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At least 19 records

Cluster dynamics models of irradiation damage accumulation in ferritic iron. II. Effects of reaction dimensionality

The black dot damage features which develop in iron at low temperatures exhibit significant mobility during in situ irradiation experiments via a series of discrete, intermittent, long range hops. By incorporating this mobility into cluster dynamics models, the temperature dependence of such damage structures can be explained with a surprising degree of accuracy. Such motion, however, is one dimensional in nature. This aspect of the physics has not been fully considered in prior models. This article describes one dimensional reaction kinetics in the context of cluster dynamics and applies them to the black dot problem. This allows both a more detailed description of the mechanisms by which defects execute irradiation-induced hops while allowing a full examination of the importance of kinetic assumptions in accurately assessing the development of this irradiation microstructure. Results are presented to demonstrate whether one dimensional diffusion alters the dependence of the defect population on factors such as temperature and defect hop length. Finally, the size of interstitial loops that develop is shown to depend on the extent of the reaction volumes between interstitial clusters, as well as the dimensionality of these interactions.

36 MATERIALS SCIENCE↗

Computationally-efficient stochastic cluster dynamics method for modeling damage accumulation in irradiated materials

An improved version of a recently developed stochastic cluster dynamics (SCD) method (Marian and Bulatov, 2012) [6] is introduced as an alternative to rate theory (RT) methods for solving coupled ordinary differential equation (ODE) systems for irradiation damage simulations. SCD circumvents by design the curse of dimensionality of the variable space that renders traditional ODE-based RT approaches inefficient when handling complex defect population comprised of multiple (more than two) defect species. Several improvements introduced here enable efficient and accurate simulations of irradiated materials up to realistic (high) damage doses characteristic of next-generation nuclear systems. The first improvement is a procedure for efficiently updating the defect reaction-network and event selection in the context of a dynamically expanding reaction-network. Next is a novel implementation of the τ-leaping method that speeds up SCD simulations by advancing the state of the reaction network in large time increments when appropriate. Lastly, a volume rescaling procedure is introduced to control the computational complexity of the expanding reaction-network through occasional reductions of the defect population while maintaining accurate statistics. The enhanced SCD method is then applied to model defect cluster accumulation in iron thin films subjected to triple ion-beam (Fe{sup 3+}, He{sup +} and H{sup +}) irradiations, for which standard RT or spatially-resolved kinetic Monte Carlo simulations are prohibitively expensive.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

RBS/C, HRTEM and HRXRD study of damage accumulation in irradiated SrTiO3

Damage accumulation in argon-irradiated SrTiO3 single crystals has been studied by using combination of Rutherford Backscattering/Channeling (RBS/C), High Resolution Transmission Electron Microscopy (HRTEM) and High Resolution X-Ray Diffraction (HRXRD) techniques. The RBS/C spectra were fitted using McChasy, a Monte Carlo simulation code allowing the quantitative analysis of amorphous-like and dislocation-like types of defects. The results were interpreted by using a Multi-Step Damage Accumulation model which assumes, that the damage accumulation occurs in a series of structural transformations, the defect transformations are triggered by a stress caused by formation of a free volume in the irradiated crystal. This assumption has been confirmed by High Resolution Transmission Electron Microscopy and High Resolution X-Ray Diffraction analysis.

damage accumulation, radiation defects, oxides, ir↗

On the Effect of Ramp Rate in Damage Accumulation of the CPV Die-Attach: Preprint

It is commonly understood that thermal cycling at high temperature ramp rates may activate unrepresentative failure mechanisms. Increasing the temperature ramp rate of thermal cycling, however, could dramatically reduce the test time required to achieve an equivalent amount of thermal fatigue damage, thereby reducing overall test time. Therefore, the effect of temperature ramp rate on physicaldamage in the CPV die-attach is investigated. Finite Element Model (FEM) simulations of thermal fatigue and thermal cycling experiments are made to determine if the amount of damage calculated results in a corresponding amount of physical damage measured to the die-attach for a variety of fast temperature ramp rates. Preliminary experimental results are in good agreement with simulations andreinforce the potential of increasing temperature ramp rates. Characterization of the microstructure and resulting fatigue crack in the die-attach suggest a similar failure mechanism across all ramp rates tested.

