Heterogeneous dislocation loop formation near grain boundaries in a neutron-irradiated commercial FeCrAl alloy

NASA Astrophysics Data System (ADS)

Field, Kevin G.; Briggs, Samuel A.; Hu, Xunxiang; Yamamoto, Yukinori; Howard, Richard H.; Sridharan, Kumar

2017-01-01

FeCrAl alloys are an attractive class of materials for nuclear power applications because of their increased environmental compatibility compared with more traditional nuclear materials. Preliminary studies into the radiation tolerance of FeCrAl alloys under accelerated neutron testing between 300 and 400 °C have shown post-irradiation microstructures containing dislocation loops and a Cr-rich α‧ phase. Although these initial studies established the post-irradiation microstructures, there was little to no focus on understanding the influence of pre-irradiation microstructures on this response. In this study, a well-annealed commercial FeCrAl alloy, Alkrothal 720, was neutron irradiated to 1.8 displacements per atom (dpa) at 382 °C and then the effect of random high-angle grain boundaries on the spatial distribution and size of a〈100〉 dislocation loops, a/2〈111〉 dislocation loops, and black dot damage was analyzed using on-zone scanning transmission electron microscopy. Results showed a clear heterogeneous dislocation loop formation with a/2〈111〉 dislocation loops showing an increased number density and size, black dot damage showing a significant number density decrease, and a〈100〉 dislocation loops exhibiting an increased size in the vicinity of the grain boundary. These results suggest the importance of the pre-irradiation microstructure and, specifically, defect sink density spacing to the radiation tolerance of FeCrAl alloys.

Modal analysis of dislocation vibration and reaction attempt frequency

DOE PAGES

Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; ...

2017-02-04

Transition state theory is a fundamental approach for temporal coarse-graining. It estimates the reaction rate for a transition processes by quantifying the activation free energy and attempt frequency for the unit process. To calculate the transition rate of a gliding dislocation, the attempt frequency is often obtained from line tension estimates of dislocation vibrations, a highly simplified model of dislocation behavior. This work revisits the calculation of attempt frequency for a dislocation bypassing an obstacle, in this case a self-interstitial atom (SIA) loop. First, a direct calculation of the vibrational characteristics of a finite pinned dislocation segment is compared tomore » line tension estimates before moving to the more complex case of dislocation-obstacle bypass. The entropic factor associated with the attempt frequency is calculated for a finite dislocation segment and for an infinite glide dislocation interacting with an SIA loop. Lastly, it is found to be dislocation length independent for three cases of dislocation-self interstitial atom (SIA) loop interactions.« less

Crystal defect studies using x-ray diffuse scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Larson, B.C.

1980-01-01

Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation intomore » dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.« less

Neutron irradiation effects in Fe and Fe-Cr at 300 °C

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Wei-Ying; Miao, Yinbin; Gan, Jian

2016-06-01

Fe and Fe-Cr (Cr = 10–16 at.%) specimens were neutron-irradiated at 300 °C to 0.01, 0.1 and 1 dpa. The TEM observations indicated that the Cr significantly reduced the mobility of dislocation loops and suppressed vacancy clustering, leading to distinct damage microstructures between Fe and Fe-Cr. Irradiation-induced dislocation loops in Fe were heterogeneously observed in the vicinity of grown-in dislocations, whereas the loop distribution observed in Fe-Cr is much more uniform. Voids were observed in the irradiated Fe samples, but not in irradiated Fe-Cr samples. Increasing Cr content in Fe-Cr results in a higher density, and a smaller size ofmore » irradiation-induced dislocation loops. Orowan mechanism was used to correlate the observed microstructure and hardening, which showed that the hardening in Fe-Cr can be attributed to the formation of dislocation loops and α' precipitates.« less

Characterization of faulted dislocation loops and cavities in ion irradiated alloy 800H

NASA Astrophysics Data System (ADS)

Ulmer, Christopher J.; Motta, Arthur T.

2018-01-01

Alloy 800H is a high nickel austenitic stainless steel with good high temperature mechanical properties which is considered for use in current and advanced nuclear reactor designs. The irradiation response of 800H was examined by characterizing samples that had been bulk ion irradiated at the Michigan Ion Beam Laboratory with 5 MeV Fe2+ ions to 1, 10, and 20 dpa at 440 °C. Transmission electron microscopy was used to measure the size and density of both {111} faulted dislocation loops and cavities as functions of depth from the irradiated surface. The faulted loop density increased with dose from 1 dpa up to 10 dpa where it saturated and remained approximately the same until 20 dpa. The faulted loop average diameter decreased between 1 dpa and 10 dpa and again remained approximately constant from 10 dpa to 20 dpa. Cavities were observed after irradiation doses of 10 and 20 dpa, but not after 1 dpa. The average diameter of cavities increased with dose from 10 to 20 dpa, with a corresponding small decrease in density. Cavity denuded zones were observed near the irradiated surface and near the ion implantation peak. To further understand the microstructural evolution of this alloy, FIB lift-out samples from material irradiated in bulk to 1 and 10 dpa were re-irradiated in-situ in their thin-foil geometry with 1 MeV Kr2+ ions at 440 °C at the Intermediate Voltage Electron Microscope. It was observed that the cavities formed during bulk irradiation shrank under thin-foil irradiation in-situ while dislocation loops were observed to grow and incorporate into the dislocation network. The thin-foil geometry used for in-situ irradiation is believed to cause the cavities to shrink.

Ultrasonic Study of Dislocation Dynamics in Lithium -

NASA Astrophysics Data System (ADS)

Han, Myeong-Deok

1987-09-01

Experimental studies of dislocation dynamics in LiF single crystals, using ultrasonic techniques combined with dynamic loading, were performed to investigate the time evolution of the plastic deformation process under a short stress pulse at room temperature, and the temperature dependence of the dislocation damping mechanism in the temperature range 25 - 300(DEGREES)K. From the former, the time dependence of the ultrasonic attenuation was understood as resulting from dislocation multiplication followed by the evolution of mobile dislocations to immobile ones under large stress. From the latter, the temperature dependence of the ultrasonic attenuation was interpreted as due to the motion of the dislocation loops overcoming the periodic Peierls potential barrier in a manner analogous to the motion of a thermalized sine-Gordon chain under a small stress. The Peierls stress obtained from the experimental results by application of Seeger's relaxation model with exponential dislocation length distribution was 4.26MPa, which is consistent with the lowest stress for the linear relation between the dislocation velocity and stress observed by Flinn and Tinder.

Full characterization of dislocations in ion-irradiated polycrystalline UO2

NASA Astrophysics Data System (ADS)

Onofri, C.; Legros, M.; Léchelle, J.; Palancher, H.; Baumier, C.; Bachelet, C.; Sabathier, C.

2017-10-01

In order to fully characterize the dislocation loops and lines features (Burgers vectors, habit/slip planes, interstitial or vacancy type) induced by irradiation in UO2, polycrystalline thin foils were irradiated with 4 MeV Au or 390 keV Xe ions at different temperatures (25, 600 and 800 °C) and fluences (0.5 and 1 × 1015 ions/cm2), and further analyzed using TEM. In all the cases, this study, performed on a large number of dislocation loops (diameter ranging from 10 to 80 nm) and for the first time on several dislocation lines, reveals unfaulted prismatic dislocation loops with an interstitial nature and Burgers vectors only along the <110>-type directions. Almost 60% of the studied loops are purely prismatic type and lie on {110} habit planes perpendicular to the Burgers vector directions. The others lie on the {110} or {111} planes, which are neither perpendicular to the Burgers vectors, nor contain them. About 87% of the dislocation lines, formed by loop overlapping as fluence increases, are edge or mixed type in the <100>{100} slip systems, as those induced under mechanical load.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Ning; Shen, Tielong; Kurtz, Richard

The properties of nano-scale interstitial dislocation loops under the coupling effect of stress and temperature are studied using atomistic simulation methods and experiments. The decomposition of a loop by the emission of smaller loops is identified as one of the major mechanisms to release the localized stress induced by the coupling effect, which is validated by the TEM observations. The classical conservation law of Burgers vector cannot be applied during such decomposition process. The dislocation network is formed from the decomposed loops, which may initiate the irradiation creep much earlier than expected through the mechanism of climb-controlled glide of dislocations.

Small bowel entrapment and ureteropelvic junction disruption associated with L3 Chance fracture-dislocation.

PubMed

Pesenti, Sebastien; Blondel, Benjamin; Faure, Alice; Peltier, Emilie; Launay, Franck; Jouve, Jean-Luc

2016-09-16

Paediatric Chance fracture are rare lesions but often associated with abdominal injuries. We herein present the case of a seven years old patient who sustained an entrapment of small bowel and an ureteropelvic disruption associated with a Chance fracture and spine dislocation following a traffic accident. Initial X-rays and computed tomographic (CT) scan showed a Chance fracture with dislocation of L3 vertebra, with an incarceration of a small bowel loop in the spinal canal and a complete section of the left lumbar ureter. Paraplegia was noticed on the initial neurological examination. A posterior L2-L4 osteosynthesis was performed firstly. In a second time she underwent a sus umbilical laparotomy to release the incarcerated jejunum loop in the spinal canal. An end-to-end anastomosis was performed on a JJ probe to suture the left injured ureter. One month after the traumatism, she started to complain of severe headaches related to a leakage of cerebrospinalis fluid. Three months after the traumatism there was a clear regression of the leakage. One year after the trauma, an anterior intervertebral fusion was done. At final follow-up, no neurologic recovery was noticed. In case of Chance fracture, all physicians should think about abdominal injuries even if the patient is asymptomatic. Initial abdominal CT scan and magnetic resonance imaging provide in such case crucial info for management of the spine and the associated lesions.

Displacement Fields and Self-Energies of Circular and Polygonal Dislocation Loops in Homogeneous and Layered Anisotropic Solids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Yanfei; Larson, Ben C.

There are large classes of materials problems that involve the solutions of stress, displacement, and strain energy of dislocation loops in elastically anisotropic solids, including increasingly detailed investigations of the generation and evolution of irradiation induced defect clusters ranging in sizes from the micro- to meso-scopic length scales. Based on a two-dimensional Fourier transform and Stroh formalism that are ideal for homogeneous and layered anisotropic solids, we have developed robust and computationally efficient methods to calculate the displacement fields for circular and polygonal dislocation loops. Using the homogeneous nature of the Green tensor of order -1, we have shown thatmore » the displacement and stress fields of dislocation loops can be obtained by numerical quadrature of a line integral. In addition, it is shown that the sextuple integrals associated with the strain energy of loops can be represented by the product of a pre-factor containing elastic anisotropy effects and a universal term that is singular and equal to that for elastic isotropic case. Furthermore, we have found that the self-energy pre-factor of prismatic loops is identical to the effective modulus of normal contact, and the pre-factor of shear loops differs from the effective indentation modulus in shear by only a few percent. These results provide a convenient method for examining dislocation reaction energetic and efficient procedures for numerical computation of local displacements and stresses of dislocation loops, both of which play integral roles in quantitative defect analyses within combined experimental–theoretical investigations.« less

Displacement Fields and Self-Energies of Circular and Polygonal Dislocation Loops in Homogeneous and Layered Anisotropic Solids

DOE PAGES

Gao, Yanfei; Larson, Ben C.

2015-06-19

There are large classes of materials problems that involve the solutions of stress, displacement, and strain energy of dislocation loops in elastically anisotropic solids, including increasingly detailed investigations of the generation and evolution of irradiation induced defect clusters ranging in sizes from the micro- to meso-scopic length scales. Based on a two-dimensional Fourier transform and Stroh formalism that are ideal for homogeneous and layered anisotropic solids, we have developed robust and computationally efficient methods to calculate the displacement fields for circular and polygonal dislocation loops. Using the homogeneous nature of the Green tensor of order -1, we have shown thatmore » the displacement and stress fields of dislocation loops can be obtained by numerical quadrature of a line integral. In addition, it is shown that the sextuple integrals associated with the strain energy of loops can be represented by the product of a pre-factor containing elastic anisotropy effects and a universal term that is singular and equal to that for elastic isotropic case. Furthermore, we have found that the self-energy pre-factor of prismatic loops is identical to the effective modulus of normal contact, and the pre-factor of shear loops differs from the effective indentation modulus in shear by only a few percent. These results provide a convenient method for examining dislocation reaction energetic and efficient procedures for numerical computation of local displacements and stresses of dislocation loops, both of which play integral roles in quantitative defect analyses within combined experimental–theoretical investigations.« less

Dislocation loops in ultra-high purity Fe(Cr) alloys after 7.2 MeV proton irradiation

NASA Astrophysics Data System (ADS)

Chen, J.; Duval, F.; Jung, P.; Schäublin, R.; Gao, N.; Barthe, M. F.

2018-05-01

Ultra-high purity Fe(Cr) alloys (from 0 wt% Cr to 14 wt% Cr) were 3D homogeneously irradiated by 0-7.2 MeV protons to 0.3 dpa at nominal temperatures from 270 °C to 500 °C. Microstructural changes were observed by transmission electron microscopy (TEM). The results showed that evolution of dislocation loops depends on the Cr content. Below 300 °C, large ½ a0 <111> loops are dominating. Above 300 °C, a0 <100> loops with a habit plane {100} appear. Loop sizes of both types are more or less the same. At temperatures from 310 °C to 400 °C, a0 <100> loops form clusters with the same {100} habit plane as the one of the loops forming them. This indicates that <100> loops of the same variant start gliding under mutual elastic interaction. At 500 °C, dislocation loops form disc shaped clusters about 1000 nm in diameter and sitting on {111} and/or {100} planes in the pure Fe samples. Based on these observations a quantitative analysis of the dislocation loops configurations and their temperature dependence is made, leading to an understanding of the basic mechanisms of formation of these loops.

TEM characterization of irradiated microstructure of Fe-9%Cr ODS and ferritic-martensitic alloys

NASA Astrophysics Data System (ADS)

Swenson, M. J.; Wharry, J. P.

2018-04-01

The objective of this study is to evaluate the effects of irradiation dose and dose rate on defect cluster (i.e. dislocation loops and voids) evolution in a model Fe-9%Cr oxide dispersion strengthened steel and commercial ferritic-martensitic steels HCM12A and HT9. Complimentary irradiations using Fe2+ ions, protons, or neutrons to doses ranging from 1 to 100 displacements per atom (dpa) at 500 °C are conducted on each alloy. The irradiated microstructures are characterized using transmission electron microscopy (TEM). Dislocation loops exhibit limited growth after 1 dpa upon Fe2+ and proton irradiation, while any voids observed are small and sparse. The average size and number density of loops are statistically invariant between Fe2+, proton, and neutron irradiated specimens at otherwise fixed irradiation conditions of ∼3 dpa, 500 °C. Therefore, we conclude that higher dose rate charged particle irradiations can reproduce the neutron irradiated loop microstructure with temperature shift governed by the invariance theory; this temperature shift is ∼0 °C for the high sink strength alloys studied herein.

Cross Slip of Dislocation Loops in GaN Under Shear

DTIC Science & Technology

2014-03-01

methodology 2.1 Discrete dislocation dynamic ( DDD ) simula- tions In this work, we employ a modified version of the ParaDiS code [15, 16]. First a...plane. 4 Conclusions The cross slip mechanisms of different dislocation loops have been studied via DDD simulations using the type <a> active

Singularity-free dislocation dynamics with strain gradient elasticity

NASA Astrophysics Data System (ADS)

Po, Giacomo; Lazar, Markus; Seif, Dariush; Ghoniem, Nasr

2014-08-01

The singular nature of the elastic fields produced by dislocations presents conceptual challenges and computational difficulties in the implementation of discrete dislocation-based models of plasticity. In the context of classical elasticity, attempts to regularize the elastic fields of discrete dislocations encounter intrinsic difficulties. On the other hand, in gradient elasticity, the issue of singularity can be removed at the outset and smooth elastic fields of dislocations are available. In this work we consider theoretical and numerical aspects of the non-singular theory of discrete dislocation loops in gradient elasticity of Helmholtz type, with interest in its applications to three dimensional dislocation dynamics (DD) simulations. The gradient solution is developed and compared to its singular and non-singular counterparts in classical elasticity using the unified framework of eigenstrain theory. The fundamental equations of curved dislocation theory are given as non-singular line integrals suitable for numerical implementation using fast one-dimensional quadrature. These include expressions for the interaction energy between two dislocation loops and the line integral form of the generalized solid angle associated with dislocations having a spread core. The single characteristic length scale of Helmholtz elasticity is determined from independent molecular statics (MS) calculations. The gradient solution is implemented numerically within our variational formulation of DD, with several examples illustrating the viability of the non-singular solution. The displacement field around a dislocation loop is shown to be smooth, and the loop self-energy non-divergent, as expected from atomic configurations of crystalline materials. The loop nucleation energy barrier and its dependence on the applied shear stress are computed and shown to be in good agreement with atomistic calculations. DD simulations of Lome-Cottrell junctions in Al show that the strength of the junction and its configuration are easily obtained, without ad-hoc regularization of the singular fields. Numerical convergence studies related to the implementation of the non-singular theory in DD are presented.

Damage structures in fission-neutron irradiated Ni-based alloys at high temperatures

NASA Astrophysics Data System (ADS)

Yamakawa, K.; Shimomura, Y.

1999-01-01

The defects formed in Ni based (Ni-Si, Ni-Cu and Ni-Fe) alloys which were irradiated with fission-neutrons were examined by electron microscopy. Irradiations were carried out at 473 K and 573 K. In the 473 K irradiated specimens, a high density of large interstitial loops and small vacancy clusters with stacking fault tetrahedra (SFT) were observed. The number densities of these two types of defects did not strongly depend on the amount of solute atoms in each alloy. The density of the loops in Ni-Si alloys was much higher than those in Ni-Cu and Ni-Fe alloys, while the density of SFT only slightly depended on the kind of solute. Also, the size of the loops depended on the kinds and amounts of solute. In 573 K irradiated Ni-Cu specimens, a high density of dislocation lines developed during the growth of interstitial loops. In Ni-Si alloys, the number density and size of the interstitial loops changed as a function of the amount of solute. Voids were formed in Ni-Cu alloys but scarcely formed in Ni-Si alloys. The number density of voids was one hundredth of that of SFT observed in 473 K irradiated Ni-Cu alloys. Possible formation processes of interstitial loops, SFT dislocation lines and voids are discussed.

Misfit stress relaxation in composite core-shell nanowires with parallelepiped cores using rectangular prismatic dislocation loops

NASA Astrophysics Data System (ADS)

Krasnitckii, S. A.; Kolomoetc, D. R.; Smirnov, A. M.; Gutkin, M. Yu

2018-03-01

The misfit stress relaxation via generation of rectangular prismatic dislocation loops at the interface in core-shell nanowires is considered. The core has the shape of a long parallelepiped of a square cross-section. The energy change caused by loop generation in such nanowires is calculated. Critical conditions for the onset of such loops are calculated and analyzed.

Growth rate effects on the formation of dislocation loops around deep helium bubbles in Tungsten

DOE PAGES

Sandoval, Luis; Perez, Danny; Uberuaga, Blas P.; ...

2016-11-15

Here, the growth process of spherical helium bubbles located 6 nm below a (100) surface is studied using molecular dynamics and parallel replica dynamics simulations, over growth rates from 10 6 to 10 12 helium atoms per second. Slower growth rates lead to a release of pressure and lower helium content as compared with fast growth cases. In addition, at slower growth rates, helium bubbles are not decorated by multiple dislocation loops, as these tend to merge or emit given sufficient time. At faster rates, dislocation loops nucleate faster than they can emit, leading to a more complicated dislocation structuremore » around the bubble.« less

Structural defect accumulation in tungsten and tungsten-5wt.% tantalum under incremental proton damage

NASA Astrophysics Data System (ADS)

Ipatova, I.; Harrison, R. W.; Wady, P. T.; Shubeita, S. M.; Terentyev, D.; Donnelly, S. E.; Jimenez-Melero, E.

2018-04-01

We have performed proton irradiation of W and W-5wt.%Ta materials at 350 °C with a step-wise damage level increase up to 0.7 dpa and using two beam energies, namely 40 keV and 3 MeV, in order to probe the accumulation of radiation-induced lattice damage in these materials. Interstitial-type a/2 <111> dislocation loops are formed under irradiation, and their size increases in W-5Ta up to a loop width of 21 ± 4 nm at 0.3 dpa, where loop saturation takes place. In contrast, the loop length in W increases progressively up to 183 ± 50 nm at 0.7 dpa, whereas the loop width remains relatively constant at 29 ± 7 nm at >0.3 dpa, giving rise to dislocation strings. The dislocation loops and tangles are observed in both materials examined after a 3 MeV proton irradiation at 350 °C. Ta doping delays the evolution of radiation-induced dislocation structures in W, and can consequently impact the hydrogen isotope retention under plasma exposure.

