiation exposure and risks posed on astronauts.

Johnson, Quincy F.↗

NASA NTRS2004

Modeling the VARTM Composite Manufacturing Process

A comprehensive simulation model of the Vacuum Assisted Resin Transfer Modeling (VARTM) composite manufacturing process has been developed. For isothermal resin infiltration, the model incorporates submodels which describe cure of the resin and changes in resin viscosity due to cure, resin flow through the reinforcement preform and distribution medium and compaction of the preform during the infiltration. The accuracy of the model was validated by measuring the flow patterns during resin infiltration of flat preforms. The modeling software was used to evaluate the effects of the distribution medium on resin infiltration of a flat preform. Different distribution medium configurations were examined using the model and the results were compared with data collected during resin infiltration of a carbon fabric preform. The results of the simulations show that the approach used to model the distribution medium can significantly effect the predicted resin infiltration times. Resin infiltration into the preform can be accurately predicted only when the distribution medium is modeled correctly.

Song, Xiao-Lan↗

DOE OSTI2022

Black Hole to Photosphere: 3D GRMHD Simulations of Collapsars Reveal Wobbling and Hybrid Composition Jets

Long-duration γ-ray bursts (GRBs) accompany the collapse of massive stars and carry information about the central engine. However, no 3D models have been able to follow these jets from their birth via black hole (BH) to the photosphere. We present the first such 3D general-relativity magnetohydrodynamic simulations, which span over six orders of magnitude in space and time. The collapsing stellar envelope forms an accretion disk, which drags inwardly the magnetic flux that accumulates around the BH, becomes dynamically important, and launches bipolar jets. The jets reach the photosphere at ~10 12 cm with an opening angle θ j ~ 6° and a Lorentz factor Γ j ≲ 30, unbinding ≳90% of the star. We find that (i) the disk–jet system spontaneously develops misalignment relative to the BH rotational axis. As a result, the jet wobbles with an angle θ t ~ 12°, which can naturally explain quiescent times in GRB lightcurves. The effective opening angle for detection θ j + θ t suggests that the intrinsic GRB rate is lower by an order of magnitude than standard estimates. This suggests that successful GRBs are rarer than currently thought and emerge in only ~0.1% of supernovae Ib/c, implying that jets are either not launched or choked inside most supernova Ib/c progenitors. (ii) The magnetic energy in the jet decreases due to mixing with the star, resulting in jets with a hybrid composition of magnetic and thermal components at the photosphere, where ~10% of the gas maintains magnetization σ ≳ 0.1. This indicates that both a photospheric component and reconnection may play a role in the prompt emission.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

A New Computational Method for Membrane Compressibility: Bilayer Mechanical Thickness Revisited

Because lipid bilayers can bend and stretch in ways similar to thin elastic sheets, physical models of bilayer deformation have utilized mechanical constants such as the moduli for bending rigidity (κ C ) and area compressibility (K A ). However, the use of these models to quantify the energetics of membrane deformation associated with protein-membrane interactions, and the membrane response to stress is often hampered by the shortage of experimental data suitable for the estimation of the mechanical constants of various lipid mixtures. Although computational tools such as molecular dynamics simulations can provide alternative means to estimate K A values, current approaches suffer significant technical limitations. Here, in this study, we present a novel, to our knowledge, computational framework that allows for a direct estimation of K A values for individual bilayer leaflets. The theory is based on the concept of elasticity and derives K A from real-space analysis of local thickness fluctuations sampled in molecular dynamics simulations. We explore and validate the model on a large set of single and multicomponent bilayers of different lipid compositions and sizes, simulated at different temperatures. The calculated bilayer compressibility moduli agree with values estimated previously from experiments and those obtained from a standard computational method based on a series of constrained tension simulations. We further validate our framework in a comparison with an existing polymer brush model and confirm the polymer brush model’s predicted linear relationship with proportionality coefficient of 24, using elastic parameters calculated from the simulation trajectories. The robustness of the results that emerge from the method allows us to revisit the origins of the bilayer mechanical (compressible) thickness and in particular its dependence on acyl-chain unsaturation and the presence of cholesterol.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRSDate not supplied

Modeling and Characterization of Crushable Composite Structures

The crushing response and the energy absorption capacity of a quasi-isotropic C-shaped composite panel is presented to simulate the progressive damage and failure mechanisms involved in the component testing. Crushable composite structures are widely used for impact applications, as because of their great high-energy absorption capability and lower weight. Simulating the crush characteristics of composite structures is challenging, as the conventional tools fail to accurately represent the failure mechanisms at the component level. Here, a cost-effective predictive tool ‘CZone’ is applied for simulating the crushing response of composite materials. CZone for Abaqus (CZA) is an add-on capability for Abaqus/Explicit and combines with the commercially available impact modeling capabilities included within the Abaqus finite element software package.

crush zone↗

NASA NTRS1985

Simulations and observations of plasma depletion, ion composition, and airglow emissions in two auroral ionospheric depletion experiments

Observations of plasma depletion, ion composition modification, and airglow emissions in the Waterhole experiments are presented. The detailed ion chemistry and airglow emission processes related to the ionospheric hole formation in the experiment are examined, and observations are compared with computer simulation results. The latter indicate that the overall depletion rates in different parts of the depletion region are governed by different parameters.