14 SOLAR ENERGY↗

Atomistic simulation of damage accumulation and amorphization in Ge

Damage accumulation and amorphization mechanisms by means of ion implantation in Ge are studied using Kinetic Monte Carlo and Binary Collision Approximation techniques. Such mechanisms are investigated through different stages of damage accumulation taking place in the implantation process: from point defect generation and cluster formation up to full amorphization of Ge layers. We propose a damage concentration amorphization threshold for Ge of ∼1.3 × 10{sup 22} cm{sup −3} which is independent on the implantation conditions. Recombination energy barriers depending on amorphous pocket sizes are provided. This leads to an explanation of the reported distinct behavior of the damage generated by different ions. We have also observed that the dissolution of clusters plays an important role for relatively high temperatures and fluences. The model is able to explain and predict different damage generation regimes, amount of generated damage, and extension of amorphous layers in Ge for different ions and implantation conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of composition on damage accumulation in ternary ZnO-based oxides implanted with heavy ions

Thin films of wurtzite Mg{sub x}Zn{sub 1-x}O (x{<=}0.3) grown by molecular beam epitaxy and wurtzite Cd{sub x}Zn{sub 1-x}O (x{<=}0.05) grown by metal organic chemical vapor deposition were implanted at room temperature with 150 keV Er{sup +} ions and 200 keV Au{sup +} ions in a wide dose range. Damage accumulation was studied by Rutherford backscattering/channeling spectrometry. Results show that the film composition affects the damage accumulation behavior in both MgZnO and CdZnO dramatically. In particular, increasing the Mg content in MgZnO results in enhanced damage accumulation in the region between the bulk and surface damage peaks characteristically distinguished in the pure ZnO. However, the overall damage accumulation in MgZnO layers, as well as in pure ZnO, exhibits saturation with increasing ion dose and MgZnO cannot be amorphized even at the highest ion dose used (3x10{sup 16} Er/cm{sup 2}). Increasing the Cd content in CdZnO affects the saturation stage of the damage accumulation and leads to an enhancement of damage production in both Cd and Zn sublattices.

36 MATERIALS SCIENCE↗

Radiation tolerance of ceramics—Insights from atomistic simulation of damage accumulation in pyrochlores

We have used molecular dynamics simulations to examine the effects of radiation damage accumulation in two pyrochlore-structured ceramics, namely Gd2Ti2O7 and Gd2Zr2O7. It is well known from experiment that the titanate is susceptible to radiation-induced amorphization, while the zirconate does not go amorphous under prolonged irradiation. Our simulations show that cation Frenkel pair accumulation eventually leads to amorphization of Gd2Ti2O7. Anion disorder occurs with cation disorder. The amorphization is accompanied by a density decrease of about 12.7% and a decrease of about 50% in the elastic modulus. In Gd2Zr2O7, amorphization does not occur, because the residual damage is not sufficiently energetic to drive the material amorphous. Subtle differences in damage accumulation and annealing between the two pyrochlores lead to drastically different radiation response as the damage accumulates.

ceramic↗

Comparison of Two Models for Damage Accumulation in Simulations of System Performance

A comprehensive simulation study of system performance needs to address variations in component behavior, variations in phenomenology, and the coupling between phenomenology and component failure. This paper discusses two models of this: 1. damage accumulation is modeled as a random walk process in each time history, with component failure occurring when damage accumulation reaches a specified threshold; or 2. damage accumulation is modeled mechanistically within each time history, but failure occurs when damage reaches a time-history-specific threshold, sampled at time zero from each component’s distribution of damage tolerance. A limiting case of the latter is classical discrete-event simulation, with component failure times sampled a priori from failure time distributions; but in such models, the failure times are not typically adjusted for operating conditions varying within a time history. Nowadays, as discussed below, it is practical to account for this. The paper compares the interpretations and computational aspects of the two models mentioned above.