Effect of orientation of prismatic dislocation loops on interaction with free surfaces in BCC iron

NASA Astrophysics Data System (ADS)

Fikar, Jan; Gröger, Roman; Schäublin, Robin

2017-12-01

The prismatic loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, shape, size, orientation and depth of the loop in the foil, they can escape to the free surface creating denuded loop-free zones and thus invalidating TEM observations. In our previous studies we described a simple general method to determine the critical depth and the critical stress to move prismatic dislocation loops. The critical depths can be further used to correct measurements of the loop density by TEM. Here, we use this procedure to compare 〈100〉 loops and 1/2 〈111〉 loops in body-centered cubic (BCC) iron. The influences of the interatomic potential and the loop orientation are studied in detail. The difference between interstitial and vacancy type loop is also investigated.

Cascade debris overlap mechanism of 〈100〉 dislocation loop formation in Fe and FeCr

NASA Astrophysics Data System (ADS)

Granberg, F.; Byggmästar, J.; Sand, A. E.; Nordlund, K.

2017-09-01

Two types of dislocation loops are observed in irradiated α-Fe, the 1/2〈111〉 loop and the 〈100〉 loop. Atomistic simulations consistently predict that only the energetically more favourable 1/2〈111〉 loops are formed directly in cascades, leaving the formation mechanism of 〈100〉 loops an unsolved question. We show how 〈100〉 loops can be formed when cascades overlap with random pre-existing primary radiation damage in Fe and FeCr. This indicates that there are no specific constraints involved in the formation of 〈100〉 loops, and can explain their common occurrence.

Probing the character of ultra-fast dislocations

DOE PAGES

Rudd, R. E.; Ruestes, C. J.; Bringa, E. M.; ...

2015-11-23

Plasticity is often controlled by dislocation motion, which was first measured for low pressure, low strain rate conditions decades ago. However, many applications require knowledge of dislocation motion at high stress conditions where the data are sparse, and come from indirect measurements dominated by the effect of dislocation density rather than velocity. Here we make predictions based on atomistic simulations that form the basis for a new approach to measure dislocation velocities directly at extreme conditions using three steps: create prismatic dislocation loops in a near-surface region using nanoindentation, drive the dislocations with a shockwave, and use electron microscopy tomore » determine how far the dislocations moved and thus their velocity at extreme stress and strain rate conditions. We report on atomistic simulations of tantalum that make detailed predictions of dislocation flow, and find that the approach is feasible and can uncover an exciting range of phenomena, such as transonic dislocations and a novel form of loop stretching. Furthermore, the simulated configuration enables a new class of experiments to probe average dislocation velocity at very high applied shear stress.« less

Microstructure evolution of recrystallized Zircaloy-4 under charged particles irradiation

NASA Astrophysics Data System (ADS)

Gaumé, M.; Onimus, F.; Dupuy, L.; Tissot, O.; Bachelet, C.; Mompiou, F.

2017-11-01

Recrystallized zirconium alloys are used as nuclear fuel cladding tubes of Pressurized Water Reactors. During operation, these alloys are submitted to fast neutron irradiation which leads to their in-reactor deformation and to a change of their mechanical properties. These phenomena are directly related to the microstructure evolution under irradiation and especially to the formation of -type dislocation loops. In the present work, the radiation damage evolution in recrystallized Zircaloy-4 has been studied using charged particles irradiation. The loop nucleation and growth kinetics, and also the helical climb of linear dislocations, were observed in-situ using a High Voltage Electron Microscope (HVEM) under 1 MeV electron irradiation at 673 and 723 K. In addition, 600 keV Zr+ ion irradiations were conducted at the same temperature. Transmission Electron Microscopy (TEM) characterizations have been performed after both types of irradiations, and show dislocation loops with a Burgers vector belonging to planes close to { 10 1 bar 0 } first order prismatic planes. The nature of the loops has been characterized. Only interstitial dislocation loops have been observed after ion irradiation at 723 K. However, after electron irradiation conducted at 673 and 723 K, both interstitial and vacancy loops were observed, the proportion of interstitial loops increasing as the temperature is increased. The loop growth kinetics analysis shows that as the temperature increases, the loop number density decreases and the loop growth rate tends to increase. An increase of the flux leads to an increase of the loop number density and a decrease of the loop growth rate. The results are compared to previous works and discussed in the light of point defects diffusion.

Contributions of Cu-rich clusters, dislocation loops and nanovoids to the irradiation-induced hardening of Cu-bearing low-Ni reactor pressure vessel steels

NASA Astrophysics Data System (ADS)

Bergner, F.; Gillemot, F.; Hernández-Mayoral, M.; Serrano, M.; Török, G.; Ulbricht, A.; Altstadt, E.

2015-06-01

Dislocation loops, nanovoids and Cu-rich clusters (CRPs) are known to represent obstacles for dislocation glide in neutron-irradiated reactor pressure vessel (RPV) steels, but a consistent experimental determination of the respective obstacle strengths is still missing. A set of Cu-bearing low-Ni RPV steels and model alloys was characterized by means of SANS and TEM in order to specify mean size and number density of loops, nanovoids and CRPs. The obstacle strengths of these families were estimated by solving an over-determined set of linear equations. We have found that nanovoids are stronger than loops and loops are stronger than CRPs. Nevertheless, CRPs contribute most to irradiation hardening because of their high number density. Nanovoids were only observed for neutron fluences beyond typical end-of-life conditions of RPVs. The estimates of the obstacle strength are critically compared with reported literature data.

Implementation of the nudged elastic band method in a dislocation dynamics formalism: Application to dislocation nucleation

NASA Astrophysics Data System (ADS)

Geslin, Pierre-Antoine; Gatti, Riccardo; Devincre, Benoit; Rodney, David

2017-11-01

We propose a framework to study thermally-activated processes in dislocation glide. This approach is based on an implementation of the nudged elastic band method in a nodal mesoscale dislocation dynamics formalism. Special care is paid to develop a variational formulation to ensure convergence to well-defined minimum energy paths. We also propose a methodology to rigorously parametrize the model on atomistic data, including elastic, core and stacking fault contributions. To assess the validity of the model, we investigate the homogeneous nucleation of partial dislocation loops in aluminum, recovering the activation energies and loop shapes obtained with atomistic calculations and extending these calculations to lower applied stresses. The present method is also applied to heterogeneous nucleation on spherical inclusions.

Modeling Plasticity of Ni3Al-Based L12 Intermetallic Single Crystals-I. Anomalous Temperature Dependence of the Flow Behavior (Preprint)

DTIC Science & Technology

2006-07-01

dislocation-loop expansion . The new model was used to simulate the thermally reversible flow behaviour for C-S type two-step deformation, and the results are...implemented into the finite element software ABAQUS through a User MATerial subroutine (UMAT). A tangent modulus method [48] was used for the time...locking under a dislocation loop- expansion configuration. This approach was motivated by modern understanding of dislocation mechanisms for Ni3Al

Three-dimensional interaction and movements of various dislocations in anisotropic bicrystals with semicoherent interfaces

NASA Astrophysics Data System (ADS)

Vattré, A.; Pan, E.

2018-07-01

Lattice dislocation interactions with semicoherent interfaces are investigated by means of anisotropic field solutions in metallic homo- and hetero-structures. The present framework is based on the mathematically elegant and computationally powerful Stroh formalism, combining further with the Fourier integral and series transforms, which cover different shapes and dimensions of various extrinsic and intrinsic dislocations. Two-dimensional equi-spaced arrays of straight lattice dislocations and finite arrangements of piled-up dislocations as well as any polygonal and elliptical dislocation loops in three dimensions are considered using a superposition scheme. Self, image and Peach-Koehler forces are derived to compute the equilibrium dislocation positions in pile-ups, including the internal structures and energetics of the interfacial dislocation networks. For illustration, the effects due to the elastic and misfit mismatches are discussed in the pure misfit Au/Cu and heterophase Cu/Nb systems, while discrepancies resulting from the approximation of isotropic elasticity are clearly exhibited. These numerical examples not only feature and enhance the existing works in anisotropic bimaterials, but also promote a novel opportunity of analyzing the equilibrium shapes of planar glide dislocation loops at nanoscale.

Studies of O18 impurity trapping at interstitial dislocation loops in ion implanted Fe (1 1 0) by ion channeling and ab initio calculations

NASA Astrophysics Data System (ADS)

Mathayan, Vairavel; Kothalamuthu, Saravanan; Gnanasekaran, Jaiganesh; Balakrishnan, Sundaravel; Panigrahi, Binaykumar

2018-01-01

The O18 and self ions are implanted at same depth in Fe (1 1 0) crystal and annealed to study the oxygen trapping under excess self interstitial defects. Rutherford backscattering spectrometry, nuclear reaction analysis and channeling measurements have been performed to determine the lattice site position of O18. The presence of dislocation loops is confirmed by energy-dependent dechanneling parameter measurements. From the tilt angular scans of Fe and O18 signals along 〈1 0 0〉, 〈1 1 0〉 axes, O18 is found to be displaced 0.2 Å from tetrahedral towards octahedral interstitial site in O18. Similar lattice site location of oxygen with the displacement of 0.37 Å is predicted by density functional theory calculations for the interaction of oxygen with 〈1 0 0〉 interstitial dislocation loop structure. Our results provide strong evidence on oxygen trapping at interstitial dislocation loops in the presence of excess interstitial defects in iron.

Quantifying the effect of hydrogen on dislocation dynamics: A three-dimensional discrete dislocation dynamics framework

NASA Astrophysics Data System (ADS)

Gu, Yejun; El-Awady, Jaafar A.

2018-03-01

We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated with the hydrogen-induced volume change is accounted for. The three-dimensional stress tensor induced by hydrogen concentration, which is in equilibrium with respect to the dislocation stress field, is derived using the Eshelby inclusion model, while the hydrogen bulk diffusion is treated as a continuum process. This newly developed framework is utilized to quantify the effect of different hydrogen concentrations on the dynamics of a glide dislocation in the absence of an applied stress field as well as on the spacing between dislocations in an array of parallel edge dislocations. A shielding effect is observed for materials having a large hydrogen diffusion coefficient, with the shield effect leading to the homogenization of the shrinkage process leading to the glide loop maintaining its circular shape, as well as resulting in a decrease in dislocation separation distances in the array of parallel edge dislocations. On the other hand, for materials having a small hydrogen diffusion coefficient, the high hydrogen concentrations around the edge characters of the dislocations act to pin them. Higher stresses are required to be able to unpin the dislocations from the hydrogen clouds surrounding them. Finally, this new framework can open the door for further large scale studies on the effect of hydrogen on the different aspects of dislocation-mediated plasticity in metals. With minor modifications of the current formulations, the framework can also be extended to account for general inclusion-induced stress field in discrete dislocation dynamics simulations.

Effect of irradiation on the microstructure and the mechanical properties of oxide dispersion strengthened low activation ferritic/martensitic steel

NASA Astrophysics Data System (ADS)

Ramar, A.; Baluc, N.; Schäublin, R.

2007-08-01

Ferritic/martensitic (F/M) steels show good resistance to swelling and low damage accumulation upon irradiation relative to stainless steels. 0.3 wt% yttria particles were added to the F/M steel EUROFER 97 to produce oxide dispersion strengthened (ODS) steel, to increase the operating temperature as well as mechanical strength. ODS EUROFER 97 was irradiated in the PIREX facility with 590 MeV protons to 0.3, 1 and 2 dpa at 40 °C. Microstructure of the irradiated samples is analyzed in the transmission electron microscope using bright field, dark field and weak beam conditions. The presence of voids and dislocation loops is observed for the higher doses, where as at low dose (0.3 dpa) only small defects with sizes of 1-3 nm are observed as black dots. The relationship between the defect density to dispersoids is measured and the Burgers' vector of dislocation loops is analyzed.

Illusory spirals and loops in crystal growth

PubMed Central

Shtukenberg, Alexander G.; Zhu, Zina; Bhandari, Misha; Song, Pengcheng; Kahr, Bart; Ward, Michael D.

2013-01-01

The theory of dislocation-controlled crystal growth identifies a continuous spiral step with an emergent lattice displacement on a crystal surface; a mechanistic corollary is that closely spaced, oppositely winding spirals merge to form concentric loops. In situ atomic force microscopy of step propagation on pathological l-cystine crystals did indeed show spirals and islands with step heights of one lattice displacement. We show by analysis of the rates of growth of smaller steps only one molecule high that the major morphological spirals and loops are actually consequences of the bunching of the smaller steps. The morphology of the bunched steps actually inverts the predictions of the theory: Spirals arise from pairs of dislocations, loops from single dislocations. Only through numerical simulation of the growth is it revealed how normal growth of anisotropic layers of molecules within the highly symmetrical crystals can conspire to create features in apparent violation of the classic theory. PMID:24101507

Strength of Dislocation Junctions in FCC-monocrystals with a [\\overline{1}11] Deformation Axis

NASA Astrophysics Data System (ADS)

Kurinnaya, R. I.; Zgolich, M. V.; Starenchenko, V. A.

2017-07-01

The paper examines all dislocation reactions implemented in FCC-monocrystals with axis deformation oriented in the [\\overline{1}11] direction. It identifies the fracture stresses of dislocation junctions depending on intersection geometry of the reacting dislocation loop segments. Estimates are produced for the full spectrum of reacting forest dislocations. The paper presents the statistical data of the research performed and identifies the share of long strong dislocation junctions capable of limiting the zone of dislocation shift.

Effect of post-irradiation annealing on the irradiated microstructure of neutron-irradiated 304L stainless steel

NASA Astrophysics Data System (ADS)

Jiao, Z.; Hesterberg, J.; Was, G. S.

2018-03-01

Post-irradiation annealing was performed on a 304L SS that was irradiated to 5.9 dpa in the Barsebäck 1 BWR reactor. Evolution of dislocation loops, radiation-induced solute clusters and radiation-induced segregation at the grain boundary was investigated following thermal annealing at 500 °C and 550 °C up to 20 h. Dislocation loops, Ni-Si and Al-Cu clusters, and enrichment of Ni, Si and depletion of Cr at the grain boundary were observed in the as-irradiated condition. Dislocation loop size did not change significantly after annealing at 550 °C for 5 h but the loop number density decreased considerably and loops mostly disappeared after annealing at 550 °C for 20 h. The average size of Ni-Si and Al-Cu clusters increased while the number density decreased with annealing. The increase in cluster size was due to diffusion of solutes rather than cluster coarsening. Significant volume fractions of Ni-Si and Al-Cu clusters still remained after annealing at 550 °C for 20 h. Substantial recovery of Cr and Ni at the grain boundary was observed after annealing at 550 °C for 5 h but neither Cr nor Ni was fully recovered after 20 h. Annihilation of dislocation loops, driven by the thermal vacancy concentration gradient caused by the strain field and stacking fault associated with the loops appeared to be faster than annihilation of solute clusters and recovery of Ni and Si at the grain boundary, both of which are driven by the solute concentration gradients.

Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

DOE PAGES

Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; ...

2016-06-15

Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. In this study, we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO 3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generatedmore » in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. In conclusion, this work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates.« less

Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

PubMed Central

Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; Kim, Yi-Yeoun; Schenk, Anna S.; Kulak, Alexander N.; Comyn, Timothy P.; Chammas, Oliver; Harder, Ross J.; Duffy, Dorothy M.; Robinson, Ian K.; Meldrum, Fiona C.

2016-01-01

Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. Here we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generated in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. This work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates. PMID:27302863

Effects of temperature on the irradiation responses of Al 0.1 CoCrFeNi high entropy alloy

DOE PAGES

Yang, Tengfei; Xia, Songqin; Guo, Wei; ...

2017-09-29

Structural damage and chemical segregation in Al 0.1CoCrFeNi high entropy alloy irradiated at elevated temperatures are studied using transmission electron microscopy (TEM) and atom probe tomography (APT). Irradiation-induced defects include dislocation loops, long dislocations and stacking-fault tetrahedra, but no voids can be observed. Furthermore, as irradiation temperature increases, defect density is decreased but defect size is increased, which is induced by increasing defect mobility. Finally, APT characterization reveals that ion irradiation at elevated temperatures can induce an enrichment of Ni and Co as well as a depletion of Fe and Cr at defect clusters, mainly including dislocation loops and longmore » dislocations.« less

Effects of temperature on the irradiation responses of Al 0.1 CoCrFeNi high entropy alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Tengfei; Xia, Songqin; Guo, Wei

Structural damage and chemical segregation in Al 0.1CoCrFeNi high entropy alloy irradiated at elevated temperatures are studied using transmission electron microscopy (TEM) and atom probe tomography (APT). Irradiation-induced defects include dislocation loops, long dislocations and stacking-fault tetrahedra, but no voids can be observed. Furthermore, as irradiation temperature increases, defect density is decreased but defect size is increased, which is induced by increasing defect mobility. Finally, APT characterization reveals that ion irradiation at elevated temperatures can induce an enrichment of Ni and Co as well as a depletion of Fe and Cr at defect clusters, mainly including dislocation loops and longmore » dislocations.« less

Ion-irradiation-induced microstructural modifications in ferritic/martensitic steel T91

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xiang; Miao, Yinbin; Li, Meimei

In this paper, in situ transmission electron microscopy investigations were carried out to study the microstructural evolution of ferritic/martensitic steel T91 under 1 MeV Krypton ion irradiation up to 4.2 x 10(15) ions/cm(2) at 573 K, 673 K, and 773 K. At 573 K, grown-in defects are strongly modified by black dot loops, and dislocation networks together with black-dot loops were observed after irradiation. At 673 K and 773 K, grown-in defects are only partially modified by dislocation loops; isolated loops and dislocation segments were commonly found after irradiation. Post irradiation examination indicates that at 4.2 x 1015 ions/cm(2), aboutmore » 51% of the loops were a(0)/2 < 111 > type for the 673 K irradiation, and the dominant loop type was a(0)< 100 > for the 773 K irradiation. Finally, a dispersed barrier hardening model was employed to estimate the change in yield strength, and the calculated ion data were found to follow the similar trend as the existing neutron data with an offset of 100-150 MPa. (C) 2017 Elsevier B.V. All rights reserved.« less

Defect structure of high temperature hydride vapor phase epitaxy-grown epitaxial (0 0 0 1) AlN/sapphire using growth mode modification process

NASA Astrophysics Data System (ADS)

Su, Xujun; Zhang, Jicai; Huang, Jun; Zhang, Jinping; Wang, Jianfeng; Xu, Ke

2017-06-01

Defect structures were investigated by transmission electron microscopy for AlN/sapphire (0 0 0 1) epilayers grown by high temperature hydride vapor phase epitaxy using a growth mode modification process. The defect structures, including threading dislocations, inversion domains, and voids, were analyzed by diffraction contrast, high-resolution imaging, and convergent beam diffraction. AlN film growth was initiated at 1450 °C with high V/III ratio for 8 min. This was followed by low V/III ratio growth for 12 min. The near-interfacial region shows a high density of threading dislocations and inversion domains. Most of these dislocations have Burgers vector b = 1/3〈1 1 2 0〉 and were reduced with the formation of dislocation loops. In the middle range 400 nm < h < 2 μm, dislocations gradually aggregated and reduced to ∼109 cm-2. The inversion domains have a shuttle-like shape with staggered boundaries that deviate by ∼ ±5° from the c axis. Above 2 μm thickness, the film consists of isolated threading dislocations with a total density of 8 × 108 cm-2. Most of threading dislocations are either pure edge or mixed dislocations. The threading dislocation reduction in these films is associated with dislocation loops formation and dislocation aggregation-interaction during island growth with high V/III ratio.

Reduced Moment-Based Models for Oxygen Precipitates and Dislocation Loops in Silicon

NASA Astrophysics Data System (ADS)

Trzynadlowski, Bart

The demand for ever smaller, higher-performance integrated circuits and more efficient, cost-effective solar cells continues to push the frontiers of process technology. Fabrication of silicon devices requires extremely precise control of impurities and crystallographic defects. Failure to do so not only reduces performance, efficiency, and yield, it threatens the very survival of commercial enterprises in today's fiercely competitive and price-sensitive global market. The presence of oxygen in silicon is an unavoidable consequence of the Czochralski process, which remains the most popular method for large-scale production of single-crystal silicon. Oxygen precipitates that form during thermal processing cause distortion of the surrounding silicon lattice and can lead to the formation of dislocation loops. Localized deformation caused by both of these defects introduces potential wells that trap diffusing impurities such as metal atoms, which is highly desirable if done far away from sensitive device regions. Unfortunately, dislocations also reduce the mechanical strength of silicon, which can cause wafer warpage and breakage. Engineers must negotiate this and other complex tradeoffs when designing fabrication processes. Accomplishing this in a complex, modern process involving a large number of thermal steps is impossible without the aid of computational models. In this dissertation, new models for oxygen precipitation and dislocation loop evolution are described. An oxygen model using kinetic rate equations to evolve the complete precipitate size distribution was developed first. This was then used to create a reduced model tracking only the moments of the size distribution. The moment-based model was found to run significantly faster than its full counterpart while accurately capturing the evolution of oxygen precipitates. The reduced model was fitted to experimental data and a sensitivity analysis was performed to assess the robustness of the results. Source code for both models is included. A moment-based model for dislocation loop formation from {311} defects in ion-implanted silicon was also developed and validated against experimental data. Ab initio density functional theory calculations of stacking faults and edge dislocations were performed to extract energies and elastic properties. This allowed the effect of applied stress on the evolution of {311} defects and dislocation loops to be investigated.

