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Wave Propagation in Jointed Geologic Media

Description: Predictive modeling capabilities for wave propagation in a jointed geologic media remain a modern day scientific frontier. In part this is due to a lack of comprehensive understanding of the complex physical processes associated with the transient response of geologic material, and in part it is due to numerical challenges that prohibit accurate representation of the heterogeneities that influence the material response. Constitutive models whose properties are determined from laboratory experiments on intact samples have been shown to over-predict the free field environment in large scale field experiments. Current methodologies for deriving in situ properties from laboratory measured properties are based on empirical equations derived for static geomechanical applications involving loads of lower intensity and much longer durations than those encountered in applications of interest involving wave propagation. These methodologies are not validated for dynamic applications, and they do not account for anisotropic behavior stemming from direcitonal effects associated with the orientation of joint sets in realistic geologies. Recent advances in modeling capabilities coupled with modern high performance computing platforms enable physics-based simulations of jointed geologic media with unprecedented details, offering a prospect for significant advances in the state of the art. This report provides a brief overview of these modern computational approaches, discusses their advantages and limitations, and attempts to formulate an integrated framework leading to the development of predictive modeling capabilities for wave propagation in jointed and fractured geologic materials.
Date: December 17, 2009
Creator: Antoun, T
Partner: UNT Libraries Government Documents Department

Temperature effects on the mechanical properties of annealed and HERF 304L stainless steel.

Description: The effect of temperature on the tensile properties of annealed 304L stainless steel and HERF 304L stainless steel forgings was determined by completing experiments over the moderate range of -40 F to 160 F. Temperature effects were more significant in the annealed material than the HERF material. The tensile yield strength of the annealed material at -40 F averaged twenty two percent above the room temperature value and at 160 F averaged thirteen percent below. The tensile yield strength for the three different geometry HERF forgings at -40 F and 160 F changed less than ten percent from room temperature. The ultimate tensile strength was more temperature dependent than the yield strength. The annealed material averaged thirty six percent above and fourteen percent below the room temperature ultimate strength at -40 F and 160 F, respectively. The HERF forgings exhibited similar, slightly lower changes in ultimate strength with temperature. For completeness and illustrative purposes, the stress-strain curves are included for each of the tensile experiments conducted. The results of this study prompted a continuation study to determine tensile property changes of welded 304L stainless steel material with temperature, documented separately.
Date: November 1, 2004
Creator: Antoun, Bonnie R.
Partner: UNT Libraries Government Documents Department

Dynamic Behavior of Sand: Annual Report FY 11

Description: Currently, design of earth-penetrating munitions relies heavily on empirical relationships to estimate behavior, making it difficult to design novel munitions or address novel target situations without expensive and time-consuming full-scale testing with relevant system and target characteristics. Enhancing design through numerical studies and modeling could help reduce the extent and duration of full-scale testing if the models have enough fidelity to capture all of the relevant parameters. This can be separated into three distinct problems: that of the penetrator structural and component response, that of the target response, and that of the coupling between the two. This project focuses on enhancing understanding of the target response, specifically granular geomaterials, where the temporal and spatial multi-scale nature of the material controls its response. As part of the overarching goal of developing computational capabilities to predict the performance of conventional earth-penetrating weapons, this project focuses specifically on developing new models and numerical capabilities for modeling sand response in ALE3D. There is general recognition that granular materials behave in a manner that defies conventional continuum approaches which rely on response locality and which degrade in the presence of strong response nonlinearities, localization, and phase gradients. There are many numerical tools available to address parts of the problem. However, to enhance modeling capability, this project is pursuing a bottom-up approach of building constitutive models from higher fidelity, smaller spatial scale simulations (rather than from macro-scale observations of physical behavior as is traditionally employed) that are being augmented to address the unique challenges of mesoscale modeling of dynamically loaded granular materials. Through understanding response and sensitivity at the grain-scale, it is expected that better reduced order representations of response can be formulated at the continuum scale as illustrated in Figure 1 and Figure 2. The final result of this project is to implement such reduced ...
Date: March 15, 2012
Creator: Antoun, T; Herbold, E & Johnson, S
Partner: UNT Libraries Government Documents Department

Final LDRD report : metal oxide films, nanostructures, and heterostructures for solar hydrogen production.