42 ENGINEERING↗

Ion mass dependence of irradiation-induced damage accumulation in KTaO 3

Damage production and amorphization resulting from the interaction of medium-energy (from 40 to 480 keV) noble-gas ions (from He to Kr) with potassium tantalate (KTaO 3 ) are determined using ion channeling measurements. A disorder accumulation model has been fit to the maximum damage concentration versus ion fluence to extract the cross sections for direct-impact and defect-stimulated amorphization, and the results indicate that defect-stimulated amorphization is the dominant mechanism. These cross sections exhibit a strong dependence on the calculated cross sections for displacing lattice atoms, indicating a dominant contribution of nuclear interactions to the defect production and amorphization processes under the irradiation conditions used in this study. Furthermore, these experimental findings, along with the model fits, suggest that the difference in recoil spectra between He and the other heavier ions may be the main driving force for the decreased damage efficiency observed for He ions, which results in a reduced rate of damage accumulation.

36 MATERIALS SCIENCE↗

Failure modes and damage accumulation in laminated composites with free edges

The influence of fiber orientation, stacking sequence, material properties and edge effects on the accumulation of damage and modes of failure in angle-ply and quasi-isotropic composite laminates are studied. Experimental results are presented for graphite-epoxy and graphite-polyimide coupons subjected to tensile load. It is shown that all the parameters studied can have a significant influence on the behavior of the composite.

Herakovich, Carl T.↗

An advanced test technique to quantify thermomechanical fatigue damage accumulation in composite materials

A mechanical test technique was developed to assist in quantifying the accumulation of damage in composite materials during thermomechanical fatigue (TMF) cycling. This was accomplished by incorporating definitive elastic mechanical property measurements into an ongoing load-controlled TMF test without disturbing the test specimen or significantly altering the test conditions. The technique allows two fundamental composite properties consisting of the isothermal elastic static moduli and the macroscopic coefficient of thermal expansion (CTE) to be measured and collected as functions of the TMF cycles. The specific implementation was incorporated into the commonly employed idealized in-phase and out-of-phase TMF cycles. However, the techniques discussed could be easily implemented into any form of load-controlled TMF mission cycle. By quantifying the degradations of these properties, tremendous insights are gained concerning the progression of macroscopic composite damage and often times the progression of damage within a given constituent. This information should also be useful for the characterization and essential for the verification of analytical damage modeling methodologies. Several examples utilizing this test technique are given for three different fiber lay-ups of titanium metal matrix composites.

Castelli, Michael G.↗

Microscale Characterization of Damage Accumulation in CMCs

The developing roles of damage mechanisms in the failure response of SiC/SiC minicomposites was investigated by the characterization of microscale damage accumulation with respect to microstructure. A multi-modal approach combining spatially resolved acoustic emission (AE) with tensile testing in-SEM (scanning electron microscope) was used to simultaneously examine surface (observed in-SEM) and bulk damage (monitored via AE). Strong agreement was shown between the evolving crack density estimated by AE and in-SEM measurements. The following were observed: (i) in-plane matrix content and distribution impacted crack growth; (ii) spatially-distributed matrix cracks generated varying stress-dependent AE; and (iii) certain individual cracks became more probable failure locations due to unique combinations of damage mechanisms that drove their growth. This approach enabled characterizing potential failure determinants and suggests that early damage behavior is related to certain microstructural features (e.g. surface flaws), while subsequent damage behavior is coupled to interactions of local mechanisms evolving with stress.

ceramic matrix composites↗

Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys

A combined experimental and computational evaluation of damage accumulation in ion-irradiated Ni, NiFe, and NiFeCoCr is presented. Furthermore, a suppressed damage accumulation, at early stages (low-fluence irradiation), is revealed in NiFeCoCr, with a linear dependence as a function of ion fluence, in sharp contrast with Ni and NiFe. This effect, observed at 16 K, is attributed to the complex energy landscape in these alloys that limits defect mobility and therefore enhances defect interaction and recombination. Our results, together with previous room-temperature and high-temperature investigations, suggest "self-healing" as an intrinsic property of complex alloys that is not a thermally activated process.