Complications after arthroscopic coracoclavicular reconstruction using a single adjustable-loop-length suspensory fixation device in acute acromioclavicular joint dislocation.

PubMed

Shin, Sang-Jin; Kim, Nam-Ki

2015-05-01

The purpose of this study was to evaluate clinical and radiological outcomes after arthroscopically assisted coracoclavicular (CC) fixation using a single adjustable-loop-length suspensory fixation device for acute acromioclavicular dislocation and to report intraoperative and postoperative complications. Eighteen consecutive patients with acute acromioclavicular dislocation underwent arthroscopically assisted CC fixation using a single TightRope (Arthrex, Naples, FL). Using the Rockwood classification, 3 patients had grade III dislocations, one patient had a grade IV dislocation, and 14 patients had grade V dislocations. The preoperative CC distance of the injured shoulder was 16.1 ± 2.7 mm (range, 11.2 to 21.0 mm), and it increased by 99% ± 36% (range, 17% to 153%) on average compared with the contralateral shoulder. The average CC distance was 10.5 ± 2.5 mm (range, 7.7 to 15.5 mm), and it increased by 30% ± 30% (range, -9.4% to 90%) at the final follow-up. Compared with immediate postoperative radiographs, the CC distance was maintained in 12 patients, increased between 50% and 100% in 4 patients, and increased more than 100% in 2 patients at final follow-up. However, there was no statistical difference in Constant scores between 6 patients with reduction loss (95.6 ± 4.5) and 12 patients with reduction maintenance (98.4 ± 2.5; P = .17). Perioperative complications occurred in 8 patients, including one case of acromioclavicular arthritis, one case of delayed distal clavicular fracture at the clavicular hole of the device, 3 cases of clavicular or coracoid button failures, and 3 cases of clavicular bony erosion. Satisfactory clinical outcomes were obtained after CC fixation using the single adjustable-loop-length suspensory fixation device for acute acromioclavicular joint dislocation. However, CC fixation failure of greater than 50% of the unaffected side in radiological examinations occurred in 33% of the patients within 3 months after the operation. Additionally, 8 patients (44%) had complications associated with the adjustable-loop-length suspensory fixation device and surgical technical problems. Despite acceptable shoulder function restoration, adequate care should be exercised in surgical treatment of acute acromioclavicular dislocation with a single adjustable-loop-length suspensory fixation device for optimal radiological outcomes. Level IV, therapeutic case series. Copyright © 2015 Arthroscopy Association of North America. Published by Elsevier Inc. All rights reserved.

Characterization of Electrically Active Defects in Si Using CCD Image Sensors

DTIC Science & Technology

1978-02-01

63 35 Dislocation Segments in CCD Imager . . . . . . . . . . . . . 64 36 422 Reflection Topograph of Dislocation Loop ir... Loops . . . . . 3 39 422 Reflection Topograph of Scratch on CCD Imager, . . . 69 40 Dark Current Display of a CCD Imager with 32 ms integration Time...made of each slice using the elon -asoorbio aold developer described in Appendix D. The inagers were then thinned using the procedure at Appendix taor

[Triple no loop Endobutton plate combined with Orthcord line for the treatment of acromioclavicular dislocation of Tossy type III].

PubMed

Xia, Ming-Hua; Xie, Shui-Hua; Wu, Jun; Zhang, Wen-Qing; Chen, Wei-Dong; He, Jian-Hua; Ding, Hao; Hu, Qian-Qin; Wang, Xiao-Peng

2016-07-25

To explore the clinical effects of the triple no loop Endobutton plate combined with Orthcord line in treating acromioclavicular dislocation of Tossy type III. Between February 2011 and September 2013, 36 patients with acromioclavicular dislocation of Tossy type III were treated with triple no loop Endobutton plate and Orthcord line. There were 21 males and 15 females, aged from 9 to 48 years old with an average of (26.41±14.05) years. Couse of disease was from 2 to 7 days in the patients. The patients had the clinical manifestations such as shoulder pain, extension limited, acromioclavicular tenderness, positive organ point sign. Clinical effects were assessed by acromioclavicular scoring system. Thirty six patients were followed up from 8 to 15 months with an average of (12.2±4.3) months. All incisions got primary healing. At the final follow up, all shoulder pain vanished, acromioclavicular joints without tenderness, negative organ point sign. No redislocation and steel plate loosening were found. According to the acromioclavicular scoring system, 31 cases obtained excellent results, 5 good. The method of triple no loop Endobutton plate combined with Orthcord line for acromioclavicular dislocation of Tossy type III has advantage of less risk and complication, good functional rehabilitation and is an ideal method.

Mobile application MDDCS for modeling the expansion dynamics of a dislocation loop in FCC metals

NASA Astrophysics Data System (ADS)

Kirilyuk, Vasiliy; Petelin, Alexander; Eliseev, Andrey

2017-11-01

A mobile version of the software package Dynamic Dislocation of Crystallographic Slip (MDDCS) designed for modeling the expansion dynamics of dislocation loops and formation of a crystallographic slip zone in FCC-metals is examined. The paper describes the possibilities for using MDDCS, the application interface, and the database scheme. The software has a simple and intuitive interface and does not require special training. The user can set the initial parameters of the experiment, carry out computational experiments, export parameters and results of the experiment into separate text files, and display the experiment results on the device screen.

Radiation resistance of oxide dispersion strengthened alloys: Perspectives from in situ observations and rate theory calculations

DOE PAGES

Liu, Xiang; Miao, Yinbin; Li, Meimei; ...

2018-04-15

Here, in situ ion irradiation and rate theory calculations were employed to directly compare the radiation resistance of an oxide dispersion strengthened alloy with that of a conventional ferritic/martensitic alloy. Compared to the rapid buildup of dislocation loops, loop growth, and formation of network dislocations in the conventional ferritic/martensitic alloy, the superior radiation resistance of the oxide dispersion strengthened alloy is manifested by its stable dislocation structure under the same irradiation conditions. Thus, the results are consistent with rate theory calculations, which show that high-density nanoparticles can significantly reduce freely migrating defects and suppress the buildup of clustered defects.

Radiation resistance of oxide dispersion strengthened alloys: Perspectives from in situ observations and rate theory calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xiang; Miao, Yinbin; Li, Meimei

Here, in situ ion irradiation and rate theory calculations were employed to directly compare the radiation resistance of an oxide dispersion strengthened alloy with that of a conventional ferritic/martensitic alloy. Compared to the rapid buildup of dislocation loops, loop growth, and formation of network dislocations in the conventional ferritic/martensitic alloy, the superior radiation resistance of the oxide dispersion strengthened alloy is manifested by its stable dislocation structure under the same irradiation conditions. Thus, the results are consistent with rate theory calculations, which show that high-density nanoparticles can significantly reduce freely migrating defects and suppress the buildup of clustered defects.

Proton-irradiation induced defects in modified 310S steels characterized with positron annihilation spectroscopy and transmission electron microscopy

NASA Astrophysics Data System (ADS)

Zhang, Weiping; Shen, Zhenyu; Tang, Rui; Jin, Suoxue; Song, Yaoxiang; Long, Yunxiang; Wei, Yaxia; Zhou, Xiong; Chen, Cheng; Guo, Liping

2018-07-01

An effective method to improve the irradiation resistance of austenitic stainless steels is adding oversized solutes into steels. In this work, the irradiation resistances of two type of modified 310S steels, in one of which Zr was added and in another Nb, Ta, and W were added, were investigated by proton irradiations at 563 K. Irradiation induced vacancy-type defects was characterized with positron annihilation spectroscopy (PAS), while dislocation loops and bubbles whose size are greater than 1 nm are characterized with transmission electron microscopy (TEM). It is found that the relative S parameter ΔS/S extracted from PAS is more effective than S parameter in evaluating the quantity of vacancy-type defects. It was revealed from ΔS/S that more vacancy-type defects produced in (Nb, Ta, W)-added steels than that in Zr-added steels, and this trend became more obvious with the dose increasing. S-W curves reveal that proton irradiation induced two kinds of vacancy-type defects, i.e. vacancy clusters and proton-vacancy clusters. TEM observation shows that the density of small bubbles induced by proton in (Nb, Ta, W)-added steels is much higher than that in Zr-added steels. Both 1/3 <1 1 1> and 1/2 <1 1 0> dislocation loops were observed with TEM in all of the specimens. The mean size and number density of dislocation loops in (Nb, Ta, W)-added steels are slightly larger than that in Zr-added steels, and increased with increasing irradiation dose. Both PAS and TEM observations shows that irradiation damage in Zr-added steels is less serious than that (Nb, Ta, W)-added steels, and the possible mechanisms are discussed through the enhancement of point defect recombination by oversized solute atoms.

Documentation of programs that compute 1) static tilts for a spatially variable slip distribution, and 2) quasi-static tilts produced by an expanding dislocation loop with a spatially variable slip distribution

USGS Publications Warehouse

McHugh, Stuart

1976-01-01

The material in this report is concerned with the effects of a vertically oriented rectangular dislocation loop on the tilts observed at the free surface of an elastic half-space. Part I examines the effect of a spatially variable static strike-slip distribution across the slip surface. The tilt components as a function of distance parallel, or perpendicular, to the strike of the slip surface are displayed for different slip-versus-distance profiles. Part II examines the effect of spatially and temporally variable slip distributions across the dislocation loop on the quasi-static tilts at the free surface of an elastic half space. The model discussed in part II may be used to generate theoretical tilt versus time curves produced by creep events.

The temperature dependence of heavy-ion damage in iron: A microstructural transition at elevated temperatures

NASA Astrophysics Data System (ADS)

Yao, Z.; Jenkins, M. L.; Hernández-Mayoral, M.; Kirk, M. A.

2010-12-01

A transition is reported in the dislocation microstructure of pure Fe produced by heavy-ion irradiation of thin foils, which took place between irradiation temperatures (T irr) of 300°C and 500°C. At T irr ≤ 400°C, the microstructure was dominated by round or irregular non-edge dislocation loops of interstitial nature and with Burgers vectors b = ½ ⟨111⟩, although interstitial ⟨100⟩ loops were also present; at 500°C only rectilinear pure-edge ⟨100⟩ loops occurred. At intermediate temperatures there was a gradual transition between the two types of microstructure. At temperatures just below 500°C, mobile ½⟨111⟩ loops were seen to be subsumed by sessile ⟨100⟩ loops. A possible explanation of these observations is given.

Proceedings of the International Symposium on the Structure and Properties of Dislocations in Semiconductors (6th) held in Oxford (England) 5-8 April 1989: Structure and Properties of Dislocations in Semiconductors 1989

DTIC Science & Technology

1989-04-08

now good experimental data on the effects of impurities, including locking by non-electrical xii Preface impurities, and the effect of electrically... locks which result from the interaction of the gliding dislocations. As a matter of fact, these dislocation configurations look similar to those...loop on the go° partial. Structure of grain boundaries and dislocations 3 2.2. Lomer-Cottrell lock : a/2>. Two 60’ dislocations can react and give

Atomistic simulation study of influence of Al2O3-Al interface on dislocation interaction and prismatic loop formation during nano-indentation on Al2O3-coated aluminum.

PubMed

Mishra, Srishti; Meraj, Md; Pal, Snehanshu

2018-06-19

A large-scale molecular dynamics (MD) simulation of nano-indentation was carried out to provide insight into the influence of the Al-Al 2 O 3 interface on dislocation evolution and deformation behavior of Al substrate coated with Al 2 O 3 thin film. Adaptive common neighbor analysis (a-CNA), centro-symmetry parameter (CSP) estimation, and dislocation extraction algorithm (DXA) were implemented to represent structural evolution during nano-indentation deformation. The absence of elastic regime was observed in the P-h curve for this simulated nano-indentation test of Al 2 O 3 thin film coated Al specimen. The displacement of oxygen atoms from Al 2 O 3 to Al partly through the interface greatly influences the plastic deformation behavior of the specimen during nano-indentation. Prismatic dislocation loops, which are formed due to pinning of Shockley partials (1/6 < 112>) by Stair-rod (1/6 < 110>) and Hirth dislocation (1/3 < 001>), were observed in all cases studied in this work. Pile-up of atoms was also observed and the extent of the pile-up was found to vary with the test temperature. A distorted stacking fault tetrahedron (SFT) is formed when a nano-indentation test is carried out at 100 K. The presence of a prismatic dislocation loop, SFT and dislocation forest caused strain hardening and, consequently, there is an increase in hardness as indentation depth increases. Graphical abstract Figure illustrates nano-indentation model set up along with load vs. depth curve and distorted stacking fault tetrahedron.

Effect of neutron irradiation on defect evolution in Ti 3SiC 2 and Ti 2AlC

DOE PAGES

Tallman, Darin J.; He, Lingfeng; Garcia-Diaz, Brenda L.; ...

2015-10-23

Here, we report on the characterization of defects formed in polycrystalline Ti 3SiC 2 and Ti 2AlC samples exposed to neutron irradiation – up to 0.1 displacements per atom (dpa) at 350 ± 40 °C or 695 ± 25 °C, and up to 0.4 dpa at 350 ± 40 °C. Black spots are observed in both Ti 3SiC 2 and Ti 2AlC after irradiation to both 0.1 and 0.4 dpa at 350 °C. After irradiation to 0.1 dpa at 695 °C, small basal dislocation loops, with a Burgers vector of b = 1/2 [0001] are observed in both materials. Atmore » 9 ± 3 and 10 ± 5 nm, the loop diameters in the Ti 3SiC 2 and Ti 2AlC samples, respectively, were comparable. At 1 × 10 23 loops/m 3, the dislocation loop density in Ti 2AlC was ≈1.5 orders of magnitude greater than in Ti 3SiC 2, at 3 x 10 21 loops/m3. After irradiation at 350 °C, extensive microcracking was observed in Ti 2AlC, but not in Ti 3SiC 2. The room temperature electrical resistivities increased as a function of neutron dose for all samples tested, and appear to saturate in the case of Ti 3SiC 2. The MAX phases are unequivocally more neutron radiation tolerant than the impurity phases TiC and Al 2O 3. Based on these results, Ti 3SiC 2 appears to be a more promising MAX phase candidate for high temperature nuclear applications than Ti 2AlC.« less

Electron microscopy observations of radiation damage in irradiated and annealed tungsten

NASA Astrophysics Data System (ADS)

Grzonka, J.; Ciupiński, Ł.; Smalc-Koziorowska, J.; Ogorodnikova, O. V.; Mayer, M.; Kurzydłowski, K. J.

2014-12-01

In the present work tungsten samples were irradiated with W6+ ions with a kinetic energy of 20 MeV in order to simulate radiation damage by fast neutrons. Two samples with cumulative damage of 2.3 and 6.36 displacements per atom were produced. The scanning transmission electron microscopy investigations were carried out in order to determine structure changes resulting from the irradiation. The evolution of the damage with post implantation annealing in the temperature range 673-1100 K was also assessed. Damage profiles were studied at cross-sections. Scanning transmission electron microscopy studies of the lamellae after annealing revealed aggregation of defects and rearrangement as well as partial healing of dislocations at higher temperatures. The results confirm the higher density of radiation-induced dislocations in the near surface area of the sample (1.8 * 1014 m-2) in comparison with a deeper damage area (1.5 * 1014 m-2). Significant decrease of dislocation density was observed after annealing with a concurrent growth of dislocation loops. Transmission electron microscopy analyses show that the dislocation loops are perfect dislocations with the Burgers vectors of b = ½[ 1 1 1].

Documentation of programs that compute 1) quasi-static tilts produced by an expanding dislocation loop in an elastic and viscoelastic material, and 2) surface shear stresses, strains, and shear displacements produced by screw dislocations in a vertical slab with modulus contrast

USGS Publications Warehouse

McHugh, Stuart

1976-01-01

The material in this report can be grouped into two categories: 1) programs that compute tilts produced by a vertically oriented expanding rectangular dislocation loop in an elastic or viscoelastic material and 2) programs that compute the shear stresses, strains, and shear displacements in a three-phase half-space (i.e. a half-space containing a vertical slab). Each section describes the relevant theory, and provides a detailed guide to the operation of the programs. A series of examples is provided at the end of each section.

Cyclic deformation leads to defect healing and strengthening of small-volume metal crystals

DOE PAGES

Wang, Zhang-Jie; Li, Qing-Jie; Cui, Yi-Nan; ...

2015-10-19

When microscopic and macroscopic specimens of metals are subjected to cyclic loading, the creation, interaction, and accumulation of defects lead to damage, cracking, and failure. We demonstrate that when aluminum single crystals of submicrometer dimensions are subjected to low-amplitude cyclic deformation at room temperature, the density of preexisting dislocation lines and loops can be dramatically reduced with virtually no change of the overall sample geometry and essentially no permanent plastic strain. Furthermore, this “cyclic healing” of the metal crystal leads to significant strengthening through dramatic reductions in dislocation density, in distinct contrast to conventional cyclic strain hardening mechanisms arising frommore » increases in dislocation density and interactions among defects in microcrystalline and macrocrystalline metals and alloys. Our real-time, in situ transmission electron microscopy observations of tensile tests reveal that pinned dislocation lines undergo shakedown during cyclic straining, with the extent of dislocation unpinning dependent on the amplitude, sequence, and number of strain cycles. Those unpinned mobile dislocations moving close enough to the free surface of the thin specimens as a result of such repeated straining are then further attracted to the surface by image forces that facilitate their egress from the crystal. Our results point to a versatile pathway for controlled mechanical annealing and defect engineering in submicrometer-sized metal crystals, thereby obviating the need for thermal annealing or significant plastic deformation that could cause change in shape and/or dimensions of the specimen.« less

Cyclic deformation leads to defect healing and strengthening of small-volume metal crystals

PubMed Central

Wang, Zhang-Jie; Li, Qing-Jie; Cui, Yi-Nan; Liu, Zhan-Li; Ma, Evan; Li, Ju; Sun, Jun; Zhuang, Zhuo; Dao, Ming; Shan, Zhi-Wei; Suresh, Subra

2015-01-01

When microscopic and macroscopic specimens of metals are subjected to cyclic loading, the creation, interaction, and accumulation of defects lead to damage, cracking, and failure. Here we demonstrate that when aluminum single crystals of submicrometer dimensions are subjected to low-amplitude cyclic deformation at room temperature, the density of preexisting dislocation lines and loops can be dramatically reduced with virtually no change of the overall sample geometry and essentially no permanent plastic strain. This “cyclic healing” of the metal crystal leads to significant strengthening through dramatic reductions in dislocation density, in distinct contrast to conventional cyclic strain hardening mechanisms arising from increases in dislocation density and interactions among defects in microcrystalline and macrocrystalline metals and alloys. Our real-time, in situ transmission electron microscopy observations of tensile tests reveal that pinned dislocation lines undergo shakedown during cyclic straining, with the extent of dislocation unpinning dependent on the amplitude, sequence, and number of strain cycles. Those unpinned mobile dislocations moving close enough to the free surface of the thin specimens as a result of such repeated straining are then further attracted to the surface by image forces that facilitate their egress from the crystal. These results point to a versatile pathway for controlled mechanical annealing and defect engineering in submicrometer-sized metal crystals, thereby obviating the need for thermal annealing or significant plastic deformation that could cause change in shape and/or dimensions of the specimen. PMID:26483463

Dislocation loop formation in model FeCrAl alloys after neutron irradiation below 1 dpa

DOE PAGES

Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar; ...

2017-08-01

FeCrAl alloys with varying compositions and microstructures are under consideration for accident-tolerant fuel cladding, but limited details exist on dislocation loop formation and growth for this class of alloys under neutron irradiation. Four model FeCrAl alloys with chromium contents ranging from 10.01 to 17.51 wt % and alunimum contents of 4.78 to 2.93 wt % were neutron irradiated to doses of 0.3–0.8 displacements per atom (dpa) at temperatures of 335–355°C. On-zone STEM imaging revealed a mixed population of black dots and larger dislocation loops with either a/2< 111 > or a< 100 > Burgers vectors. Weak composition dependencies were observedmore » and varied depending on whether the defect size, number density, or ratio of defect types was of interest. Here, the results were found to mirror those of previous studies on FeCrAl and FeCr alloys irradiated under similar conditions, although distinct differences exist.« less

Dislocation loop formation in model FeCrAl alloys after neutron irradiation below 1 dpa

NASA Astrophysics Data System (ADS)

Field, Kevin G.; Briggs, Samuel A.; Sridharan, Kumar; Yamamoto, Yukinori; Howard, Richard H.

2017-11-01

FeCrAl alloys with varying compositions and microstructures are under consideration for accident-tolerant fuel cladding, but limited details exist on dislocation loop formation and growth for this class of alloys under neutron irradiation. Four model FeCrAl alloys with chromium contents ranging from 10.01 to 17.51 wt % and aluminum contents of 4.78 to 2.93 wt % were neutron irradiated to doses of 0.3-0.8 displacements per atom (dpa) at temperatures of 335-355 °C. On-zone STEM imaging revealed a mixed population of black dots and larger dislocation loops with either a / 2 〈 111 〉 or a 〈 100 〉 Burgers vectors. Weak composition dependencies were observed and varied depending on whether the defect size, number density, or ratio of defect types was of interest. Results were found to mirror those of previous studies on FeCrAl and FeCr alloys irradiated under similar conditions, although distinct differences exist.