Description: The distinction between electricity and fuel use in analyses of global power consumption statistics highlights the critical importance of establishing efficient synthesis techniques for solar fuels-those chemicals whose bond energies are obtained through conversion processes driven by solar energy. Photoelectrochemical (PEC) processes show potential for the production of solar fuels because of their demonstrated versatility in facilitating optoelectronic and chemical conversion processes. Tandem PEC-photovoltaic modular configurations for the generation of hydrogen from water and sunlight (solar water splitting) provide an opportunity to develop a low-cost and efficient energy conversion scheme. The critical component in devices of this type is the PEC photoelectrode, which must be optically absorptive, chemically stable, and possess the required electronic band alignment with the electrochemical scale for its charge carriers to have sufficient potential to drive the hydrogen and oxygen evolution reactions. After many decades of investigation, the primary technological obstacle remains the development of photoelectrode structures capable of efficient conversion of light with visible frequencies, which is abundant in the solar spectrum. Metal oxides represent one of the few material classes that can be made photoactive and remain stable to perform the required functions.
Date: January 1, 2012
Creator: Kronawitter, Coleman X.; Antoun, Bonnie R. & Mao, Samuel S.
Partner: UNT Libraries Government Documents Department

Simulation of Comet Impact and Survivability of Organic Compounds

Description: Comets have long been proposed as a potential means for the transport of complex organic compounds to early Earth. For this to be a viable mechanism, a significant fraction of organic compounds must survive the high temperatures due to impact. We have undertaken three-dimensional numerical simulations to track the thermodynamic state of a comet during oblique impacts. The comet was modeled as a 1-km water-ice sphere impacting a basalt plane at 11.2 km/s; impact angles of 15{sup o} (from horizontal), 30{sup o}, 45{sup o}, 65{sup o}, and 90{sup o} (normal impact) were examined. The survival of organic cometary material, modeled as water ice for simplicity, was calculated using three criteria: (1) peak temperatures, (2) the thermodynamic phase of H{sub 2}O, and (3) final temperature upon isentropic unloading. For impact angles greater than or equal to 30{sup o}, no organic material is expected to survive the impact. For the 15{sup o} impact, most of the material survives the initial impact and significant fractions (55%, 25%, and 44%, respectively) satisfy each survival criterion at 1 second. Heating due to deceleration, in addition to shock heating, plays a role in the heating of the cometary material for nonnormal impacts. This effect is more noticeable for more oblique impacts, resulting in significant deviations from estimates using scaling of normal impacts. The deceleration heating of the material at late times requires further modeling of breakup and mixing.
Date: July 18, 2007
Creator: Liu, B T; Lomov, I N; Blank, J G & Antoun, T H
Partner: UNT Libraries Government Documents Department

NEAR FIELD MODELING OF SPE1 EXPERIMENT AND PREDICTION OF THE SECOND SOURCE PHYSICS EXPERIMENTS (SPE2)

Description: Motion along joints and fractures in the rock has been proposed as one of the sources of near-source shear wave generation, and demonstrating the validity of this hypothesis is a focal scientific objective of the source physics experimental campaign in the Climax Stock granitic outcrop. A modeling effort has been undertaken by LLNL to complement the experimental campaign, and over the long term provide a validated computation capability for the nuclear explosion monitoring community. The approach involves performing the near-field nonlinear modeling with hydrodynamic codes (e.g., GEODYN, GEODYN-L), and the far-field seismic propagation with an elastic wave propagation code (e.g., WPP). the codes will be coupled together to provide a comprehensive source-to-sensor modeling capability. The technical approach involves pre-test predictions of each of the SPE experiments using their state of the art modeling capabilities, followed by code improvements to alleviate deficiencies identified in the pre-test predictions. This spiral development cycle wherein simulations are used to guide experimental design and the data from the experiment used to improve the models is the most effective approach to enable a transition from the descriptive phenomenological models in current use to the predictive, hybrid physics models needed for a science-based modeling capability for nuclear explosion monitoring. The objective of this report is to describe initial results of non-linear motion predictions of the first two SPE shots in the Climax Stock: a 220-lb shot at a depth of 180 ft (SPE No.1), and a 2570-lb shot at a depth of 150 ft (SPE No.2). The simulations were performed using the LLNL ensemble granite model, a model developed to match velocity and displacement attenuation from HARDHAT, PILE DRIVER, and SHOAL, as well as Russian and French nuclear test data in granitic rocks. This model represents the state of the art modeling capabilities as they existed when ...
Date: October 20, 2011
Creator: Antoun, T; Xu, H; Vorobiev, O & Lomov, I
Partner: UNT Libraries Government Documents Department