36 MATERIALS SCIENCE↗

Acoustic Emission and Damage Accumulation for Various Woven C/SiC Composites Tested in Tension at Room Temperature

Modal acoustic emission (AE) has proven to be an excellent technique to monitor damage accumulation in ceramic matrix composites. In this study, AE was used to monitor tensile load-unload-reload hysteresis tests for a variety of C fiber reinforced, SiC matrix composites. C/SiC composites were reinforced with T300 and IM7 fibers, had C, multilayer, or pseudo-porous C interphases, and had chemical vapor infiltrated SiC or melt-infiltrated SiC matrices. All of the composites exhibited considerable AE during testing. The extent and nature of the AE activity will be analyzed and discussed in light of matrix cracking and the variety of composite constituents. It is hoped that understanding the nature of stress dependent damage accumulation in these materials can be of use in life modeling for these types of composites.

Morscher, Gregory N.↗

Acoustic Emission and Damage Accumulation for Various Woven C/SiC Composites Tested in Tension at Room Temperature

Modal acoustic emission (AE) has proven to be an excellent technique to monitor damage accumulation in ceramic matrix composites. In this study, AE was used to monitor tensile load-unload-reload hysteresis tests for a variety of C fiber reinforced, Sic matrix composites. C/SiC composites were reinforced with T-300 and IM7 fibers, had C, multilayer, or pseudo-porous C interphases, and had chemical vapor infiltrated Sic or melt-infiltrated SiC matrices. All of the composites exhibited considerable AE during testing. The extent and nature of the AE activity will be analyzed and discussed in light of matrix cracking and the variety of composite constituents. It is hoped that understanding the nature of stress-dependent damage accumulation in these materials can be of use in life-modeling for these types of composites.

Morscher, Gregory↗

Coupled effects of electronic and nuclear energy deposition on damage accumulation in ion-irradiated SiC

Coupling between electronic and nuclear energy dissipation in ion-irradiated, single crystal 4H-SiC has been investigated using Si, Ti, and Ni ions over a range of energies at 300 K, and irradiation damage accumulation is characterized using Rutherford backscattering spectroscopy in channeling geometry. The damage production rate from nuclear energy loss (S n ) is observed to decrease with increasing electronic energy loss (S e ) of the incident ions. A dynamic threshold (S e,th ) in electronic energy loss is determined for each ion species, which defines two regions: i) S e > S e,th , where electronic energy dissipation fully suppresses damage production due to nuclear energy loss along incident ion paths, and ii) S e < S e,th , where simultaneous damage recovery due to Se competes with damage production processes. Here, the electronic energy loss threshold (S e,th ) increases sublinearly with incident ion atomic number. Here, the assessment of S e,th and how it affects damage accumulation is important to advance the understanding of complex processes occurring under ion-solid interactions, as well as in the design of functional materials for opto-electronics and novel structural materials and devices tolerant to harsh thermal and radiation environments.

36 MATERIALS SCIENCE↗

Modal Acoustic Emission of Damage Accumulation in Woven SiC/SiC at Elevated Temperatures

Ceramic matrix composites exhibit significant nonlinear stress-strain behavior that makes them attractive as potential materials for many high temperature applications. The mechanisms for this nonlinear stress-strain behavior are all associated with various types of damage in the composites, e.g. transverse matrix cracks and individual fiber failures. Modal acoustic emission has been employed to aid in discerning the damage accumulation that occurs during elevated temperature tensile stress-rupture of woven Hi-Nicalon fiber, BN interphase, SiC matrix composites. It is shown that modal acoustic emission is an effective monitor of the relative damage accumulation in the composites and locator of the damage and failure events as a function of strain (stress), time at temperature, and temperature gradients along the length of the elevated temperature test specimen.

Morscher, G. N.↗