Studies of the Origins of Half-Loop Arrays and Interfacial Dislocations Observed in Homoepitaxial Layers of 4H-SiC

NASA Astrophysics Data System (ADS)

Wang, H.; Dudley, M.; Wu, F.; Yang, Y.; Raghothamachar, B.; Zhang, J.; Chung, G.; Thomas, B.; Sanchez, E. K.; Mueller, S. G.; Hansen, D.; Loboda, M. J.

2015-05-01

Synchrotron x-ray topography and KOH etching studies have been carried out on n-type 4H-SiC offcut substrates before and after homoepitaxial growth to study defect replication and strain relaxation processes and identify the nucleation sources of both interfacial dislocations (IDs) and half-loop arrays (HLAs), which are known to have a deleterious effect on device performance. Two cases are reported. In one, they nucleate from short segments of edge-oriented basal plane dislocations (BPDs) in the substrate which are drawn into the epilayer. In the other, they form from segments of half-loops of BPD that are attached to the substrate surface prior to growth which glide into the epilayer. The significance of these findings is: (1) It is demonstrated that it is not necessary for a BPD to intersect the substrate surface in order for it to be replicated into the homoepitaxial layer and take part in nucleation of IDs and HLAs; (2) The conversion of the surface intersections of a substrate BPD half-loop into threading edge dislocations (TEDs) does not prevent it from also becoming involved in nucleation of IDs and HLAs. This means that, while BPD to TED conversion can eliminate most of the BPD transfer into the epilayer, further mitigation may only be possible by continued efforts to reduce the BPD density in substrates by control of temperature-gradient- induced stresses during their physical vapor transport (PVT) growth.

“Conjugate Channeling” Effect in Dislocation Core Diffusion: Carbon Transport in Dislocated BCC Iron

PubMed Central

Ishii, Akio; Li, Ju; Ogata, Shigenobu

2013-01-01

Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction , but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. is a function of the Burgers vector b, but not , thus a dislocation loop possesses the same everywhere. Using molecular dynamics and accelerated dynamics simulations, we further show that such dislocation-core-coupled carbon diffusion in iron has temperature-dependent activation enthalpy like a fragile glass. The 71° mixed dislocation is the only case in which we see straightforward pipe diffusion that does not depend on dislocation mobility. PMID:23593255

"Conjugate channeling" effect in dislocation core diffusion: carbon transport in dislocated BCC iron.

PubMed

Ishii, Akio; Li, Ju; Ogata, Shigenobu

2013-01-01

Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction ξ, but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. c is a function of the Burgers vector b, but not ξ, thus a dislocation loop possesses the same everywhere. Using molecular dynamics and accelerated dynamics simulations, we further show that such dislocation-core-coupled carbon diffusion in iron has temperature-dependent activation enthalpy like a fragile glass. The 71° mixed dislocation is the only case in which we see straightforward pipe diffusion that does not depend on dislocation mobility.

Structural Rheology of the Smectic Phase

PubMed Central

Fujii, Shuji; Komura, Shigeyuki; Lu, Chun-Yi David

2014-01-01

In this review article, we discuss the rheological properties of the thermotropic smectic liquid crystal 8CB with focal conic domains (FCDs) from the viewpoint of structural rheology. It is known that the unbinding of the dislocation loops in the smectic phase drives the smectic-nematic transition. Here we discuss how the unbinding of the dislocation loops affects the evolution of the FCD size, linear and nonlinear rheological behaviors of the smectic phase. By studying the FCD formation from the perpendicularly oriented smectic layers, we also argue that dislocations play a key role in the structural development in layered systems. Furthermore, similarities in the rheological behavior between the FCDs in the smectic phase and the onion structures in the lyotropic lamellar phase suggest that these systems share a common physical origin for the elasticity. PMID:28788123

Effects of neutron irradiation of Ti 3SiC 2 and Ti 3AlC 2 in the 121–1085 °C temperature range

DOE PAGES

Tallman, Darin J.; He, Lingfeng; Gan, Jian; ...

2016-11-19

Herein we report on the formation of defects in response to neutron irradiation of polycrystalline Ti 3SiC 2 and Ti 3AlC 2 samples exposed to doses of 0.14±0.01, 1.6±0.1, and 3.4±0.1 displacements per atom (dpa) at irradiation temperatures of 121±12, 735±6 and 1085±68 °C. After irradiation to 0.14 dpa at 121 °C and 735 °C, black spots are observed in both Ti 3SiC 2 and Ti 3AlC 2. After irradiation to 1.6 and 3.4 dpa at 735 °C, basal dislocation loops, with a Burgers vector of b = ½ [0001] are observed in Ti 3SiC 2, with loop diameters ofmore » 21±6 and 30±8 nm for 1.6 dpa and 3.4 dpa, respectively. In Ti3AlC2, larger dislocation loops, 75±34 nm in diameter are observed after 3.4 dpa at 735 °C, in addition to stacking faults. Impurity particles of TiC, as well as stacking fault TiC platelets in the MAX phases, are seen to form extensive dislocation loops under all conditions. Voids are observed at grain boundaries and within stacking faults after 3.4 dpa irradiation, with extensive void formation in the TiC regions at 1085 °C. Remarkably, denuded zones on the order of 1 µm are observed in Ti 3SiC 2 after irradiation to 3.4 dpa at 735 °C. Small grains, 3-5 µm in diameter, are damage free after irradiation at 1085 °C at this dose. The presence of the A-layer in the MAX phases is seen to provide enhanced irradiation tolerance. Based on these results, and up to 3.41 dpa, Ti 3SiC 2 remains a promising candidate for high temperature nuclear applications.« less

Effects of neutron irradiation of Ti 3SiC 2 and Ti 3AlC 2 in the 121–1085 °C temperature range

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tallman, Darin J.; He, Lingfeng; Gan, Jian

Herein we report on the formation of defects in response to neutron irradiation of polycrystalline Ti 3SiC 2 and Ti 3AlC 2 samples exposed to doses of 0.14±0.01, 1.6±0.1, and 3.4±0.1 displacements per atom (dpa) at irradiation temperatures of 121±12, 735±6 and 1085±68 °C. After irradiation to 0.14 dpa at 121 °C and 735 °C, black spots are observed in both Ti 3SiC 2 and Ti 3AlC 2. After irradiation to 1.6 and 3.4 dpa at 735 °C, basal dislocation loops, with a Burgers vector of b = ½ [0001] are observed in Ti 3SiC 2, with loop diameters ofmore » 21±6 and 30±8 nm for 1.6 dpa and 3.4 dpa, respectively. In Ti3AlC2, larger dislocation loops, 75±34 nm in diameter are observed after 3.4 dpa at 735 °C, in addition to stacking faults. Impurity particles of TiC, as well as stacking fault TiC platelets in the MAX phases, are seen to form extensive dislocation loops under all conditions. Voids are observed at grain boundaries and within stacking faults after 3.4 dpa irradiation, with extensive void formation in the TiC regions at 1085 °C. Remarkably, denuded zones on the order of 1 µm are observed in Ti 3SiC 2 after irradiation to 3.4 dpa at 735 °C. Small grains, 3-5 µm in diameter, are damage free after irradiation at 1085 °C at this dose. The presence of the A-layer in the MAX phases is seen to provide enhanced irradiation tolerance. Based on these results, and up to 3.41 dpa, Ti 3SiC 2 remains a promising candidate for high temperature nuclear applications.« less

Hardening Mechanisms of Silicon Nanospheres: A Molecular Dynamics Study

DTIC Science & Technology

2011-05-01

in single oxide system 111 Figure 5.9 Dislocation motion in double oxide systems 112 x Figure 5.10 Dislocation response to incremental...addressed as no single dislocation loops were ever separated and no diffraction peaks indicative of the -Sn phase were observed. The load vs. displacement...as the diamond cubic structure has angle dependent covalent bonds. Therefore, other potentials have been 20 developed that model the

Defect evolution in a Nisbnd Mosbnd Crsbnd Fe alloy subjected to high-dose Kr ion irradiation at elevated temperature

NASA Astrophysics Data System (ADS)

de los Reyes, Massey; Voskoboinikov, Roman; Kirk, Marquis A.; Huang, Hefei; Lumpkin, Greg; Bhattacharyya, Dhriti

2016-06-01

A candidate Nisbnd Mosbnd Crsbnd Fe alloy (GH3535) for application as a structural material in a molten salt nuclear reactor was irradiated with 1 MeV Kr2+ ions (723 K, max dose of 100 dpa) at the IVEM-Tandem facility. The evolution of defects like dislocation loops and vacancy- and self-interstitial clusters was examined in-situ. For obtaining a deeper insight into the true nature of these defects, the irradiated sample was further analysed under a TEM post-facto. The results show that there is a range of different types of defects formed under irradiation. Interaction of radiation defects with each other and with pre-existing defects, e.g., linear dislocations, leads to the formation of complex microstructures. Molecular dynamics simulations used to obtain a greater understanding of these defect transformations showed that the interaction between linear dislocations and radiation induced dislocation loops could form faulted structures that explain the fringed contrast of these defects observed in TEM.

Molecular dynamics study of the interaction between nanoscale interstitial dislocation loops and grain boundaries in BCC iron

NASA Astrophysics Data System (ADS)

Gao, N.; Perez, D.; Lu, G. H.; Wang, Z. G.

2018-01-01

Atomic simulations are used to investigate the interaction between nanoscale interstitial dislocation loops and grain boundaries (GBs), the subsequent evolution of the GBs' structures, and the resulting impact on mechanical properties, in BCC iron. The interaction between loops and GBs - Σ 3 { 111 } and Σ 3 { 112 } - is affected by the angle (θ) between the Burgers vector and the normal to the GB plane, as well as by the distribution of free volume (FV) and stress. Loops can be totally absorbed by Σ 3 { 111 } boundaries, while the interaction with Σ 3 { 112 } boundaries is found to change the Burgers vector and habit plane after absorption, but to otherwise leave the loop intact, resulting in selective absorption. When θ =90o , no absorption occurs in Σ 3 { 112 } . The stress accumulation induced by the absorption affects the local mechanical properties of GBs. In nanocrystalline iron sample, a similar phenomenon is also observed, resulting in rearrangement of GBs and grain growth.

FIBER AND INTEGRATED OPTICS. OTHER TOPICS IN QUANTUM ELECTRONICS: Laser generation of dislocations and mechanism of anisotropic melting of semiconductor surfaces

NASA Astrophysics Data System (ADS)

Volodin, B. L.; Emel'yanov, Vladimir I.

1990-05-01

An analysis is made of a vacancy-deformation mechanism of generation of dislocations by laser radiation involving condensation of laser-induced vacancies when the vacancy concentration exceeds a certain critical value. The theory can be used to estimate the radius of the resultant dislocation loops and their density. It is used to interpret anisotropic laser melting of semiconductor surfaces.

Dislocation loop formation by swift heavy ion irradiation of metals.

PubMed

Khara, Galvin S; Murphy, Samuel T; Duffy, Dorothy M

2017-07-19

A coupled two-temperature, molecular dynamics methodology is used to simulate the structural evolution of bcc metals (Fe and W) and fcc metals (Cu and Ni) following irradiation by swift heavy ions. Electronic temperature dependent electronic specific heat capacities and electron-phonon coupling strengths are used to capture the full effects of the variation in the electronic density of states. Tungsten is found to be significantly more resistant to damage than iron, due both to the higher melting temperature and the higher thermal conductivity. Very interesting defect structures, quite different from defects formed in cascades, are found to be created by swift heavy ion irradiation in the bcc metals. Isolated vacancies form a halo around elongated interstitial dislocation loops that are oriented along the ion path. Such configurations are formed by rapid recrystallization of the molten cylindrical region that is created by the energetic ion. Vacancies are created at the recrystallization front, resulting in excess atoms at the core which form interstitial dislocation loops on completion of crystallization. These unique defect structures could, potentially, be used to create metal films with superior mechanical properties and interesting nanostructures.

Dislocation loop formation by swift heavy ion irradiation of metals

NASA Astrophysics Data System (ADS)

Khara, Galvin S.; Murphy, Samuel T.; Duffy, Dorothy M.

2017-07-01

A coupled two-temperature, molecular dynamics methodology is used to simulate the structural evolution of bcc metals (Fe and W) and fcc metals (Cu and Ni) following irradiation by swift heavy ions. Electronic temperature dependent electronic specific heat capacities and electron-phonon coupling strengths are used to capture the full effects of the variation in the electronic density of states. Tungsten is found to be significantly more resistant to damage than iron, due both to the higher melting temperature and the higher thermal conductivity. Very interesting defect structures, quite different from defects formed in cascades, are found to be created by swift heavy ion irradiation in the bcc metals. Isolated vacancies form a halo around elongated interstitial dislocation loops that are oriented along the ion path. Such configurations are formed by rapid recrystallization of the molten cylindrical region that is created by the energetic ion. Vacancies are created at the recrystallization front, resulting in excess atoms at the core which form interstitial dislocation loops on completion of crystallization. These unique defect structures could, potentially, be used to create metal films with superior mechanical properties and interesting nanostructures.

In Situ Deformation of Olivine in the Transmission Electron Microscope: from Dislocation Velocity Measurements to Stress-Strain Curves

NASA Astrophysics Data System (ADS)

Bollinger, C.; Idrissi, H.; Boioli, F.; Cordier, P.

2015-12-01

There is a growing consensus to recognize that rheological law established for olivine at high-temperature (ca. >1000°C) fail when extrapolated to low temperatures relevant for the lithospheric mantle. Hence it appears necessary to fit rheological laws against data at low temperatures where olivine tends to become more and more brittle. The usual approach consists in applying confining pressure to inhibit brittleness. Here we propose an innovative approach based on the use of very small samples and numerical modelling. New commercial in situ TEM nanotensile testing equipment recently developed by Hysitron.Inc is combined with weak-beam dark-field TEM diffraction contrast imaging in order to obtain information on the elementary mechanisms controlling the plasticity of olivine: namely glide of [001] screw dislocations. The olivine tensile beams dedicated for in situ TEM nanomechanical testing were produced using microfabrication techniques based on MEMS-type procedures. The testing geometry was designed as to induce maximum resolved shear stresses on the [001](110) slip system. Under tensile loads between 2 and 3 GPa, ductile behaviour was reached with the development and propagation of dislocation loops across the sample allowing to measure the velocity of screw and non-screw dislocations as a function of stress. This information is introduced into a numerical model involving Dislocation Dynamics in order to obtain the stress-strain curves describing the mechanical response of olivine single crystals deformed in tension at room temperature.

Interfacial dislocations in (111) oriented (Ba 0.7Sr 0.3)TiO 3 films on SrTiO 3 single crystal

DOE PAGES

Shen, Xuan; Yamada, Tomoaki; Lin, Ruoqian; ...

2015-10-08

In this study, we have investigated the interfacial structure of epitaxial (Ba,Sr)TiO 3 films grown on (111)-oriented SrTiO 3 single-crystal substrates using transmission electron microscopy (TEM) techniques. Compared with the (100) epitaxial perovskite films, we observe dominant dislocation half-loop with Burgers vectors of a<110> comprised of a misfit dislocation along <112>, and threading dislocations along <110> or <100>. The misfit dislocation with Burgers vector of a <110> can dissociate into two ½ a <110> partial dislocations and one stacking fault. We found the dislocation reactions occur not only between misfit dislocations, but also between threading dislocations. Via three-dimensional electron tomography,more » we retrieved the configurations of the threading dislocation reactions. The reactions between threading dislocations lead to a more efficient strain relaxation than do the misfit dislocations alone in the near-interface region of the (111)-oriented (Ba 0.7Sr 0.3)TiO 3 films.« less

Dislocation Multiplication by Single Cross Slip for FCC at Submicron Scales

NASA Astrophysics Data System (ADS)

Cui, Yi-Nan; Liu, Zhan-Li; Zhuang, Zhuo

2013-04-01

The operation mechanism of single cross slip multiplication (SCSM) is investigated by studying the response of one dislocation loop expanding in face-centered-cubic (FCC) single crystal using three-dimensional discrete dislocation dynamic (3D-DDD) simulation. The results show that SCSM can trigger highly correlated dislocation generation in a short time, which may shed some light on understanding the large strain burst observed experimentally. Furthermore, we find that there is a critical stress and material size for the operation of SCSM, which agrees with that required to trigger large strain burst in the compression tests of FCC micropillars.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Setyawan, Wahyu; Nandipati, Giridhar; Kurtz, Richard J.

The stability of tungsten self-interstitial atom (SIA) clusters is studied using first-principles methods. Clusters from one to seven SIAs are systematically explored from 1264 unique configurations. Finite-size effect of the simulation cell is corrected based on the scaling of formation energy versus inverse volume cell. Furthermore, the accuracy of the calculations is improved by treating the 5p semicore states as valence states. Configurations of the three most stable clusters in each cluster size n are presented, which consist of parallel [111] dumbbells. The evolution of these clusters leading to small dislocation loops is discussed. The binding energy of size-n clustersmore » is analyzed relative to an n → (n-1) + 1 dissociation and is shown to increase with size. Extrapolation for n > 7 is presented using a dislocation loop model. In addition, the interaction of these clusters with a substitutional Re, Os, or Ta solute is explored by replacing one of the dumbbells with the solute. Re and Os strongly attract these clusters, but Ta strongly repels. The strongest interaction is found when the solute is located on the periphery of the cluster rather than in the middle. The magnitude of this interaction decreases with cluster size. Empirical fits to describe the trend of the solute binding energy are presented.« less

Proton Irradiation Induced Effects in Titanium Carbide and Titanium Nitride: An Evaluation of Microstructures and Mechanical Properties

NASA Astrophysics Data System (ADS)

Dickerson, Clayton A.

The materials TiC and TiN have been identified as potential candidate materials for advanced coated nuclear fuel components for the gas-cooled fast reactor (GFR). While a number of their thermal and mechanical properties have been studied, little is known about how these ceramics respond to particle irradiation. The goal of this study was to investigate the radiation effects in TiC and TiN by analyzing the irradiated microstructures and mechanical properties. Irradiations of TiC and TiN were conducted with 2.6 MeV protons at the University of Wisconsin -- Madison to simulate proposed conditions expected in a reactor. Each material was subjected to three incident proton fluences resulting in doses of ˜0.2 dpa to ˜1 dpa at three temperatures, 600°C, 800°C, and 900°C. Post irradiation examination included microstructural analysis via TEM, lattice parameter determinations with XRD, and mechanical property measurements with micro indentation hardness and fracture toughness tests. The predominant irradiation induced aggregate defects found by high resolution TEM and diffraction contrast TEM in both irradiated TiC and TiN were interstitial faulted dislocation loops. Only circular loops were identified in TiC while both circular and triangular loops were present in TiN. The influences on the microstructural evolution from a high inherent density of dislocations and high porosity were also determined. The strains resulting from the development of the defective microstructures were measured with XRD and shown to be highly dependent on the density of dislocation loops. Maximum strains for the irradiated samples were on the order of 0.5%. Measurements of the fracture toughness of Tic samples were made by ion milling the surface of the samples to create micro cantilever beams which were subsequently fractured by nano indentation. The formation of high densities of dislocation loops in the irradiated samples was found to significantly decrease the material's fracture toughness.

Nanogeochronology of discordant zircon measured by atom probe microscopy of Pb-enriched dislocation loops

PubMed Central

Peterman, Emily M.; Reddy, Steven M.; Saxey, David W.; Snoeyenbos, David R.; Rickard, William D. A.; Fougerouse, Denis; Kylander-Clark, Andrew R. C.

2016-01-01

Isotopic discordance is a common feature in zircon that can lead to an erroneous age determination, and it is attributed to the mobilization and escape of radiogenic Pb during its post-crystallization geological evolution. The degree of isotopic discordance measured at analytical scales of ~10 μm often differs among adjacent analysis locations, indicating heterogeneous distributions of Pb at shorter length scales. We use atom probe microscopy to establish the nature of these sites and the mechanisms by which they form. We show that the nanoscale distribution of Pb in a ~2.1 billion year old discordant zircon that was metamorphosed c. 150 million years ago is defined by two distinct Pb reservoirs. Despite overall Pb loss during peak metamorphic conditions, the atom probe data indicate that a component of radiogenic Pb was trapped in 10-nm dislocation loops that formed during the annealing of radiation damage associated with the metamorphic event. A second Pb component, found outside the dislocation loops, represents homogeneous accumulation of radiogenic Pb in the zircon matrix after metamorphism. The 207Pb/206Pb ratios measured from eight dislocation loops are equivalent within uncertainty and yield an age consistent with the original crystallization age of the zircon, as determined by laser ablation spot analysis. Our results provide a specific mechanism for the trapping and retention of radiogenic Pb during metamorphism and confirm that isotopic discordance in this zircon is characterized by discrete nanoscale reservoirs of Pb that record different isotopic compositions and yield age data consistent with distinct geological events. These data may provide a framework for interpreting discordance in zircon as the heterogeneous distribution of discrete radiogenic Pb populations, each yielding geologically meaningful ages. PMID:27617295

Self-ion emulation of high dose neutron irradiated microstructure in stainless steels

NASA Astrophysics Data System (ADS)

Jiao, Z.; Michalicka, J.; Was, G. S.