Simulation of penetration into porous geologic media

Description: We present a computational study on the penetration of steel projectiles into porous geologic materials. The purpose of the study is to extend the range of applicability of a recently developed constitutive model to simulations involving projectile penetration into geologic media. The constitutive model is non-linear, thermodynamically consistent, and properly invariant under superposed rigid body motions. The equations are valid for large deformations and they are hyperelastic in the sense that the stress tensor is related to a derivative of the Helmholtz free energy. The model uses the mathematical structure of plasticity theory to capture the basic features of the mechanical response of geological materials including the effects of bulking, yielding, damage, porous compaction and loading rate on the material response. The new constitutive model has been successfully used to simulate static laboratory tests under a wide range of triaxial loading conditions, and dynamic spherical wave propagation tests in both dry and saturated geologic media.
Date: May 31, 2005
Creator: Vorobiev, O Y; Liu, B T; Lomov, I N & Antoun, T
Partner: UNT Libraries Government Documents Department

Simulation of Hypervelocity Penetration in Limestone

Description: A parameter study was performed to examine the (shock) damage obtained with long-rod and spherical mono-material penetrators impacting two varieties of limestone. In all cases, the impacts were assumed to be normal to the plane of the rock and at zero angle of attack (in the case of the rods). Impact velocities ranged to 15 km/s but most calculations were performed at 4 and 6 km/s and the penetrator mass was fixed at 1000 kg. For unlined underground structures, incipient damage was defined to occur when the peak stress, {sigma}{sub pk}, exceeds 1 kb (100 MPa) and the applied impulse per unit area, I{sub pk}, exceeds 1 ktap (1 kb-{micro}s). Severe damage was assumed to occur when {sigma}{sub pk} exceeds 1 kb and I{sub pk} exceeds 1000 ktaps. Using the latter definition it was found that severe damage in hard, non-porous limestone with spherical impactors extended to a depth of 9 m on-axis for an impact velocity of 4 km/s and 12 m at 6 km/s. Cylinders with length-to-diameter (L/D) ratio of 8.75 achieved depth to severe damage of 23 m and 40 m, respectively under the same conditions. For a limestone medium with 2% initial gas porosity, the latter numbers were reduced to 12 m and 18 m.
Date: May 31, 2005
Creator: Antoun, T; Glenn, L; Walton, O; Goldstein, P; Lomov, I & Liu, B
Partner: UNT Libraries Government Documents Department

Numerical Simulation of Interaction of Hypervelocity Particle Stream with a Target

Description: We present results of direct numerical simulations of impact of hypervelocity particle stream with a target. The stream of interest consists of submillimeter (30-300 micron) brittle ceramic particles. Current supercomputer capabilities make it possible to simulate a realistic size of streams (up to 20 mm in diameter and 500 mm in length) while resolving each particle individually. Such simulations make possible to study the damage of the target from synergistic effects of individual impacts. In our research we fixed the velocity distribution along the axis of the stream (1-4 km/s) and volume fraction of the solid material (1-10%) and study effects of particle size variation, particle and target material properties and surrounding air properties. We ran 3D calibration simulations with up to 10 million individual particles and conducted sensitivity studies with 2D cylindrically symmetric simulations. We used an Eulerian Godunov hydrocode with adaptive mesh refinement. The particles, target material and air are represented with volume-of-fluid approach. Brittle particle and target material has been simulated with pressure-dependent yield strength and Steinberg model has been used for metal targets. Simulations demonstrated penetration depth and a hole diameter similar to experimental observations and can explain the influence of parameters of the stream on the character of the penetration.
Date: July 31, 2007
Creator: Lomov, I; Liu, B; Georgevich, V & Antoun, T
Partner: UNT Libraries Government Documents Department