Yau, A. W.↗

NASA NTRS2012

Spatial Variability in Column CO2 Inferred from High Resolution GEOS-5 Global Model Simulations: Implications for Remote Sensing and Inversions

Column CO2 observations from current and future remote sensing missions represent a major advancement in our understanding of the carbon cycle and are expected to help constrain source and sink distributions. However, data assimilation and inversion methods are challenged by the difference in scale of models and observations. OCO-2 footprints represent an area of several square kilometers while NASA s future ASCENDS lidar mission is likely to have an even smaller footprint. In contrast, the resolution of models used in global inversions are typically hundreds of kilometers wide and often cover areas that include combinations of land, ocean and coastal areas and areas of significant topographic, land cover, and population density variations. To improve understanding of scales of atmospheric CO2 variability and representativeness of satellite observations, we will present results from a global, 10-km simulation of meteorology and atmospheric CO2 distributions performed using NASA s GEOS-5 general circulation model. This resolution, typical of mesoscale atmospheric models, represents an order of magnitude increase in resolution over typical global simulations of atmospheric composition allowing new insight into small scale CO2 variations across a wide range of surface flux and meteorological conditions. The simulation includes high resolution flux datasets provided by NASA s Carbon Monitoring System Flux Pilot Project at half degree resolution that have been down-scaled to 10-km using remote sensing datasets. Probability distribution functions are calculated over larger areas more typical of global models (100-400 km) to characterize subgrid-scale variability in these models. Particular emphasis is placed on coastal regions and regions containing megacities and fires to evaluate the ability of coarse resolution models to represent these small scale features. Additionally, model output are sampled using averaging kernels characteristic of OCO-2 and ASCENDS measurement concepts to create realistic pseudo-datasets. Pseudo-data are averaged over coarse model grid cell areas to better understand the ability of measurements to characterize CO2 distributions and spatial gradients on both short (daily to weekly) and long (monthly to seasonal) time scales

Ott, L.↗

DOE OSTI2025

Assessing modifications to the Abdul-Razzak and Ghan aerosol activation parameterization (version ARG2000) to improve simulated aerosol–cloud radiative effects in the UK Met Office Unified Model (UM version 13.0)

The representation of aerosol activation is a key source of uncertainty in global composition-climate model simulations of aerosol–cloud interactions. The Abdul-Razzak and Ghan (ARG) activation parameterization is used in several global and regional models that employ modal aerosol microphysics schemes. In this study, we investigate the ability of the ARG parameterization to reproduce simulations with a cloud parcel model and find its performance is sensitive to the geometric standard deviations (widths) of the lognormal aerosol modes. We recommend adjustments to three constant parameters in the ARG equations, which improve the performance of the parameterization for small mode widths and its ability to simulate activation in polluted conditions. For the accumulation mode width of 1.4 used in the Met Office Unified Model (UM), the modifications decrease the mean bias in the activated fraction of aerosols compared to a cloud parcel model from −6.6 % to +1.2 %. We implemented the improvements in the UM and compared simulated global cloud droplet concentrations with satellite observations. The simulated cloud radiative effect changes by −1.43 W m −2 (6 %) and aerosol indirect radiative forcing over the industrial period changes by −0.10 W m −2 (10 %).

Ghosh, Pratapaditya [Carnegie Mellon University, P↗

DOE OSTI2017

American Society of Composites, 32nd Technical Conference

Resin transfer molding (RTM) has become increasingly popular for the manufacturing of composite parts. To enable high volume manufacturing and obtain good quality parts at an acceptable cost to automotive industry, accurate process simulation tools are necessary to optimize the process conditions. Towards that goal, General Motors and the ESI-group are involved in developing a state of the art process simulation tool for composite manufacturing in a project supported by the Department of Energy. This paper describes the modeling of various stages in resin transfer molding such as resin injection, resin curing, and part distortion. An instrumented RTM system located at the General Motors Research and Development center was used to perform flat plaque molding experiments. The experimental measurements of fill time, in-mold pressure versus time, cure variation with time, and part deformation were compared with the model predictions and very good correlations were observed.