2018-04-01

Solution-annealed 304L stainless steel (SS) was irradiated to 130 dpa at 380 °C, and to 15 dpa at 500 °C and 600 °C, and cold-worked 316 SS (CW 316 SS) was irradiated to 130 dpa at 380 °C using 5 MeV Fe++/Ni++ to produce microstructures and radiation-induced segregation (RIS) for comparison with that from neutron irradiation at 320 °C to 46 dpa in the BOR60 reactor. For the 304L SS alloy, self-ion irradiation at 380 °C produced a dislocation loop microstructure that was comparable to that by neutron irradiation. No voids were observed in either the 380 °C self-ion irradiation or the neutron irradiation conditions. Irradiation at 600 °C produced the best match to radiation-induced segregation of Cr and Ni with the neutron irradiation, consistent with the prediction of a large temperature shift by Mansur's invariant relations for RIS. For the CW 316 SS alloy irradiated to 130 dpa at 380 °C, both the irradiated microstructure (dislocation loops, precipitates and voids) and RIS reasonably matched the neutron-irradiated sample. The smaller temperature shift for RIS in CW 316 SS was likely due to the high sink (dislocation) density induced by the cold work. A single self-ion irradiation condition at a dose rate ∼1000× that in reactor does not match both dislocation loops and RIS in solution-annealed 304L SS. However, a single irradiation temperature produced a reasonable match with both the dislocation/precipitate microstructure and RIS in CW 316 SS, indicating that sink density is a critical factor in determining the temperature shift for self-ion irradiations.

Alternate approach for calculating hardness based on residual indentation depth: Comparison with experiments

NASA Astrophysics Data System (ADS)

Ananthakrishna, G.; K, Srikanth

2018-03-01

It is well known that plastic deformation is a highly nonlinear dissipative irreversible phenomenon of considerable complexity. As a consequence, little progress has been made in modeling some well-known size-dependent properties of plastic deformation, for instance, calculating hardness as a function of indentation depth independently. Here, we devise a method of calculating hardness by calculating the residual indentation depth and then calculate the hardness as the ratio of the load to the residual imprint area. Recognizing the fact that dislocations are the basic defects controlling the plastic component of the indentation depth, we set up a system of coupled nonlinear time evolution equations for the mobile, forest, and geometrically necessary dislocation densities. Within our approach, we consider the geometrically necessary dislocations to be immobile since they contribute to additional hardness. The model includes dislocation multiplication, storage, and recovery mechanisms. The growth of the geometrically necessary dislocation density is controlled by the number of loops that can be activated under the contact area and the mean strain gradient. The equations are then coupled to the load rate equation. Our approach has the ability to adopt experimental parameters such as the indentation rates, the geometrical parameters defining the Berkovich indenter, including the nominal tip radius. The residual indentation depth is obtained by integrating the Orowan expression for the plastic strain rate, which is then used to calculate the hardness. Consistent with the experimental observations, the increasing hardness with decreasing indentation depth in our model arises from limited dislocation sources at small indentation depths and therefore avoids divergence in the limit of small depths reported in the Nix-Gao model. We demonstrate that for a range of parameter values that physically represent different materials, the model predicts the three characteristic features of hardness, namely, increase in the hardness with decreasing indentation depth, and the linear relation between the square of the hardness and the inverse of the indentation depth, for all but 150 nm, deviating for smaller depths. In addition, we also show that it is straightforward to obtain optimized parameter values that give good fit to the hardness data for polycrystalline cold worked copper and single crystals of silver.

Deformation mechanism study of a hot rolled Zr-2.5Nb alloy by transmission electron microscopy. II. In situ transmission electron microscopy study of deformation mechanism change of a Zr-2.5Nb alloy upon heavy ion irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Fei; Daymond, Mark R., E-mail: mark.daymond@queensu.ca; Yao, Zhongwen

2015-03-14

The effect of heavy-ion irradiation on deformation mechanisms of a Zr-2.5Nb alloy was investigated by using the in situ transmission electron microscopy deformation technique. The gliding behavior of prismatic 〈a〉 dislocations has been dynamically observed before and after irradiation at room temperature and 300 °C. Irradiation induced loops were shown to strongly pin the gliding dislocations. Unpinning occurred while loops were incorporated into or eliminated by 〈a〉 dislocations. In the irradiated sample, loop depleted areas with a boundary parallel to the basal plane trace were found by post-mortem observation after room temperature deformation, supporting the possibility of basal channel formation inmore » bulk neutron irradiated samples. Strong activity of pyramidal slip was also observed at both temperatures, which might be another important mechanism to induce plastic instability in irradiated zirconium alloys. Finally, (011{sup ¯}1)〈01{sup ¯}12〉 twinning was identified in the irradiated sample deformed at 300 °C.« less

Deformation mechanism study of a hot rolled Zr-2.5Nb alloy by transmission electron microscopy. II. In situ transmission electron microscopy study of deformation mechanism change of a Zr-2.5Nb alloy upon heavy ion irradiation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Fei; Daymond, Mark R.; Yao, Zhongwen

2015-03-14

The effect of heavy-ion irradiation on deformation mechanisms of a Zr-2.5Nb alloy was investigated by using the in situ transmission electron microscopy deformation technique. The gliding behavior of prismatic < a > dislocations has been dynamically observed before and after irradiation at room temperature and 300 degrees C. Irradiation induced loops were shown to strongly pin the gliding dislocations. Unpinning occurred while loops were incorporated into or eliminated by < a > dislocations. In the irradiated sample, loop depleted areas with a boundary parallel to the basal plane trace were found by post-mortem observation after room temperature deformation, supporting themore » possibility of basal channel formation in bulk neutron irradiated samples. Strong activity of pyramidal slip was also observed at both temperatures, which might be another important mechanism to induce plastic instability in irradiated zirconium alloys. Finally, {01 (1) over bar1}< 0 (1) over bar 12 > twinning was identified in the irradiated sample deformed at 300 degrees C.« less

Morphology of single Shockley-type stacking faults generated by recombination enhanced dislocation glide in 4H-SiC

NASA Astrophysics Data System (ADS)

Matsuhata, Hirofumi; Sekiguchi, Takashi

2018-04-01

Morphology of single Shockley-type stacking faults (SFs) generated by recombination enhanced dislocation glide (REDG) in 4H-SiC are discussed and analysed. A complete set of the 12 different dissociated states of basal-plane dislocation loops is obtained using the crystallographic space group operations. From this set, six different double rhombic-shaped SFs are derived. These tables indicate the rules that connect shapes of SFs with the locations of partial dislocations having different core structures, the positions of slip planes in a unit cell, and the Burgers vectors of partial dislocations. We applied these tables for the analysis of SFs generated by the REDG effect reported in the past articles. Shapes, growing process of SFs and perfect dislocations for origins of SFs were well analysed systematically.

Effects of neutron irradiation of Ti3SiC2 and Ti3AlC2 in the 121-1085 °C temperature range

NASA Astrophysics Data System (ADS)

Tallman, Darin J.; He, Lingfeng; Gan, Jian; Caspi, El'ad N.; Hoffman, Elizabeth N.; Barsoum, Michel W.

2017-02-01

Herein we report on the formation of defects in response to neutron irradiation of polycrystalline Ti3SiC2 and Ti3AlC2 samples exposed to total fluences of ≈6 × 1020 n/m2, 5 × 1021 n/m2 and 1.7 × 1022 n/m2 at irradiation temperatures of 121(12), 735(6) and 1085(68)°C. These fluences correspond to 0.14, 1.6 and 3.4 dpa, respectively. After irradiation to 0.14 dpa at 121 °C and 735 °C, black spots are observed via transmission electron microscopy in both Ti3SiC2 and Ti3AlC2. After irradiation to 1.6 and 3.4 dpa at 735 °C, basal dislocation loops, with a Burgers vector of b = ½ [0001] are observed in Ti3SiC2, with loop diameters of 21(6) and 30(8) nm after 1.6 dpa and 3.4 dpa, respectively. In Ti3AlC2, larger dislocation loops, 75(34) nm in diameter are observed after 3.4 dpa at 735 °C, in addition to stacking faults. Impurity particles of TiC, as well as stacking fault TiC platelets in the MAX phases, are seen to form extensive dislocation loops under all conditions. Cavities were observed at grain boundaries and within stacking faults after 3.4 dpa irradiation, with extensive cavity formation in the TiC regions at 1085 °C. Remarkably, denuded zones on the order of 1 μm are observed in Ti3SiC2 after irradiation to 3.4 dpa at 735 °C. Small grains, 3-5 μm in diameter, are damage free after irradiation at 1085 °C at this dose. The results shown herein confirm once again that the presence of the A-layers in the MAX phases considerably enhance their irradiation tolerance. Based on these results, and up to 3.4 dpa, Ti3SiC2 remains a promising candidate for high temperature nuclear applications as long as the temperature remains >700 °C.

Characterisation of radiation damage in W and W-based alloys from 2MeV self-ion near-bulk implantations

DOE PAGES

Yi, Xiaoou; Culham Science Centre, Abingdon; Jenkins, Michael L.; ...

2015-04-21

The displacement damage induced in bulk W and W-5 wt.% Re and W-5 wt.% Ta alloys by 2 MeV W + irradiation to doses 3.3×10 17 - 2.5×10 19 W +/m 2 at temperatures ranging from 300 to750°C has been characterized by transmission electron microscopy. An automated sizing and counting approach based on Image J has been proposed and performed for all irradiation data. In all cases the damage comprised dislocation loops, mostly of interstitial type, with Burgers vectors b = ½<111> (> 60%) and b = <100>. The diameters of loops did not exceed 20 nm, with the majoritymore » being ≤ 6 nm. The loop number density varied between 10 22 and 10 23 loops/m 3 . With increasing irradiation temperature, the loop size distributions shifted towards larger sizes, and there was a substantial decrease in loop number densities. The damage microstructure was less sensitive to dose than to temperature. Under the same irradiation conditions, loop number densities in the alloys were higher than in pure W but loops were smaller. In grains with normals close to z = <001>, loop strings developed in W at temperatures ≥ 500°C and doses ≥ 1.2 dpa, but such strings were not observed in the W-Re or W-Ta alloys. However, in other grain orientations complex structures appeared in all materials and dense dislocation networks formed at higher doses.« less

Forecasting Low-Cycle Fatigue Performance of Twinning-Induced Plasticity Steels: Difficulty and Attempt

NASA Astrophysics Data System (ADS)

Shao, C. W.; Zhang, P.; Zhang, Z. J.; Liu, R.; Zhang, Z. F.

2017-12-01

We find the existing empirical relations based on monotonic tensile properties and/or hardness cannot satisfactorily predict the low-cycle fatigue (LCF) performance of materials, especially for twinning-induced plasticity (TWIP) steels. Given this, we first identified the different deformation mechanisms under monotonic and cyclic deformation after a comprehensive study of stress-strain behaviors and microstructure evolutions for Fe-Mn-C alloys during tension and LCF, respectively. It is found that the good tensile properties of TWIP steel mainly originate from the large activation of multiple twinning systems, which may be attributed to the grain rotation during tensile deformation; while its LCF performance depends more on the dislocation slip mode, in addition to its strength and plasticity. Based on this, we further investigate the essential relations between microscopic damage mechanism (dislocation-dislocation interaction) and cyclic stress response, and propose a hysteresis loop model based on dislocation annihilation theory, trying to quickly assess the LCF resistance of Fe-Mn-C steels as well as other engineering materials. It is suggested that the hysteresis loop and its evolution can provide significant information on cyclic deformation behavior, e.g., (point) defect multiplication and vacancy aggregation, which may help estimate the LCF properties.

Damage-tolerant nanotwinned metals with nanovoids under radiation environments

PubMed Central

Chen, Y.; Yu, K Y.; Liu, Y.; Shao, S.; Wang, H.; Kirk, M. A.; Wang, J.; Zhang, X.

2015-01-01

Material performance in extreme radiation environments is central to the design of future nuclear reactors. Radiation induces significant damage in the form of dislocation loops and voids in irradiated materials, and continuous radiation often leads to void growth and subsequent void swelling in metals with low stacking fault energy. Here we show that by using in situ heavy ion irradiation in a transmission electron microscope, pre-introduced nanovoids in nanotwinned Cu efficiently absorb radiation-induced defects accompanied by gradual elimination of nanovoids, enhancing radiation tolerance of Cu. In situ studies and atomistic simulations reveal that such remarkable self-healing capability stems from high density of coherent and incoherent twin boundaries that rapidly capture and transport point defects and dislocation loops to nanovoids, which act as storage bins for interstitial loops. This study describes a counterintuitive yet significant concept: deliberate introduction of nanovoids in conjunction with nanotwins enables unprecedented damage tolerance in metallic materials. PMID:25906997

Damage-tolerant nanotwinned metals with nanovoids under radiation environments.

PubMed

Chen, Y; Yu, K Y; Liu, Y; Shao, S; Wang, H; Kirk, M A; Wang, J; Zhang, X

2015-04-24

Material performance in extreme radiation environments is central to the design of future nuclear reactors. Radiation induces significant damage in the form of dislocation loops and voids in irradiated materials, and continuous radiation often leads to void growth and subsequent void swelling in metals with low stacking fault energy. Here we show that by using in situ heavy ion irradiation in a transmission electron microscope, pre-introduced nanovoids in nanotwinned Cu efficiently absorb radiation-induced defects accompanied by gradual elimination of nanovoids, enhancing radiation tolerance of Cu. In situ studies and atomistic simulations reveal that such remarkable self-healing capability stems from high density of coherent and incoherent twin boundaries that rapidly capture and transport point defects and dislocation loops to nanovoids, which act as storage bins for interstitial loops. This study describes a counterintuitive yet significant concept: deliberate introduction of nanovoids in conjunction with nanotwins enables unprecedented damage tolerance in metallic materials.

Damage-tolerant nanotwinned metals with nanovoids under radiation environments

DOE PAGES

Chen, Y.; Yu, K. Y.; Liu, Y.; ...

2015-04-24

Material performance in extreme radiation environments is central to the design of future nuclear reactors. Radiation induces significant damage in the form of dislocation loops and voids in irradiated materials, and continuous radiation often leads to void growth and subsequent void swelling in metals with low stacking fault energy. Here we show that by using in situ heavy ion irradiation in a transmission electron microscope, pre-introduced nanovoids in nanotwinned Cu efficiently absorb radiation-induced defects accompanied by gradual elimination of nanovoids, enhancing radiation tolerance of Cu. In situ studies and atomistic simulations reveal that such remarkable self-healing capability stems from highmore » density of coherent and incoherent twin boundaries that rapidly capture and transport point defects and dislocation loops to nanovoids, which act as storage bins for interstitial loops. This study describes a counterintuitive yet significant concept: deliberate introduction of nanovoids in conjunction with nanotwins enables unprecedented damage tolerance in metallic materials.« less

Effect of irradiation temperature on microstructure of ferritic-martensitic ODS steel

NASA Astrophysics Data System (ADS)

Klimenkov, M.; Lindau, R.; Jäntsch, U.; Möslang, A.

2017-09-01

The EUROFER-ODS alloy with 0.5% Y2O3 was neutron irradiated with doses up to 16.2 dpa at 250 °C, 350 °C and 450 °C. The radiation induced changes in the microstructure (e.g. dislocation loops and voids) were investigated using transmission electron microscopy (TEM). The number density of radiation induced defects was found to be significantly lower than in EUROFER 97 irradiated at the same conditions. It was found that the appearance and extent of radiation damage strongly depend not only on the irradiation temperature but also on the local number density and size distribution of ODS particles. The higher number density of dislocation loops and voids was found in the local areas with low number density of ODS particles. The interstitial loops with Burgers vector of both ½<111> and <100> types were detected by imaging using different diffraction conditions.

Cyclic softening based on dislocation annihilation at sub-cell boundary for SA333 Grade-6 C-Mn steel

NASA Astrophysics Data System (ADS)

Bhattacharjee, S.; Dhar, S.; Acharyya, S. K.; Gupta, S. K.

2018-01-01

In this work, the response of SA333 Grade-6 C-Mn steel subjected to uniaxial and in-phase biaxial tension-torsion cyclic loading is experimented and an attempt is made to model the material behaviour. Experimentally observed cyclic softening is modelled based on ‘dislocation annihilation at low angle grain boundary’, while Ohno-Wang kinematic hardening rule is used to simulate the stress-strain hysteresis loops. The relevant material parameters are extracted from the appropriate experimental results and metallurgical investigations. The material model is plugged as user material subroutine into ABAQUS FE platform to simulate pre-saturation low cycle fatigue loops with cyclic softening and other cyclic plastic behaviour under prescribed loading. The stress-strain hysteresis loops and peak stress with cycles were compared with the experimental results and good agreements between experimental and simulated results validated the material model.

Cohesive stress heterogeneities and the transition from intrinsic ductility to brittleness

NASA Astrophysics Data System (ADS)

Tanguy, D.

2017-11-01

The influence of nanoscale cavities on the fracture of the Σ 33 {554 }[110 ] symmetrical tilt grain boundary is studied by atomistic simulations. The crack crystallography is chosen such that dislocation emission is easy. A transition from a ductile behavior of the tip to a brittle one is obtained for a dense (coverage beyond 15% and intercavity spacing smaller than 4 nm) distribution of small cavities (sizes in-between 1 and 2 nm). The results are in good agreement with recent experiments from the literature. Even at the highest coverage, the character of the crack is highly sensitive to the initial position of the tip and a mixture of ductile and brittle responses is found. This complexity is beyond the usual criterion based on the drop of the work of separation with the amount of damage in the structure. It is shown that a heterogeneous cohesive zone model, with parameters extracted from the simulations and enriched with a criterion for plasticity, can explain the simulations and reproduce the transition. Additional simulations show that outside this range of small sizes and dense packing, which gives essentially a two-dimensional response (either crack opening or infinite straight dislocation emission), dislocation half-loops appear for intercavity spacing starting at about 4 nm. They constitute, together with regions of low coverage/small cavities, efficient obstacles to brittle cracking. These results could be guidelines to designing interfaces more resistant to solute embrittlement, in general. The cohesive zone model is generic. Furthermore, the {554} single crystal was used to determine to which extent the results depend on the details of the core structure versus the cavity distribution. These elements show that the conclusions reached have a generic character.

Microstructural characterisation of proton irradiated niobium using X-ray diffraction technique

NASA Astrophysics Data System (ADS)

Dutta, Argha; Gayathri, N.; Neogy, S.; Mukherjee, P.

2018-04-01

The microstructural parameters in pure Nb, irradiated with 5 MeV proton beam have been evaluated as a function of dose using X-ray diffraction line profile analysis. In order to assess the microstructural changes in the homogeneous region and in the peak damage region of the damage energy deposition profile, X-ray diffraction patterns have been collected using two different geometries (Bragg-Brentano and parallel beam geometries). Different X-ray line profile analysis like Williamson-Hall (W-H) analysis, modified W-H analysis, double-Voigt analysis, modified Rietveld technique and convolutional multiple whole profile fitting have been employed to extract the microstructural parameters like coherent domain size, microstrain within the domain, dislocation density and arrangement of dislocations. The coherent domain size decreases drastically along with increase in microstrain and dislocation density in the first dose for both the geometries. With increasing dose, a decreasing trend in microstrain associated with decrease in dislocation density is observed for both the geometries. This is attributed to the formation of defect clusters due to irradiation which with increasing dose collapse to dislocation loops to minimise the strain in the matrix. This is corroborated with the observation of black dots and loops in the TEM images. No significant difference is observed in the trend of microstructural parameters between the homogeneous and peak damage region of the damage profile.

Consideration of the oxide particle-dislocation interaction in 9Cr-ODS steel

NASA Astrophysics Data System (ADS)

Ijiri, Yuta; Oono, N.; Ukai, S.; Yu, Hao; Ohtsuka, S.; Abe, Y.; Matsukawa, Y.

2017-05-01

The interaction between oxide particles and dislocations in a 9Cr-ODS ferritic steel is investigated by both static and in situ TEM observation under dynamic straining conditions and room temperature. The measured obstacle strength (?) of the oxide particles was no greater than 0.80 and the average was 0.63. The dislocation loops around some coarsened particles were also observed. The calculated obstacle strength by a stress formula of the Orowan interaction is nearly equaled to the average experimental value. Not only cross-slip system but also the Orowan interaction should be considered as the main interaction mechanism between oxide particles and dislocation in 9CrODS ferritic steel.

High temperature annealing of ion irradiated tungsten

DOE PAGES

Ferroni, Francesco; Yi, Xiaoou; Arakawa, Kazuto; ...