Materials characterization through quantitative digital image analysis

Description: A digital image analysis system has been developed to allow advanced quantitative measurement of microstructural features. This capability is maintained as part of the microscopy facility at Sandia, Livermore. The system records images digitally, eliminating the use of film. Images obtained from other sources may also be imported into the system. Subsequent digital image processing enhances image appearance through the contrast and brightness adjustments. The system measures a variety of user-defined microstructural features--including area fraction, particle size and spatial distributions, grain sizes and orientations of elongated particles. These measurements are made in a semi-automatic mode through the use of macro programs and a computer controlled translation stage. A routine has been developed to create large montages of 50+ separate images. Individual image frames are matched to the nearest pixel to create seamless montages. Results from three different studies are presented to illustrate the capabilities of the system.
Date: July 1, 2000
Creator: Philliber, J.; Antoun, B.; Somerday, B. & Yang, N.
Partner: UNT Libraries Government Documents Department

Modeling of ablation by photospallation using the computer program PUFF/DFRACT

Description: In general, macroscopic material failure is a manifestation of irreversible changes at the microscopic level. Many tissues, which may appear to be macroscopically homogeneous, are, at a fundamental microscopic level, a composite material. For example, cornea is composed of a hyaluronic acid matrix in which layers of collagen fibers are overlaid in a crossing pattern. The points where the collagen fibers intersect are potential nucleation sites for microscopic defects, which under the action of tensile stress, nucleate, grow and coalesce to form macroscopic failure planes, or spall planes. Using a model based on microstructural evolution, this paper examines the failure process during photoablation. Specifically, the paper describes a physically motivated, micromechanical model based on the nucleation and growth of spherical voids. This model is then used to simulate photoablation of cornea. Potential for using this model to predict the stress wave and material damage measured by experiment is discussed.
Date: March 1, 1995
Creator: Antoun, T.; Seaman, L. & Glinsky, M.E.
Partner: UNT Libraries Government Documents Department

A strength and damage model for rock under dynamic loading

Description: A thermodynamically consistent strength and failure model for granite under dynamic loading has been developed and evaluated. The model agrees with static strength measurements and describes the effects of pressure hardening, bulking, porous compaction, porous dilation, tensile failure, and failure under compression due to distortional deformations. This paper briefly describes the model and the sensitivity of the simulated response to variations in the model parameters and in the inelastic deformation processes used in different simulations. 1D simulations of an underground explosion in granite are used in the sensitivity study.
Date: June 14, 1999
Creator: Antoun, T H; Glenn, L A; Lomov, I N & Vorobiev, O
Partner: UNT Libraries Government Documents Department

Simulations of an underground explosion in granite

Description: This paper describes the results of a computational study performed to investigate the behavior of granite under shock wave loading conditions. A thermomechanically consistent constitutive model that includes the effects of bulking, yielding, material damage, and porous compaction on the material response was used in the simulations. The model parameters were determined based on experimental data, and the model was then used in a series of one-dimensional simulations of PILE DRIVER, a deeply-buried explosion in a granite formation at the Nevada Test Site. Particle velocity histories, peak velocity and peak displacement as a function of slant range, and the cavity radius obtained from the code simulations compared favorably with PILE DRIVER data.
Date: June 14, 1999
Creator: Antoun, T; Glenn, L A; Lomov, I N & Vorobiev, O Y
Partner: UNT Libraries Government Documents Department

A mechanism-based approach to modeling ductile fracture.