42 ENGINEERING↗

NASA NTRS2017

Incorporation of Failure Into an Orthotropic Three-Dimensional Model with Tabulated Input Suitable for Use in Composite Impact Problems

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites under impact conditions is becoming critical as these materials are gaining increased use in the aerospace and automotive communities. The aerospace community has identified several key capabilities which are currently lacking in the available material models in commercial transient dynamic finite element codes. To attempt to improve the predictive capability of composite impact simulations, a next generation material model is being developed for incorporation within the commercial transient dynamic finite element code LS-DYNA. The material model, which incorporates plasticity, damage and failure, utilizes experimentally based tabulated input to define the evolution of plasticity and damage and the initiation of failure as opposed to specifying discrete input parameters such as modulus and strength. The plasticity portion of the orthotropic, three-dimensional, macroscopic composite constitutive model is based on an extension of the Tsai-Wu composite failure model into a generalized yield function with a non-associative flow rule. For the damage model, a strain equivalent formulation is used to allow for the uncoupling of the deformation and damage analyses. In the damage model, a semi-coupled approach is employed where the overall damage in a particular coordinate direction is assumed to be a multiplicative combination of the damage in that direction resulting from the applied loads in various coordinate directions. For the failure model, a tabulated approach is utilized in which a stress or strain based invariant is defined as a function of the location of the current stress state in stress space to define the initiation of failure. Failure surfaces can be defined with any arbitrary shape, unlike traditional failure models where the mathematical functions used to define the failure surface impose a specific shape on the failure surface. In the current paper, the complete development of the failure model is described and the generation of a tabulated failure surface for a representative composite material is discussed.

Impact↗

NASA NTRS1994

Modeling of stress/strain behavior of fiber-reinforced ceramic matrix composites including stress redistribution

A computational simulation procedure is presented for nonlinear analyses which incorporates microstress redistribution due to progressive fracture in ceramic matrix composites. This procedure facilitates an accurate simulation of the stress-strain behavior of ceramic matrix composites up to failure. The nonlinearity in the material behavior is accounted for at the constituent (fiber/matrix/interphase) level. This computational procedure is a part of recent upgrades to CEMCAN (Ceramic Matrix Composite Analyzer) computer code. The fiber substructuring technique in CEMCAN is used to monitor the damage initiation and progression as the load increases. The room-temperature tensile stress-strain curves for SiC fiber reinforced reaction-bonded silicon nitride (RBSN) matrix unidirectional and angle-ply laminates are simulated and compared with experimentally observed stress-strain behavior. Comparison between the predicted stress/strain behavior and experimental stress/strain curves is good. Collectively the results demonstrate that CEMCAN computer code provides the user with an effective computational tool to simulate the behavior of ceramic matrix composites.

Mital, Subodh K.↗

DOE OSTI2015

Predicting the mineral composition of dust aerosols – Part 2: Model evaluation and identification of key processes with observations

A global compilation of nearly sixty measurement studies is used to evaluate two methods of simulating the mineral composition of dust aerosols in an Earth system model. Both methods are based upon a Mean Mineralogical Table (MMT) that relates the soil mineral fractions to a global atlas of arid soil type. The Soil Mineral Fraction (SMF) method assumes that the aerosol mineral fractions match the fractions of the soil. The MMT is based upon soil measurements after wet sieving, a process that destroys aggregates of soil particles that would have been emitted from the original, undisturbed soil. The second method approximately reconstructs the emitted aggregates. This model is referred to as the Aerosol Mineral Fraction (AMF) method because the mineral fractions of the aerosols differ from those of the wet-sieved parent soil, partly due to reaggregation. The AMF method remedies some of the deficiencies of the SMF method in comparison to observations. Only the AMF method exhibits phyllosilicate mass at silt sizes, where they are abundant according to observations. In addition, the AMF quartz fraction of silt particles is in better agreement with measured values, in contrast to the overestimated SMF fraction. Measurements at distinct clay and silt particle sizes are shown to be more useful for evaluation of the models, in contrast to the sum over all particles sizes that is susceptible to compensating errors, as illustrated by the SMF experiment. Model errors suggest that allocation of the emitted silt fraction of each mineral into the corresponding transported size categories is an important remaining source of uncertainty. Evaluation of both models and the MMT is hindered by the limited number of size-resolved measurements of mineral content that sparsely sample aerosols from the major dust sources. In conclusion, the importance of climate processes dependent upon aerosol mineral composition shows the need for global and routine mineral measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

Structural materials from lunar simulants through thermal liquefaction

Thermal liquefaction that allows development of intermediate ceramic composites from a lunar simulant with various admixtures is used to develop structural materials for construction on the moon. Bending and compressive properties of resulting composites are obtained from laboratory tests and evaluated with respect to the use of three different types and fibers.

Desai, Chandra S.↗