2015-03-21

In this study, transmission electron microscopy of high temperature annealing of pure tungsten irradiated by self-ions was conducted to elucidate microstructural and defect evolution in temperature ranges relevant to fusion reactor applications (500–1200°C). Bulk isochronal and isothermal annealing of ion irradiated pure tungsten (2 MeV W + ions, 500°C, 1014 W +/cm 2) with temperatures of 800, 950, 1100 and 1400°C, from 0.5 to 8 h, was followed by ex situ characterization of defect size, number density, Burgers vector and nature. Loops with diameters larger than 2–3 nm were considered for detailed analysis, among which all loops had View themore » MathML source and were predominantly of interstitial nature. In situ annealing experiments from 300 up to 1200°C were also carried out, including dynamic temperature ramp-ups. These confirmed an acceleration of loop loss above 900°C. At different temperatures within this range, dislocations exhibited behaviour such as initial isolated loop hopping followed by large-scale rearrangements into loop chains, coalescence and finally line–loop interactions and widespread absorption by free-surfaces at increasing temperatures. An activation energy for the annealing of dislocation length was obtained, finding E a=1.34±0.2 eV for the 700–1100°C range.« less

Structural evolution of zirconium carbide under ion irradiation

NASA Astrophysics Data System (ADS)

Gosset, D.; Dollé, M.; Simeone, D.; Baldinozzi, G.; Thomé, L.

2008-02-01

Zirconium carbide is one of the candidate materials to be used for some fuel components of the high temperature nuclear reactors planned in the frame of the Gen-IV project. Few data exist regarding its behaviour under irradiation. We have irradiated ZrC samples at room temperature with slow heavy ions (4 MeV Au, fluence from 10 11 to 5 × 10 15 cm -2) in order to simulate neutron irradiations. Grazing incidence X-Ray diffraction (GIXRD) and transmission electron microscopy (TEM) analysis have been performed in order to study the microstructural evolution of the material versus ion fluence. A high sensitivity to oxidation is observed with the formation of zirconia precipitates during the ion irradiations. Three damage stages are observed. At low fluence (<10 12 cm -2), low modifications are observed. At intermediate fluence, high micro-strains appear together with small faulted dislocation loops. At the highest fluence (>10 14 cm -2), the micro-strains saturate and the loops coalesce to form a dense dislocation network. No other structural modification is observed. The material shows a moderate cell parameter increase, corresponding to a 0.6 vol.% swelling, which saturates around 10 14 ions/cm 2, i.e., a few Zr dpa. As a result, in spite of a strong covalent bonding component, ZrC seems to have a behaviour under irradiation close to cubic metals.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Lizhen; Kim, B. K.; Yang, Ying

Ferritic-martensitic steels such as T91 and NF616 are candidate materials for several nuclear applications. Here, this study evaluates radiation resistance of T91 and NF616 by examining their microstructural evolutions and hardening after the samples were irradiated in the Advanced Test Reactor to ~4.3 displacements per atom (dpa) at an as-run temperature of 469 °C. In general, this irradiation did not result in significant difference in the radiation-induced microstructures between the two steels. Compared to NF616, T91 had a higher number density of dislocation loops and a lower level of radiation-induced segregation, together with a slightly higher radiation-hardening. Unlike dislocation loopsmore » developed in both steels, radiation-induced cavities were only observed in T91 but remained small with sub-10 nm sizes. Lastly, other than the relatively stable M 23C 6, a new phase (likely Sigma phase) was observed in T91 and radiation-enhanced MX → Z phase transformation was identified in NF616. Laves phase was not observed in the samples.« less

Irradiation effects in UO2 and CeO2

NASA Astrophysics Data System (ADS)

Ye, Bei; Oaks, Aaron; Kirk, Mark; Yun, Di; Chen, Wei-Ying; Holtzman, Benjamin; Stubbins, James F.

2013-10-01

Single crystal CeO2, as a surrogate material to UO2, was irradiated with 500 keV xenon ions at 800 °C while being observed using in situ transmission electron microscopy (TEM). Experimental results show the formation and growth of defect clusters including dislocation loops and cavities as a function of increasing atomic displacement dose. At high dose, the dislocation loop structure evolves into an extended dislocation line structure, which appears to remain stable to the high dose levels examined in this study. A high concentration of cavities was also present in the microstructure. Despite high atomic displacement doses, the specimen remained crystalline to a cumulated dose of 5 × 1015 ions/cm2, which is consistent with the known stability of the fluorite structure under high dose irradiation. Kinetic Monte Carlo calculations show that oxygen mobility is substantially higher in hypo-stoichiometric UO2/CeO2 than hyper-stoichiometric systems. This result is consistent with the ability of irradiation damage to recover even at intermediate irradiation temperatures.

Localizing softness and stress along loops in 3D topological metamaterials

NASA Astrophysics Data System (ADS)

Baardink, Guido; Souslov, Anton; Paulose, Jayson; Vitelli, Vincenzo

2018-01-01

Topological states can be used to control the mechanical properties of a material along an edge or around a localized defect. The rigidity of elastic networks is characterized by a topological invariant called the polarization; materials with a well-defined uniform polarization display a dramatic range of edge softness depending on the orientation of the polarization relative to the terminating surface. However, in all 3D mechanical metamaterials proposed to date, the topological modes are mixed with bulk soft modes, which organize themselves in Weyl loops. Here, we report the design of a 3D topological metamaterial without Weyl lines and with a uniform polarization that leads to an asymmetry between the number of soft modes on opposing surfaces. We then use this construction to localize topological soft modes in interior regions of the material by including defect lines—dislocation loops—that are unique to three dimensions. We derive a general formula that relates the difference in the number of soft modes and states of self-stress localized along the dislocation loop to the handedness of the vector triad formed by the lattice polarization, Burgers vector, and dislocation-line direction. Our findings suggest a strategy for preprogramming failure and softness localized along lines in 3D, while avoiding extended soft Weyl modes.

Weak-beam scanning transmission electron microscopy for quantitative dislocation density measurement in steels.

PubMed

Yoshida, Kenta; Shimodaira, Masaki; Toyama, Takeshi; Shimizu, Yasuo; Inoue, Koji; Yoshiie, Toshimasa; Milan, Konstantinovic J; Gerard, Robert; Nagai, Yasuyoshi

2017-04-01

To evaluate dislocations induced by neutron irradiation, we developed a weak-beam scanning transmission electron microscopy (WB-STEM) system by installing a novel beam selector, an annular detector, a high-speed CCD camera and an imaging filter in the camera chamber of a spherical aberration-corrected transmission electron microscope. The capabilities of the WB-STEM with respect to wide-view imaging, real-time diffraction monitoring and multi-contrast imaging are demonstrated using typical reactor pressure vessel steel that had been used in an European nuclear reactor for 30 years as a surveillance test piece with a fluence of 1.09 × 1020 neutrons cm-2. The quantitatively measured size distribution (average loop size = 3.6 ± 2.1 nm), number density of the dislocation loops (3.6 × 1022 m-3) and dislocation density (7.8 × 1013 m m-3) were carefully compared with the values obtained via conventional weak-beam transmission electron microscopy studies. In addition, cluster analysis using atom probe tomography (APT) further demonstrated the potential of the WB-STEM for correlative electron tomography/APT experiments. © The Author 2017. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

High-energy synchrotron study of in-pile-irradiated U–Mo fuels

DOE PAGES

Miao, Yinbin; Mo, Kun; Ye, Bei; ...

2015-12-30

We report synchrotron scattering analysis results on U-7wt%Mo fuel samples irradiated in the Advanced Test Reactor to three different burnup levels. Mature fission gas bubble superlattice was observed to form at intermediate burnup. The superlattice constant was determined to be 11.7 nm and 12.1 nm by wide-angle and small-angle scattering respectively. Grain sub-division takes place throughout the irradiation and causes the collapse of the superlattice at high burnup. The bubble superlattice expands the lattice constant and acts as strong sinks of radiation induced defects. The evolution of dislocation loops was therefore suppressed until the bubble superlattice collapses.

Free energy change of a dislocation due to a Cottrell atmosphere

NASA Astrophysics Data System (ADS)

Sills, R. B.; Cai, W.

2018-06-01

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. We show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel-hydrogen system, predicting hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Finally, the influence of the free energy change on a dislocation's line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank-Read source using discrete dislocation dynamics.

Radiation-induced segregation on defect clusters in single-phase concentrated solid-solution alloys

DOE PAGES

Lu, Chenyang; Yang, Taini; Jin, Ke; ...

2017-01-12

A group of single-phase concentrated solid-solution alloys (SP-CSAs), including NiFe, NiCoFe, NiCoFeCr, as well as a high entropy alloy NiCoFeCrMn, was irradiated with 3 MeV Ni 2+ ions at 773 K to a fluence of 5 10 16 ions/cm 2 for the study of radiation response with increasing compositional complexity. Advanced transmission electron microscopy (TEM) with electron energy loss spectroscopy (EELS) was used to characterize the dislocation loop distribution and radiation-induced segregation (RIS) on defect clusters in the SP-CSAs. The results show that a higher fraction of faulted loops exists in the more compositionally complex alloys, which indicate that increasingmore » compositional complexity can extend the incubation period and delay loop growth. The RIS behaviors of each element in the SP-CSAs were observed as follows: Ni and Co tend to enrich, but Cr, Fe and Mn prefer to deplete near the defect clusters. RIS level can be significantly suppressed by increasing compositional complexity due to the sluggish atom diffusion. According to molecular static (MS) simulations, disk like segregations may form near the faulted dislocation loops in the SP-CSAs. Segregated elements tend to distribute around the whole faulted loop as a disk rather than only around the edge of the loop.« less

Molecular dynamic simulations of the high-speed copper nanoparticles collision with the aluminum surface

NASA Astrophysics Data System (ADS)

Pogorelko, V. V.; Mayer, A. E.

2016-11-01

With the use of the molecular dynamic simulations, we investigated the effect of the high-speed (500 m/s, 1000 m/s) copper nanoparticle impact on the mechanical properties of an aluminum surface. Dislocation analysis shows that a large number of dislocations are formed in the impact area; the total length of dislocations is determined not only by the speed and size of the incoming copper nanoparticle (kinetic energy of the nanoparticle), but by a temperature of the system as well. The dislocations occupy the whole area of the aluminum single crystal at high kinetic energy of the nanoparticle. With the decrease of the nanoparticle kinetic energy, the dislocation structures are formed in the near-surface layer; formation of the dislocation loops takes place. Temperature rise of the system (aluminum substrate + nanoparticle) reduces the total dislocation length in the single crystal of aluminum; there is deeper penetration of the copper atoms in the aluminum at high temperatures. Average energy of the nanoparticles and room temperature of the system are optimal for production of high-quality layers of copper on the aluminum surface.

TEM in situ cube-corner indentation analysis using ViBe motion detection algorithm

NASA Astrophysics Data System (ADS)

Yano, K. H.; Thomas, S.; Swenson, M. J.; Lu, Y.; Wharry, J. P.

2018-04-01

Transmission electron microscopic (TEM) in situ mechanical testing is a promising method for understanding plasticity in shallow ion irradiated layers and other volume-limited materials. One of the simplest TEM in situ experiments is cube-corner indentation of a lamella, but the subsequent analysis and interpretation of the experiment is challenging, especially in engineering materials with complex microstructures. In this work, we: (a) develop MicroViBE, a motion detection and background subtraction-based post-processing approach, and (b) demonstrate the ability of MicroViBe, in combination with post-mortem TEM imaging, to carry out an unbiased qualitative interpretation of TEM indentation videos. We focus this work around a Fe-9%Cr oxide dispersion strengthened (ODS) alloy, irradiated with Fe2+ ions to 3 dpa at 500 °C. MicroViBe identifies changes in Laue contrast that are induced by the indentation; these changes accumulate throughout the mechanical loading to generate a "heatmap" of features in the original TEM video that change the most during the loading. Dislocation loops with b = ½ <111> identified by post-mortem scanning TEM (STEM) imaging correspond to hotspots on the heatmap, whereas positions of dislocation loops with b = <100> do not correspond to hotspots. Further, MicroViBe enables consistent, objective quantitative approximation of the b = ½ <111> dislocation loop number density.

Quantitative mRNA analysis of muscarinic acetylcholine receptors in the intestine of dairy cows with spontaneous caecal dilatation-dislocation.

PubMed

Ontsouka, E C; Steiner, A; Bruckmaier, R M; Blum, J W; Meylan, M

2009-05-01

Muscarinic receptors mediate acetylcholine-induced muscular contractions. In this study, mRNA levels of muscarinic receptor subtypes 2 and 3 (M(2) and M(3)) in the ileum, caecum, proximal loop of the ascending colon (PLAC) and external loop of the spiral colon (ELSC) were determined by quantitative polymerase chain reaction in seven cows with caecal dilatation-dislocation (CDD) and seven healthy control cows. Levels of M(2) were significantly lower in the caecum, PLAC and ELSC and levels of M(3) were significantly lower in the ileum, caecum, PLAC and ELSC of cows with CDD compared to healthy cows (P<0.05). Down-regulation of M(3) may play a role in the pathogenesis of CDD.

Finite element approximation of the fields of bulk and interfacial line defects

NASA Astrophysics Data System (ADS)

Zhang, Chiqun; Acharya, Amit; Puri, Saurabh

2018-05-01

A generalized disclination (g.disclination) theory (Acharya and Fressengeas, 2015) has been recently introduced that goes beyond treating standard translational and rotational Volterra defects in a continuously distributed defects approach; it is capable of treating the kinematics and dynamics of terminating lines of elastic strain and rotation discontinuities. In this work, a numerical method is developed to solve for the stress and distortion fields of g.disclination systems. Problems of small and finite deformation theory are considered. The fields of a single disclination, a single dislocation treated as a disclination dipole, a tilt grain boundary, a misfitting grain boundary with disconnections, a through twin boundary, a terminating twin boundary, a through grain boundary, a star disclination/penta-twin, a disclination loop (with twist and wedge segments), and a plate, a lenticular, and a needle inclusion are approximated. It is demonstrated that while the far-field topological identity of a dislocation of appropriate strength and a disclination-dipole plus a slip dislocation comprising a disconnection are the same, the latter microstructure is energetically favorable. This underscores the complementary importance of all of topology, geometry, and energetics in understanding defect mechanics. It is established that finite element approximations of fields of interfacial and bulk line defects can be achieved in a systematic and routine manner, thus contributing to the study of intricate defect microstructures in the scientific understanding and predictive design of materials. Our work also represents one systematic way of studying the interaction of (g.)disclinations and dislocations as topological defects, a subject of considerable subtlety and conceptual importance (Aharoni et al., 2017; Mermin, 1979).

Atomistic modeling of shock-induced void collapse in copper

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davila, L P; Erhart, P; Bringa, E M

2005-03-09

Nonequilibrium molecular dynamics (MD) simulations show that shock-induced void collapse in copper occurs by emission of shear loops. These loops carry away the vacancies which comprise the void. The growth of the loops continues even after they collide and form sessile junctions, creating a hardened region around the collapsing void. The scenario seen in our simulations differs from current models that assume that prismatic loop emission is responsible for void collapse. We propose a new dislocation-based model that gives excellent agreement with the stress threshold found in the MD simulations for void collapse as a function of void radius.

Study of microdefects and their distribution in dislocation-free Si-doped HB GaAs by X-ray diffuse scattering on triple-crystal diffractometer

NASA Astrophysics Data System (ADS)

Charniy, L. A.; Morozov, A. N.; Bublik, V. T.; Scherbachev, K. D.; Stepantsova, I. V.; Kaganer, V. M.

1992-03-01

Microdefects in dislocation-free Si-doped (n = (1-3) × 10 18cm-3) HB GaAs crystals were studied by X-ray diffuse scattering measured with the help of a triple-crystal diffractometer. The intensity of the diffuse scattering as well as the isointensity contours around different reciprocal lattice points were analysed. A comparison of the measured isointensity contours with the theoretically calculated ones showed that the microdefects detected are interstitial dislocation loops with the Burgers vectors b = {1}/{2}<110 #3862;; lying in the planes #38;{110} and {111}. The mean radius of the dislocation loops R0 was determined using the wave vector q0 alpha; R-10 corresponding to the transmition point where the Huang diffuse scattering I( q) alpha q-2 ( q < q0) changed to the asymptotic scattering I( q) alpha q-4 ( q #62 q0). The analysis of a D-shaped cross-sectional (111) wafer cut from the end part of the HB ingot showed that R0 changed smoothly along the [ overline211] symmetry axis of the wafer. The highly inhomogeneous "new-moon"-like distribution of the non-dislocational etch-pits was also obtained. The maximal loop radius obtained at the edges of the wafer, R 0 = 1 μm, corresponds to the wafer area enriched with etch-pits and the minimal one, R 0 = 0.3 μm, corresponds to the bound of the new-moon-like area denuded from etch-pits. Microdefects of a new type were detected in the denuded area. These microdefects consist of nuclei, 0.1 μm in radius, and an extended atmosphere of interstitials. The minimal microdefect radius in the centre of the wafer corresponds to the maximum local value of the lattice parameter a = 5.655380 Å, and the minimum local value a = 5.65372 Å was obtained at the wafer edges enriched with microdefect-related etch-pits. Absolute X-ray diffuse intensity measurements were used for microdefect concentration determination. Normalization of I( q) was based on the comparison of the Huang intensity with the thermal diffuse scattering intensity which is predominant for the wave vector q å R-10. The microdefect concentration determined in this way appeared to be 4 × 10 9 cm -3 at the edges of the wafer and 4 × 10 11 cm -3 at the centre of the new-moon-like etch-pit denuded zone. The number of interstitial atoms forming dislocation loops is shown to be the same across the area of the wafer and equal to 10 16 cm -3.

Singular orientations and faceted motion of dislocations in body-centered cubic crystals.

PubMed

Kang, Keonwook; Bulatov, Vasily V; Cai, Wei

2012-09-18

Dislocation mobility is a fundamental material property that controls strength and ductility of crystals. An important measure of dislocation mobility is its Peierls stress, i.e., the minimal stress required to move a dislocation at zero temperature. Here we report that, in the body-centered cubic metal tantalum, the Peierls stress as a function of dislocation orientation exhibits fine structure with several singular orientations of high Peierls stress-stress spikes-surrounded by vicinal plateau regions. While the classical Peierls-Nabarro model captures the high Peierls stress of singular orientations, an extension that allows dislocations to bend is necessary to account for the plateau regions. Our results clarify the notion of dislocation kinks as meaningful only for orientations within the plateau regions vicinal to the Peierls stress spikes. These observations lead us to propose a Read-Shockley type classification of dislocation orientations into three distinct classes-special, vicinal, and general-with respect to their Peierls stress and motion mechanisms. We predict that dislocation loops expanding under stress at sufficiently low temperatures, should develop well defined facets corresponding to two special orientations of highest Peierls stress, the screw and the M111 orientations, both moving by kink mechanism. We propose that both the screw and the M111 dislocations are jointly responsible for the yield behavior of BCC metals at low temperatures.

The possibility of identifying the spatial location of single dislocations by topo-tomography on laboratory setups

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zolotov, D. A., E-mail: zolotovden@crys.ras.ru; Buzmakov, A. V.; Elfimov, D. A.

2017-01-15

The spatial arrangement of single linear defects in a Si single crystal (input surface (111)) has been investigated by X-ray topo-tomography using laboratory X-ray sources. The experimental technique and the procedure of reconstructing a 3D image of dislocation half-loops near the Si crystal surface are described. The sizes of observed linear defects with a spatial resolution of about 10 μm are estimated.

Development of a Scanning Microscale Fast Neutron Irradiation Platform for Examining the Correlation Between Local Neutron Damage and Graphite Microstructure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pinhero, Patrick; Windes, William

2015-03-10

The fast particle radiation damage effect of graphite, a main material in current and future nuclear reactors, has significant influence on the utilization of this material in fission and fusion plants. Atoms on graphite crystals can be easily replaced or dislocated by fast protons and result in interstitials and vacancies. The currently accepted model indicates that after most of the interstitials recombine with vacancies, surviving interstitials form clusters and furthermore gather to create loops with each other between layers. Meanwhile, surviving vacancies and interstitials form dislocation loops on the layers. The growth of these inserted layers cause the dimensional increase,more » i.e. swelling, of graphite. Interstitial and vacancy dislocation loops have been reported and they can easily been observed by electron microscope. However, observation of the intermediate atom clusters becomes is paramount in helping prove this model. We utilize fast protons generated from the University of Missouri Research Reactor (MURR) cyclotron to irradiate highly- oriented pyrolytic graphite (HOPG) as target for this research. Post-irradiation examination (PIE) of dosed targets with high-resolution transmission electron microscopy (HRTEM) has permit observation and analysis of clusters and dislocation loops to support the proposed theory. Another part of the research is to validate M.I. Heggie’s Ruck and Tuck model, which introduced graphite layers may fold under fast particle irradiation. Again, we employed microscopy to image irradiated specimens to determine how the extent of Ruck and Tuck by calculating the number of folds as a function of dose. Our most significant accomplishment is the invention of a novel class of high-intensity pure beta-emitters for long-term lightweight batteries. We have filed four invention disclosure records based on the research conducted in this project. These batteries are lightweight because they consist of carbon and tritium and can be fabricated to conform to many geometric shapes. In addition, we have published eight peer-reviewed American Nuclear Society (ANS) transactions, and presented our findings at ANS National Meetings, and several universities.« less

Application of a three-feature dispersed-barrier hardening model to neutron-irradiated Fe-Cr model alloys

NASA Astrophysics Data System (ADS)

Bergner, F.; Pareige, C.; Hernández-Mayoral, M.; Malerba, L.; Heintze, C.