Description: Ductile fracture in metals has been observed to result from the nucleation, growth, and coalescence of voids. The evolution of this damage is inherently history dependent, affected by how time-varying stresses drive the formation of defect structures in the material. At some critically damaged state, the softening response of the material leads to strain localization across a surface that, under continued loading, becomes the faces of a crack in the material. Modeling localization of strain requires introduction of a length scale to make the energy dissipated in the localized zone well-defined. In this work, a cohesive zone approach is used to describe the post-bifurcation evolution of material within the localized zone. The relations are developed within a thermodynamically consistent framework that incorporates temperature and rate-dependent evolution relationships motivated by dislocation mechanics. As such, we do not prescribe the evolution of tractions with opening displacements across the localized zone a priori. The evolution of tractions is itself an outcome of the solution of particular, initial boundary value problems. The stress and internal state of the material at the point of bifurcation provides the initial conditions for the subsequent evolution of the cohesive zone. The models we develop are motivated by in-situ scanning electron microscopy of three-point bending experiments using 6061-T6 aluminum and 304L stainless steel, The in situ observations of the initiation and evolution of fracture zones reveal the scale over which the failure mechanisms act. In addition, these observations are essential for motivating the micromechanically-based models of the decohesion process that incorporate the effects of loading mode mixity, temperature, and loading rate. The response of these new cohesive zone relations is demonstrated by modeling the three-point bending configuration used for the experiments. In addition, we survey other methods with the potential to provide more detailed information about the near tip ...
Date: January 1, 2004
Creator: Bammann, Douglas J.; Hammi, Youssef; Antoun, Bonnie R.; Klein, Patrick A.; Foulk, James W., III & McFadden, Sam X.
Partner: UNT Libraries Government Documents Department

ASC-AD penetration modeling FY05 status report.

Description: Sandia currently lacks a high fidelity method for predicting loads on and subsequent structural response of earth penetrating weapons. This project seeks to test, debug, improve and validate methodologies for modeling earth penetration. Results of this project will allow us to optimize and certify designs for the B61-11, Robust Nuclear Earth Penetrator (RNEP), PEN-X and future nuclear and conventional penetrator systems. Since this is an ASC Advanced Deployment project the primary goal of the work is to test, debug, verify and validate new Sierra (and Nevada) tools. Also, since this project is part of the V&V program within ASC, uncertainty quantification (UQ), optimization using DAKOTA [1] and sensitivity analysis are an integral part of the work. This project evaluates, verifies and validates new constitutive models, penetration methodologies and Sierra/Nevada codes. In FY05 the project focused mostly on PRESTO [2] using the Spherical Cavity Expansion (SCE) [3,4] and PRESTO Lagrangian analysis with a preformed hole (Pen-X) methodologies. Modeling penetration tests using PRESTO with a pilot hole was also attempted to evaluate constitutive models. Future years work would include the Alegra/SHISM [5] and AlegrdEP (Earth Penetration) methodologies when they are ready for validation testing. Constitutive models such as Soil-and-Foam, the Sandia Geomodel [6], and the K&C Concrete model [7] were also tested and evaluated. This report is submitted to satisfy annual documentation requirements for the ASC Advanced Deployment program. This report summarizes FY05 work performed in the Penetration Mechanical Response (ASC-APPS) and Penetration Mechanics (ASC-V&V) projects. A single report is written to document the two projects because of the significant amount of technical overlap.
Date: April 1, 2006
Creator: Kistler, Bruce L.; Ostien, Jakob T.; Chiesa, Michael L.; Bhutani, Nipun; Ohashi, Yuki; Marin, Esteban B. et al.
Partner: UNT Libraries Government Documents Department

The Prospect of using Three-Dimensional Earth Models To Improve Nuclear Explosion Monitoring and Ground Motion Hazard Assessment

Description: The last ten years have brought rapid growth in the development and use of three-dimensional (3D) seismic models of earth structure at crustal, regional and global scales. In order to explore the potential for 3D seismic models to contribute to important societal applications, Lawrence Livermore National Laboratory (LLNL) hosted a 'Workshop on Multi-Resolution 3D Earth Models to Predict Key Observables in Seismic Monitoring and Related Fields' on June 6 and 7, 2007 in Berkeley, California. The workshop brought together academic, government and industry leaders in the research programs developing 3D seismic models and methods for the nuclear explosion monitoring and seismic ground motion hazard communities. The workshop was designed to assess the current state of work in 3D seismology and to discuss a path forward for determining if and how 3D earth models and techniques can be used to achieve measurable increases in our capabilities for monitoring underground nuclear explosions and characterizing seismic ground motion hazards. This paper highlights some of the presentations, issues, and discussions at the workshop and proposes a path by which to begin quantifying the potential contribution of progressively refined 3D seismic models in critical applied arenas.
Date: February 11, 2008
Creator: Antoun, T; Harris, D; Lay, T; Myers, S C; Pasyanos, M E; Richards, P et al.
Partner: UNT Libraries Government Documents Department