2014-05-01

An attempt is made to quantify the contributions of different types of defect-solute clusters to the total irradiation-induced yield stress increase in neutron-irradiated (300 °C, 0.6 dpa), industrial-purity Fe-Cr model alloys (target Cr contents of 2.5, 5, 9 and 12 at.% Cr). Former work based on the application of transmission electron microscopy, atom probe tomography, and small-angle neutron scattering revealed the formation of dislocation loops, NiSiPCr-enriched clusters and α‧-phase particles, which act as obstacles to dislocation glide. The values of the dimensionless obstacle strength are estimated in the framework of a three-feature dispersed-barrier hardening model. Special attention is paid to the effect of measuring errors, experimental details and model details on the estimates. The three families of obstacles and the hardening model are well capable of reproducing the observed yield stress increase as a function of Cr content, suggesting that the nanostructural features identified experimentally are the main, if not the only, causes of irradiation hardening in these model alloys.

Posterior spinal osteosynthesis for cervical fracture/dislocation using a flexible multistrand cable system: technical note.

PubMed

Huhn, S L; Wolf, A L; Ecklund, J

1991-12-01

Cervical instability secondary to fracture/dislocation or traumatic subluxation involving the posterior elements may be treated by a variety of fusion techniques. The rigidity of the stainless steel wires used in posterior cervical fusions often leads to difficulty with insertion, adequate tension, and conformation of the graft construct. This report describes a technique of posterior cervical fusion employing a wire system using flexible stainless steel cables. The wire consists of a flexible, 49-strand, stainless steel cable connected on one end to a short, malleable, blunt leader with the opposite end connected to a small islet. The cable may be used in occipitocervical, atlantoaxial, facet-to-spinous process, and interspinous fusion techniques. The cable loop is secured by using a tension/crimper device that sets the desired tension in the cable. In addition to superior biomechanical strength, the flexibility of the cable allows greater ease of insertion and tension adjustment. In terms of direct operative instrumentation in posterior cervical arthrodesis, involving both the upper and lower cervical spine, the cable system appears to be a safe and efficient alternative to monofilament wires.

Dislocation substructure of mantle-derived olivine as revealed by selective chemical etching and transmission electron microscopy

USGS Publications Warehouse

Kirby, S.H.; Wegner, M.W.

1978-01-01

Cleaved and mechanically polished surfaces of olivine from peridotite xenoliths from San Carlos, Arizona, were chemically etched using the techniques of Wegner and Christie (1974). Dislocation etch pits are produced on all surface orientations and they tend to be preferentially aligned along the traces of subgrain boundaries, which are approximately parallel to (100), (010), and (001). Shallow channels were also produced on (010) surfaces and represent dislocations near the surface that are etched out along their lengths. The dislocation etch channel loops are often concentric, and emanate from (100) subgrain boundaries, which suggests that dislocation sources are in the boundaries. Data on subgrain misorientation and dislocation line orientation and arguments based on subgrain boundary energy minimization are used to characterize the dislocation structures of the subgrain boundaries. (010) subgrain boundaries are of the twist type, composed of networks of [100] and [001] screw dislocations. Both (100) and (001) subgrain boundaries are tilt walls composed of arrays of edge dislocation with Burgers vectors b=[100] and [001], respectively. The inferred slip systems are {001} ???100???, {100} ???001???, and {010} ???100??? in order of diminishing importance. Exploratory transmission electron microscopy is in accord with these identifications. The flow stresses associated with the development of the subgrain structure are estimated from the densities of free dislocations and from the subgrain dimensions. Inferred stresses range from 35 to 75 bars using the free dislocation densities and 20 to 100 bars using the subgrain sizes. ?? 1978 Springer-Verlag.

Radiation Enhanced Absorption of Frank Loops by Nanovoids in Cu

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Youxing; Zhang, Xinghang; Wang, Jian

Neutron and heavy ion irradiation generally induces voids in metallic materials, and continuous radiations typically result in void swelling and mechanical failure of the irradiated materials. Recent experiments showed that nanovoids in nanotwinned copper could act as sinks for radiation-induced Frank loops, significantly mitigating radiation damage [Y. Chen et al., Nat. Commun. 6:7036 (2015)]. In this paper, we report on structural evolution of Frank loops under cascades and address the role of nanovoids in absorbing Frank loops in detail by using molecular dynamics simulations. Results show that a stand-alone Frank loop is stable under cascades. When Frank loops are adjacentmore » to nanovoids, the diffusion of a group of atoms from the loop into nanovoids is accomplished via the formation and propagation of dislocation loops. The loop-nanovoid interactions result in the shrinkage of the nanovoids and the Frank loops.« less

Radiation Enhanced Absorption of Frank Loops by Nanovoids in Cu

DOE PAGES

Chen, Youxing; Zhang, Xinghang; Wang, Jian

2016-11-01

Neutron and heavy ion irradiation generally induces voids in metallic materials, and continuous radiations typically result in void swelling and mechanical failure of the irradiated materials. Recent experiments showed that nanovoids in nanotwinned copper could act as sinks for radiation-induced Frank loops, significantly mitigating radiation damage [Y. Chen et al., Nat. Commun. 6:7036 (2015)]. In this paper, we report on structural evolution of Frank loops under cascades and address the role of nanovoids in absorbing Frank loops in detail by using molecular dynamics simulations. Results show that a stand-alone Frank loop is stable under cascades. When Frank loops are adjacentmore » to nanovoids, the diffusion of a group of atoms from the loop into nanovoids is accomplished via the formation and propagation of dislocation loops. The loop-nanovoid interactions result in the shrinkage of the nanovoids and the Frank loops.« less

Solute softening and defect generation during prismatic slip in magnesium alloys

NASA Astrophysics Data System (ADS)

Yi, Peng; Cammarata, Robert C.; Falk, Michael L.

2017-12-01

Temperature and solute effects on prismatic slip of 〈a〉 dislocations in Mg are studied using molecular dynamics simulation. Prismatic slip is controlled by the low mobility screw dislocation. The screw dislocation glides on the prismatic plane through alternating cross-slip between the basal plane and the prismatic plane. In doing so, it exhibits a locking-unlocking mechanism at low temperatures and a more continuous wavy propagation at high temperatures. The dislocation dissociates into partials on the basal plane and the constriction formation of the partials is identified to be the rate-limiting process for unlocking. In addition, the diffusion of partials on the basal plane enables the formation of jogs and superjogs for prismatic slip, which lead to the generation of vacancies and dislocation loops. Solute softening in Mg alloys was observed in the presence of both Al and Y solute. The softening in prismatic slip is found to be due to solute pinning on the basal plane, instead of the relative energy change of the screw dislocation on the basal and prismatic planes, as has been hypothesized.

A study of the effect of helium concentration and displacement damage on the microstructure of helium ion irradiated tungsten

NASA Astrophysics Data System (ADS)

Harrison, R. W.; Greaves, G.; Hinks, J. A.; Donnelly, S. E.

2017-11-01

Transmission electron microscopy (TEM) with in-situ He ion irradiation has been used to examine the damage microstructure of W when varying the helium concentration to displacement damage ratio, irradiation temperature and total dose. Irradiations employed 15, 60 or 85 keV He ions, at temperatures between 500 and 1000 °C up to doses of ∼3.0 DPA. Once nucleated and grown to an observable size in the TEM, bubble diameter as a function of irradiation dose did not measurably increase at irradiation temperatures of 500 °C between 1.0 and 3.0 DPA; this is attributed to the low mobility of vacancies and He/vacancy complexes at these temperatures. Bubble diameter increased slightly for irradiation temperatures of 750 °C and rapidly increased when irradiated at 1000 °C. Dislocation loops were observed at irradiation temperatures of 500 and 750 °C and no loops were observed at 1000 °C. Burgers vectors of the dislocations were determined to be b = ±½<111> type only and both vacancy and interstitial loops were observed. The proportion of interstitial loops increased with He-appm/DPA ratio and this is attributed to the concomitant increase in bubble areal density, which reduces the vacancy flux for both the growth of vacancy-type loops and the annihilation of interstitial clusters.

A numerical spectral approach to solve the dislocation density transport equation

NASA Astrophysics Data System (ADS)

Djaka, K. S.; Taupin, V.; Berbenni, S.; Fressengeas, C.

2015-09-01

A numerical spectral approach is developed to solve in a fast, stable and accurate fashion, the quasi-linear hyperbolic transport equation governing the spatio-temporal evolution of the dislocation density tensor in the mechanics of dislocation fields. The approach relies on using the Fast Fourier Transform algorithm. Low-pass spectral filters are employed to control both the high frequency Gibbs oscillations inherent to the Fourier method and the fast-growing numerical instabilities resulting from the hyperbolic nature of the transport equation. The numerical scheme is validated by comparison with an exact solution in the 1D case corresponding to dislocation dipole annihilation. The expansion and annihilation of dislocation loops in 2D and 3D settings are also produced and compared with finite element approximations. The spectral solutions are shown to be stable, more accurate for low Courant numbers and much less computation time-consuming than the finite element technique based on an explicit Galerkin-least squares scheme.

Free energy change of a dislocation due to a Cottrell atmosphere

DOE PAGES

Sills, R. B.; Cai, W.

2018-03-07

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. In this work, we show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel–hydrogen system, predictingmore » hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Lastly, the influence of the free energy change on a dislocation’s line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank–Read source using discrete dislocation dynamics.« less

Free energy change of a dislocation due to a Cottrell atmosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sills, R. B.; Cai, W.

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. In this work, we show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel–hydrogen system, predictingmore » hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Lastly, the influence of the free energy change on a dislocation’s line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank–Read source using discrete dislocation dynamics.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Shenyang; Lavender, Curt A.; Joshi, Vineet V.

Recrystallization plays an important role in swelling kinetics of irradiated metallic nuclear fuels. This talk will present a three-dimensional microstructure-dependent swelling model by integrating the evolution of intra-and inter- granular gas bubbles, dislocation loop density, and recrystallization.

The strength and dislocation microstructure evolution in superalloy microcrystals

NASA Astrophysics Data System (ADS)

Hussein, Ahmed M.; Rao, Satish I.; Uchic, Michael D.; Parthasarathay, Triplicane A.; El-Awady, Jaafar A.

2017-02-01

In this work, the evolution of the dislocations microstructure in single crystal two-phase superalloy microcrystals under monotonic loading has been studied using the three-dimensional discrete dislocation dynamics (DDD) method. The DDD framework has been extended to properly handle the collective behavior of dislocations and their interactions with large collections of arbitrary shaped precipitates. Few constraints are imposed on the initial distribution of the dislocations or the precipitates, and the extended DDD framework can support experimentally-obtained precipitate geometries. Full tracking of the creation and destruction of anti-phase boundaries (APB) is accounted for. The effects of the precipitate volume fraction, APB energy, precipitate size, and crystal size on the deformation of superalloy microcrystals have been quantified. Correlations between the precipitate microstructure and the dominant deformation features, such as dislocation looping versus precipitate shearing, are also discussed. It is shown that the mechanical strength is independent of the crystal size, increases linearly with increasing the volume fraction, follows a near square-root relationship with the APB energy and an inverse square-root relationship with the precipitate size. Finally, the flow strength in simulations having initial dislocation pair sources show a flow strength that is about one half of that predicted from simulations starting with single dislocation sources. The method developed can be used, with minimal extensions, to simulate dislocation microstructure evolution in general multiphase materials.

Investigation of mechanical and microstructural properties of Zircaloy-4 under different experimental conditions

DOE PAGES

Silva, Chinthaka M.; Leonard, Keith J.; Van Abel, Eric; ...

2017-12-09

Here two types of Zircaloy-4 (alpha-annealed and beta-quenched) were investigated in their different forms. It was found that mechanical properties of Zircaloy-4 are affected significantly by welding and hydrogen-charging followed by neutron irradiation. Evaluation of microstructural properties of samples showed that these changes are mainly due to the formation of secondary phases such as hydrides—mostly along grain boundaries, dislocation channeling and their disruptions, and the increase in the type dislocation loops.

Modelling irradiation-induced softening in BCC iron by crystal plasticity approach

NASA Astrophysics Data System (ADS)

Xiao, Xiazi; Terentyev, Dmitry; Yu, Long; Song, Dingkun; Bakaev, A.; Duan, Huiling

2015-11-01

Crystal plasticity model (CPM) for BCC iron to account for radiation-induced strain softening is proposed. CPM is based on the plastically-driven and thermally-activated removal of dislocation loops. Atomistic simulations are applied to parameterize dislocation-defect interactions. Combining experimental microstructures, defect-hardening/absorption rules from atomistic simulations, and CPM fitted to properties of non-irradiated iron, the model achieves a good agreement with experimental data regarding radiation-induced strain softening and flow stress increase under neutron irradiation.

Investigation of mechanical and microstructural properties of Zircaloy-4 under different experimental conditions

NASA Astrophysics Data System (ADS)

Silva, Chinthaka M.; Leonard, Keith J.; Van Abel, Eric; Geringer, J. Wilna; Bryan, Chris D.

2018-02-01

Two types of Zircaloy-4 (alpha-annealed and beta-quenched) were investigated in their different forms. It was found that mechanical properties of Zircaloy-4 are affected significantly by welding and hydrogen-charging followed by neutron irradiation. Evaluation of microstructural properties of samples showed that these changes are mainly due to the formation of secondary phases such as hydrides-mostly along grain boundaries, dislocation channeling and their disruptions, and the increase in the type dislocation loops.

Non-Invasive Optical Characterization of Defects in Gallium Arsenide.

NASA Astrophysics Data System (ADS)

Cao, Xuezhong

This work is concerned with the development of a non-invasive comprehensive defect analysis system based on computer-assisted near infrared (NIR) microscopy. Focus was placed on the development of software for quantitative image analysis, contrast enhancement, automated defects density counting, and two-dimensional defect density mapping. Bright field, dark field, phase contrast, and polarized light imaging modes were explored for the analysis of striations, precipitates, decorated and undecorated dislocations, surface and subsurface damage, and local residual strain in GaAs wafers. The origin of the contrast associated with defect image formation in NIR microscopy was analyzed. The local change in the index of refraction about a defect was modelled as a mini-lens. This model can explain reversal of image contrast for dislocations in heavily doped n-type GaAs during defocusing. Defect structures in GaAs crystals grown by the conventional liquid encapsulated Czochralski (LEC) method are found to differ significantly from those grown by the horizontal Bridgman (HB) or vertical gradient freeze (VGF) method. Dislocation densities in HB and VGF GaAs are one to two orders of magnitude lower compared to those in conventional LEC GaAs. The dislocations in HB and VGF GaAs remain predominantly on the {111}/<1 |10> primary slip system and tend to form small-angle subboundaries. Much more complicated dislocation structures are found in conventional LEC GaAs. Dislocation loops, dipoles, and helices were observed, indicating strong interaction between dislocations and point defects in these materials. Precipitates were observed in bulk GaAs grown by the LEC, HB, and VGF methods. Precipitation was found to occur predominantly along dislocation lines, however, discrete particles were also observed in dislocation-free regions of the GaAs matrix. The size of discrete precipitates is much smaller than that of the precipitates along dislocations. Quenching after high temperature annealing at 1150^ circC was found effective in dissolving the precipitates but glide dislocations are generated during the quenching process. STEM/EDX analysis showed that the precipitates are essentially pure arsenic in both undoped and doped GaAs. NIR phase contrast transmission microscopy was found to be very sensitive in detecting surface and subsurface damage on commercial GaAs wafers. Wafers from a number of GaAs manufacturers were examined. It was shown that some GaAs wafers exhibit perfect surface quality, but in many instances they exhibit, to various extents, subsurface damage. Computer-assisted NIR transmission microscopy in a variety of modes is found to be a rapid and non-invasive technique suitable for wafer characterization in a fabline environment. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253-1690.) (Abstract shortened by UMI.).

Temperature impact on the micro structure of tungsten exposed to He irradiation in LHD

NASA Astrophysics Data System (ADS)

Bernard, Elodie; Sakamoto, Ryuichi; Tokitani, Masayuki; Masuzaki, Suguru; Hayashi, Hiromi; Yamada, Hiroshi; Yoshida, Naoaki

2017-02-01

A new temperature controlled material probe was designed for the exposure of tungsten samples to helium plasma in the LHD. Samples were exposed to estimated fluences of ∼1023 m-2 and temperatures ranging from 65 to 600 °C. Transmission Electron Microscopy analysis allowed the study of the impact of He irradiation under high temperatures on tungsten micro structure for the first time in real-plasma exposure conditions. Both dislocation loops and bubbles appeared from low to medium temperatures and saw an impressive increase of size (factor 4 to 6) most probably by coalescence as the temperature reaches 600 °C, with 500 °C appearing as a threshold for bubble growth. Annealing of the samples up to 800 C highlighted the stability of the dislocation damages formed by helium irradiation at high surface temperature, as bubbles and dislocation loops seem to conserve their characteristics. Additional studies on cross-sections showed that bubbles were formed much deeper (70-100 nm) than the heavily damaged surface layer (10-20 nm), raising concern about the impact on the material mechanical properties conservation and potential additional trapping of hydrogen isotopes.

Radiation damage studies of ion-irradiated low-activation developmental martensitic steel alloys for fusion applications

NASA Astrophysics Data System (ADS)

Mazey, D. J.; Hanks, W.; Lurcook, O. K.

1990-09-01

Five martensitic, nominally 9 and 11% Cr-W-V-Mn-Ta stainless steels which have been developed as low-activation alloys for fusion-reactor structural applications have been irradiated with 52 MeV Cr 6+ ions to 20 dpa at 475°C in the Harwell Variable Energy Cyclotron (VEC). Four of the alloys contained additions of 0.1 wt% Ta and these had been shown in prior tests to have mechanical properties comparable with the conventional FV 448 alloy. Examinations by TEM showed that irradiation-induced precipitates were present on a fine-scale in all of the alloys. These comprised Cr-rich lath-like defects in the 9Cr, Ta-free alloy; small Cr-rich particles in the 9Cr-3W-0.1Ta alloy and Cr-rich planar precipitates in the remaining alloys. Little or no irradiation-induced cavitation was observed. The other important irradiation-induced response was in the dislocation structure in the Ta-containing alloys which comprised an extensive rafted array of elongated a <100> type dislocation loops having major axes aligned in <100> directions. A significant fraction of the presumed a <100> loops contained stacking-fault fringes and analysis suggested that these were Cr 2N or Fe 4N nitride phase which it is known can form on {001} habit planes. Such nitrides are observed frequently under thermal-annealing conditions in ferritic steels, but less frequently under irradiation. Their formation in relation to the void swelling resistance of ferritic-martensitic alloys is discussed.

In situ high-energy X-ray diffraction study of tensile deformation of neutron-irradiated polycrystalline Fe-9%Cr alloy

DOE PAGES

Zhang, Xuan; Li, Meimei; Park, Jun -Sang; ...

2016-12-30

The effect of neutron irradiation on tensile deformation of a Fe-9wt.%Cr alloy was investigated using in situ high-energy synchrotron X-ray diffraction during room-temperature uniaxial tensile tests. New insights into the deformation mechanisms were obtained through the measurements of lattice strain evolution and the analysis of diffraction peak broadening using the modified Williamson-Hall method. Two neutron-irradiated specimens, one irradiated at 300 °C to 0.01 dpa and the other at 450 °C to 0.01dpa, were tested along with an unirradiated specimen. The macroscopic stress–strain curves of the irradiated specimens showed increased strength, reduced ductility and work-hardening exponent compared to the unirradiated specimen.more » The evolutions of the lattice strain, the dislocation density and the coherent scattering domain size in the deformation process revealed different roles of the submicroscopic defects in the 300°C/0.01 dpa specimen and the TEM-visible nanometer-sized dislocation loops in the 450°C/0.01 dpa specimen: submicroscopic defects extended the linear work hardening stage (stage II) to a higher strain, while irradiation-induced dislocation loops were more effective in dislocation pinning. Lastly, while the work hardening rate of stage II was unaffected by irradiation, significant dynamic recovery in stage III in the irradiated specimens led to the early onset of necking without stage IV as observed in the unirradiated specimen.« less

A discrete mechanics approach to dislocation dynamics in BCC crystals

NASA Astrophysics Data System (ADS)

Ramasubramaniam, A.; Ariza, M. P.; Ortiz, M.