A Strength and Damage Model for Rock Under Dynamic Loading

Description: A thermodynamically consistent strength and failure model for granite under dynamic loading has been developed and evaluated. The model agrees with static strength measurements and describes the effects of pressure hardening, bulking, shear-enhanced compaction, porous dilation, tensile failure, and failure under compression due to distortional deformations. This paper briefly describes the model and the sensitivity of the simulated response to variations in the model parameters and in the inelastic deformation processes used in different simulations. Numerical simulations of an underground explosion in granite are used in the sensitivity study.
Date: December 1, 1999
Creator: Vorobiev, O.Y.; Antoun, T.H.; Lomov, I.N. & Glenn, L.A.
Partner: UNT Libraries Government Documents Department

J-Integral modeling and validation for GTS reservoirs.

Description: Non-destructive detection methods can reliably certify that gas transfer system (GTS) reservoirs do not have cracks larger than 5%-10% of the wall thickness. To determine the acceptability of a reservoir design, analysis must show that short cracks will not adversely affect the reservoir behavior. This is commonly done via calculation of the J-Integral, which represents the energetic driving force acting to propagate an existing crack in a continuous medium. J is then compared against a material's fracture toughness (J{sub c}) to determine whether crack propagation will occur. While the quantification of the J-Integral is well established for long cracks, its validity for short cracks is uncertain. This report presents the results from a Sandia National Laboratories project to evaluate a methodology for performing J-Integral evaluations in conjunction with its finite element analysis capabilities. Simulations were performed to verify the operation of a post-processing code (J3D) and to assess the accuracy of this code and our analysis tools against companion fracture experiments for 2- and 3-dimensional geometry specimens. Evaluation is done for specimens composed of 21-6-9 stainless steel, some of which were exposed to a hydrogen environment, for both long and short cracks.
Date: January 1, 2009
Creator: Martinez-Canales, Monica L.; Nibur, Kevin A.; Lindblad, Alex J.; Brown, Arthur A.; Ohashi, Yuki; Zimmerman, Jonathan A. et al.
Partner: UNT Libraries Government Documents Department

High fidelity frictional models for MEMS.

Description: The primary goals of the present study are to: (1) determine how and why MEMS-scale friction differs from friction on the macro-scale, and (2) to begin to develop a capability to perform finite element simulations of MEMS materials and components that accurately predicts response in the presence of adhesion and friction. Regarding the first goal, a newly developed nanotractor actuator was used to measure friction between molecular monolayer-coated, polysilicon surfaces. Amontons law does indeed apply over a wide range of forces. However, at low loads, which are of relevance to MEMS, there is an important adhesive contribution to the normal load that cannot be neglected. More importantly, we found that at short sliding distances, the concept of a coefficient of friction is not relevant; rather, one must invoke the notion of 'pre-sliding tangential deflections' (PSTD). Results of a simple 2-D model suggests that PSTD is a cascade of small-scale slips with a roughly constant number of contacts equilibrating the applied normal load. Regarding the second goal, an Adhesion Model and a Junction Model have been implemented in PRESTO, Sandia's transient dynamics, finite element code to enable asperity-level simulations. The Junction Model includes a tangential shear traction that opposes the relative tangential motion of contacting surfaces. An atomic force microscope (AFM)-based method was used to measure nano-scale, single asperity friction forces as a function of normal force. This data is used to determine Junction Model parameters. An illustrative simulation demonstrates the use of the Junction Model in conjunction with a mesh generated directly from an atomic force microscope (AFM) image to directly predict frictional response of a sliding asperity. Also with regards to the second goal, grid-level, homogenized models were studied. One would like to perform a finite element analysis of a MEMS component assuming nominally flat surfaces and to include ...
Date: October 1, 2004
Creator: Carpick, Robert W.; Reedy, Earl David, Jr.; Bitsie, Fernando; de Boer, Maarten Pieter; Corwin, Alex David; Ashurst, William Robert et al.
Partner: UNT Libraries Government Documents Department