2007-03-01

A discrete mechanics approach to modeling the dynamics of dislocations in BCC single crystals is presented. Ideas are borrowed from discrete differential calculus and algebraic topology and suitably adapted to crystal lattices. In particular, the extension of a crystal lattice to a CW complex allows for convenient manipulation of forms and fields defined over the crystal. Dislocations are treated within the theory as energy-minimizing structures that lead to locally lattice-invariant but globally incompatible eigendeformations. The discrete nature of the theory eliminates the need for regularization of the core singularity and inherently allows for dislocation reactions and complicated topological transitions. The quantization of slip to integer multiples of the Burgers' vector leads to a large integer optimization problem. A novel approach to solving this NP-hard problem based on considerations of metastability is proposed. A numerical example that applies the method to study the emanation of dislocation loops from a point source of dilatation in a large BCC crystal is presented. The structure and energetics of BCC screw dislocation cores, as obtained via the present formulation, are also considered and shown to be in good agreement with available atomistic studies. The method thus provides a realistic avenue for mesoscale simulations of dislocation based crystal plasticity with fully atomistic resolution.

Interface Mediated Nucleation and Growth of Dislocations in fcc-bcc nanocomposite

NASA Astrophysics Data System (ADS)

Zhang, Ruifeng; Wang, Jian; Beyerlein, Irene J.; Germann, Timothy C.

2011-03-01

Heterophase interfaces play a crucial role in determining material strength for nanostructured materials because they can block, store, nucleate, and remove dislocations, the essential defects that enable plastic deformation. Much recent theoretical and experimental effort has been conducted on nanostructured Cu-Nb multilayer composites that exhibited extraordinarily high strength, ductility, and resistance to radiation and mechanical loading. In decreasing layer thicknesses to the order of a few tens of nanometers or less, the deformation behavior of such composites is mainly controlled by the Cu/Nb interface. In this work, we focus on the cooperative mechanisms of dislocation nucleation and growth from Cu/Nb interfaces, and their interaction with interface. Two types of experimentally observed Cu/Nb incoherent interfaces are comparatively studied. We found that the preferred dislocation nucleation sites are closely related to atomic interface structure, which in turn, depend on the orientation relationship. The activation stress and energies for an isolated Shockley dislocation loop of different sizes from specific interface sites depend strongly on dislocation size, atomic interface pattern, and loading conditions. Such findings provide important insight into the mechanical response of a wide range of fcc/bcc metallic nanocomposites via atomic interface design.

Identical activation volumes of dislocation mobility in the [100](010) and [001](010) slip systems in natural olivine

NASA Astrophysics Data System (ADS)

Wang, Lin; Blaha, Stephan; Kawazoe, Takaaki; Miyajima, Nobuyoshi; Katsura, Tomoo

2017-03-01

Dislocation recovery experiments were performed on predeformed olivine single crystals at pressures of 2, 7 and 12 GPa and a constant temperature of 1650 K to determine the pressure dependence of the annihilation rate constants for [100](010) edge dislocation (a dislocation) and [001](010) screw dislocation (c dislocation). The constants of both types of dislocations are comparable within 0.3 orders of magnitude. The activation volumes of a and c dislocations are small and identical within error: 2.7 ± 0.2 and 2.5 ± 0.9 cm3/mol, respectively. These values are slightly larger and smaller than those of Si lattice and grain-boundary diffusions in olivine, respectively. The small and identical activation volumes for the a and c dislocations suggest that the pressure-induced fabric transition is unlikely in the asthenosphere. The decrease in seismic anisotropy with depth down in the asthenosphere may be caused by the fabric transition from A type or B type to AG type with decreasing stress with depth.

Evolution of irradiation-induced strain in an equiatomic NiFe alloy

DOE PAGES

Ullah, Mohammad W.; Zhang, Yanwen; Sellami, Neila; ...

2017-07-10

Here, we investigate the formation and accumulation of irradiation-induced atomic strain in an equiatomic NiFe concentrated solid-solution alloy using both atomistic simulations and x-ray diffraction (XRD) analysis of irradiated samples. Experimentally, the irradiations are performed using 1.5 MeV Ni ions to fluences ranging from 1 × 10 13 to 1 × 10 14 cm -2. The irradiation simulations are carried out by overlapping 5 keV Ni recoils cascades up to a total of 300 recoils. An increase of volumetric strain is observed at low dose, which is associated with production of point defects and small clusters. A relaxation of strainmore » occurs at higher doses, when large defect clusters, like dislocation loops, dominate.« less

Dislocation dynamics simulations of plasticity at small scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Caizhi

2010-01-01

As metallic structures and devices are being created on a dimension comparable to the length scales of the underlying dislocation microstructures, the mechanical properties of them change drastically. Since such small structures are increasingly common in modern technologies, there is an emergent need to understand the critical roles of elasticity, plasticity, and fracture in small structures. Dislocation dynamics (DD) simulations, in which the dislocations are the simulated entities, offer a way to extend length scales beyond those of atomistic simulations and the results from DD simulations can be directly compared with the micromechanical tests. The primary objective of this researchmore » is to use 3-D DD simulations to study the plastic deformation of nano- and micro-scale materials and understand the correlation between dislocation motion, interactions and the mechanical response. Specifically, to identify what critical events (i.e., dislocation multiplication, cross-slip, storage, nucleation, junction and dipole formation, pinning etc.) determine the deformation response and how these change from bulk behavior as the system decreases in size and correlate and improve our current knowledge of bulk plasticity with the knowledge gained from the direct observations of small-scale plasticity. Our simulation results on single crystal micropillars and polycrystalline thin films can march the experiment results well and capture the essential features in small-scale plasticity. Furthermore, several simple and accurate models have been developed following our simulation results and can reasonably predict the plastic behavior of small scale materials.« less

Scale transition using dislocation dynamics and the nudged elastic band method

DOE PAGES

Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; ...

2017-08-01

Microstructural features such as precipitates or irradiation-induced defects impede dislocation motion and directly influence macroscopic mechanical properties such as yield point and ductility. In dislocation-defect interactions both atomic scale and long range elastic interactions are involved. Thermally assisted dislocation bypass of obstacles occurs when thermal fluctuations and driving stresses contribute sufficient energy to overcome the energy barrier. The Nudged Elastic Band (NEB) method is typically used in the context of atomistic simulations to quantify the activation barriers for a given reaction. In this work, the NEB method is generalized to coarse-grain continuum representations of evolving microstructure states beyond the discretemore » particle descriptions of first principles and atomistics. The method we employed enables the calculation of activation energies for a View the MathML source glide dislocation bypassing a [001] self-interstitial atom loop of size in the range of 4-10 nm with a spacing larger than 150nm in α-iron for a range of applied stresses and interaction geometries. This study is complemented by a comparison between atomistic and continuum based prediction of barriers.« less

Evolution of radiation defect and radiation hardening in heat treated SA508 Gr3 steel

NASA Astrophysics Data System (ADS)

Jin, Hyung-Ha; Kwon, Junhyun; Shin, Chansun

2014-01-01

The formation of radiation defects and corresponding radiation hardening in heat-treated SA508 Gr3 steel after Fe ion irradiation were investigated by means of transmission electron microscopy and a nano-indentation technique. As the residual dislocation density is increased in the matrix, the formation of radiation defects is considerably weakened. Comparison between the characteristics of the radiation defect and an evaluation of radiation hardening indicates that a large dislocation loop contributes little to the radiation hardening in the heat-treated SA508 Gr3 steel.

Microstructural evolution of neutron-irradiated T91 and NF616 to ~4.3 dpa at 469 °C

DOE PAGES

Tan, Lizhen; Kim, B. K.; Yang, Ying; ...

2017-05-30

Ferritic-martensitic steels such as T91 and NF616 are candidate materials for several nuclear applications. Here, this study evaluates radiation resistance of T91 and NF616 by examining their microstructural evolutions and hardening after the samples were irradiated in the Advanced Test Reactor to ~4.3 displacements per atom (dpa) at an as-run temperature of 469 °C. In general, this irradiation did not result in significant difference in the radiation-induced microstructures between the two steels. Compared to NF616, T91 had a higher number density of dislocation loops and a lower level of radiation-induced segregation, together with a slightly higher radiation-hardening. Unlike dislocation loopsmore » developed in both steels, radiation-induced cavities were only observed in T91 but remained small with sub-10 nm sizes. Lastly, other than the relatively stable M 23C 6, a new phase (likely Sigma phase) was observed in T91 and radiation-enhanced MX → Z phase transformation was identified in NF616. Laves phase was not observed in the samples.« less

Microstructure and mechanical properties of FeCrAl alloys under heavy ion irradiations

NASA Astrophysics Data System (ADS)

Aydogan, E.; Weaver, J. S.; Maloy, S. A.; El-Atwani, O.; Wang, Y. Q.; Mara, N. A.

2018-05-01

FeCrAl ferritic alloys are excellent cladding candidates for accident tolerant fuel systems due to their high resistance to oxidation as a result of formation of a protective Al2O3 scale at high temperatures in steam. In this study, we report the irradiation response of the 10Cr and 13Cr FeCrAl cladding tubes under Fe2+ ion irradiation up to ∼16 dpa at 300 °C. Dislocation loop size, density and characteristics were determined using both two-beam bright field transmission electron microscopy and on-zone scanning transmission electron microscopy techniques. 10Cr (C06M2) tube has a lower dislocation density, larger grain size and a slightly weaker texture compared to the 13Cr (C36M3) tube before irradiation. After irradiation to 0.7 dpa and 16 dpa, the fraction of <100> type sessile dislocations decreases with increasing Cr amount in the alloys. It has been found that there is neither void formation nor α‧ precipitation as a result of ion irradiations in either alloy. Therefore, dislocation loops were determined to be the only irradiation induced defects contributing to the hardening. Nanoindentation testing before the irradiation revealed that the average nanohardness of the C36M3 tube is higher than that of the C06M2 tube. The average nanohardness of irradiated tube samples saturated at 1.6-2.0 GPa hardening for both tubes between ∼3.4 dpa and ∼16 dpa. The hardening calculated based on transmission electron microscopy was found to be consistent with nanohardness measurements.

Microstructure and mechanical properties of FeCrAl alloys under heavy ion irradiations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aydogan, E.; Weaver, J. S.; Maloy, S. A.

FeCrAl ferritic alloys are excellent cladding candidates for accident tolerant fuel systems due to their high resistance to oxidation as a result of formation of a protective Al 2O 3 scale at high temperatures in steam. In this study, we report the irradiation response of the 10Cr and 13Cr FeCrAl cladding tubes under Fe 2+ ion irradiation up to ~16 dpa at 300 °C. Dislocation loop size, density and characteristics were determined using both two beam bright field transmission electron microscopy and on-zone scanning transmission electron microscopy techniques. 10Cr (C06M2) tube has a lower dislocation density, larger grain size andmore » a slightly weaker texture compared to the 13Cr (C36M3) tube before irradiation. After irradiation to 0.7 dpa and 16 dpa, the fraction of <100> type sessile dislocations decreases with increasing Cr amount in the alloys. It has been found that there is neither void formation nor α' precipitation as a result of ion irradiations in either alloy. Therefore, dislocation loops were determined to be the only irradiation induced defects contributing to the hardening. Nanoindentation testing before the irradiation revealed that the average nanohardness of the C36M3 tube is higher than that of the C06M2 tube. The average nanohardness of irradiated tube samples saturated at 1.6-2.0 GPa hardening for both tubes between ~3.4 dpa and ~16 dpa. The hardening calculated based on transmission electron microscopy was found to be consistent with nanohardness measurements.« less

Microstructure and mechanical properties of FeCrAl alloys under heavy ion irradiations

DOE PAGES

Aydogan, E.; Weaver, J. S.; Maloy, S. A.; ...

2018-03-02

FeCrAl ferritic alloys are excellent cladding candidates for accident tolerant fuel systems due to their high resistance to oxidation as a result of formation of a protective Al 2O 3 scale at high temperatures in steam. In this study, we report the irradiation response of the 10Cr and 13Cr FeCrAl cladding tubes under Fe 2+ ion irradiation up to ~16 dpa at 300 °C. Dislocation loop size, density and characteristics were determined using both two beam bright field transmission electron microscopy and on-zone scanning transmission electron microscopy techniques. 10Cr (C06M2) tube has a lower dislocation density, larger grain size andmore » a slightly weaker texture compared to the 13Cr (C36M3) tube before irradiation. After irradiation to 0.7 dpa and 16 dpa, the fraction of <100> type sessile dislocations decreases with increasing Cr amount in the alloys. It has been found that there is neither void formation nor α' precipitation as a result of ion irradiations in either alloy. Therefore, dislocation loops were determined to be the only irradiation induced defects contributing to the hardening. Nanoindentation testing before the irradiation revealed that the average nanohardness of the C36M3 tube is higher than that of the C06M2 tube. The average nanohardness of irradiated tube samples saturated at 1.6-2.0 GPa hardening for both tubes between ~3.4 dpa and ~16 dpa. The hardening calculated based on transmission electron microscopy was found to be consistent with nanohardness measurements.« less

On damping of screw dislocation bending vibrations in dissipative crystal: limiting cases

NASA Astrophysics Data System (ADS)

Dezhin, V. V.

2018-03-01

The expression for the generalized susceptibility of the dislocation obtained earlier was used. The electronic drag mechanism of dislocations is considered. The study of small dislocation oscillations was limited. The contribution of the attenuation of low-frequency bending screw dislocation vibrations to the overall coefficient of dynamic dislocation drag in the long-wave and short-wave limits is calculated. The damping of short-wave bending screw dislocation vibrations caused by an external action of an arbitrary frequency has been investigated. The contribution of long-wave bending screw dislocation vibrations damping in the total drag coefficient at an arbitrary frequency is found.

The co-evolution of microstructure features in self-ion irradiated HT9 at very high damage levels

NASA Astrophysics Data System (ADS)

Getto, Elizabeth Margaret

The objective of this study was to understand the co-evolution of microstructure features in self-ion irradiated HT9 at very high damage levels. HT9 (heat 84425) was pre-implanted with 10 atom parts per million helium and then irradiated with 5 MeV Fe++ in the temperature range of 440-480°C to 188 dpa. A damage dependence study from 75 to 650 dpa was performed at the peak swelling temperature of 460°C. The swelling, dislocation and precipitate evolution was determined using Analytic Electron Microscopes in both Conventional Transmission electron microscopy (CTEM) and Scanning Transmission Electron Microscopy (STEM) modes. Void swelling reached a nominally linear rate of 0.03%/dpa from 188 to 650 dpa at 460°C. G phase precipitates were observed by 75 dpa and grew linearly up to 650 dpa. M 2X was observed by 250 dpa and peaked in volume fraction at 450 dpa. Dislocation loop evolution was observed up to 650 dpa including a step change in diameter between 375 and 450 dpa; which correlated with nucleation and growth of M2X. The experimental results were interpreted using a rate theory model, the Radiation Induced Microstructure Evolution (RIME), in the damage range from 188 to 650 dpa. A simple system of voids and dislocations was modeled in which the dislocations measured from experiment were used as input, or the dislocations were allowed to evolve dynamically, resulting in swelling that was overestimated by 63% relative to that observed experimentally. G phase had limited effect on the void or dislocation behavior. The behavior of M2X within the microstructure was characterized as a direct effect as a coherent sink, and as an indirect effect in consuming carbon from the matrix, which had the largest impact on both void and dislocation behavior. A slowly monotonically increasing swelling rate was observed both experimentally and computationally, with swelling rates of ˜0.025%/dpa and ˜0.036%/dpa before and after 450 dpa. The agreement in void behavior between experiment and model when all effects (loops, network, G phase, M2X formation and growth, and removal of carbon) are accounted for demonstrates the importance of characterizing the evolution of the full microstructure over a large dpa range.

Defect-induced change of temperature-dependent elastic constants in BCC iron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, N.; Setyawan, W.; Zhang, S. H.

2017-07-01

The effects of radiation-induced defects (randomly distributed vacancies, voids, and interstitial dislocation loops) on temperature-dependent elastic constants, C11, C12, and C44 in BCC iron, are studied with molecular dynamics method. The elastic constants are found to decrease with increasing temperatures for all cases containing different defects. The presence of vacancies, voids, or interstitial loops further decreases the elastic constants. For a given number of point defects, the randomly distributed vacancies show the strongest effect compared to voids or interstitial loops. All these results are expected to provide useful information to combine with experimental results for further understanding of radiation damage.

Mechanisms of radiation embrittlement of VVER-1000 RPV steel at irradiation temperatures of (50-400)°C

NASA Astrophysics Data System (ADS)

Kuleshova, E. A.; Gurovich, B. A.; Bukina, Z. V.; Frolov, A. S.; Maltsev, D. A.; Krikun, E. V.; Zhurko, D. A.; Zhuchkov, G. M.

2017-07-01

This work summarizes and analyzes our recent research results on the effect of irradiation temperature within the range of (50-400)°C on microstructure and properties of 15Kh2NMFAA class 1 steel (VVER-1000 reactor pressure vessel (RPV) base metal). The paper considers the influence of accelerated irradiation with different temperature up to different fluences on the carbide and irradiation-induced phases, radiation defects, yield strength changes and critical brittleness temperature shift (ΔTK) as well as on changes of the fraction of brittle intergranular fracture and segregation processes in the steel. Low temperature irradiation resulted solely in formation of radiation defects - dislocation loops of high number density, the latter increased with increase in irradiation temperature while their size decreased. In this regard high embrittlement rate observed at low temperature irradiation is only due to the hardening mechanism of radiation embrittlement. Accelerated irradiation at VVER-1000 RPV operating temperature (∼300 °C) caused formation of radiation-induced precipitates and dislocation loops, as well as some increase in phosphorus grain boundary segregation. The observed ΔTK shift being within the regulatory curve for VVER-1000 RPV base metal is due to both hardening and non-hardening mechanisms of radiation embrittlement. Irradiation at elevated temperature caused more intense phosphorus grain boundary segregation, but no formation of radiation-induced precipitates or dislocation loops in contrast to irradiation at 300 °C. Carbide transformations observed only after irradiation at 400 °C caused increase in yield strength and, along with a contribution of the non-hardening mechanism, resulted in the lowest ΔTK shift in the studied range of irradiation temperature and fluence.

Dislocation gliding and cross-hatch morphology formation in AIII-BV epitaxial heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kovalskiy, V. A., E-mail: kovalva@iptm.ru; Vergeles, P. S.; Eremenko, V. G.

2014-12-08

An approach for understanding the origin of cross-hatch pattern (CHP) on the surface of lattice mismatched GaMnAs/InGaAs samples grown on GaAs (001) substrates is developed. It is argued that the motion of threading dislocations in the (111) slip planes during the relaxation of InGaAs buffer layer is more complicated process and its features are similar to the ones of dislocation half-loops gliding in plastically deformed crystals. The heterostructures were characterized by atomic force microscopy and electron beam induced current (EBIC). Detailed EBIC experiments revealed contrast features, which cannot be accounted for by the electrical activity of misfit dislocations at themore » buffer/substrate interface. We attribute these features to specific extended defects (EDs) generated by moving threading dislocations in the partially relaxed InGaAs layers. We believe that the core topology, surface reconstruction, and elastic strains from these EDs accommodated in slip planes play an important role in the CHP formation. The study of such electrically active EDs will allow further understanding of degradation and changes in characteristics of quantum devices based on strained heterostructures.« less

Edge dislocations as sinks for sub-nanometric radiation induced defects in α-iron

NASA Astrophysics Data System (ADS)

Anento, N.; Malerba, L.; Serra, A.

2018-01-01

The role of edge dislocations as sinks for small radiation induced defects in bcc-Fe is investigated by means of atomistic computer simulation. In this work we investigate by Molecular Statics (T = 0K) the interaction between an immobile dislocation line and defect clusters of small sizes invisible experimentally. The study highlights in particular the anisotropy of the interaction and distinguishes between absorbed and trapped defects. When the considered defect intersects the dislocation glide plane and the distance from the dislocation line to the defect is on the range between 2 nm and 4 nm, either total or partial absorption of the cluster takes place leading to the formation of jogs. Residual defects produced during partial absorption pin the dislocation. By the calculation of stress-strain curves we have assessed the strength of those residues as obstacles for the motion of the dislocation, which is reflected on the unpinning stresses and the binding energies obtained. When the defect is outside this range, but on planes close to the dislocation glide plane, instead of absorption we have observed a capture process. Finally, with a view to introducing explicitly in kinetic Monte Carlo models a sink with the shape of a dislocation line, we have summarized our findings on a table presenting the most relevant parameters, which define the interaction of the dislocation with the defects considered.

Field Dislocation Mechanics for heterogeneous elastic materials: A numerical spectral approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Djaka, Komlan Senam; Villani, Aurelien; Taupin, Vincent

Spectral methods using Fast Fourier Transform (FFT) algorithms have recently seen a surge in interest in the mechanics of materials community. The present work addresses the critical question of determining accurate local mechanical fields using FFT methods without artificial fluctuations arising from materials and defects induced discontinuities. Precisely, this work introduces a numerical approach based on intrinsic discrete Fourier transforms for the simultaneous treatment of material discontinuities arising from the presence of dislocations and from elastic stiffness heterogeneities. To this end, the elasto-static equations of the field dislocation mechanics theory for periodic heterogeneous materials are numerically solved with FFT inmore » the case of dislocations in proximity of inclusions of varying stiffness. An optimal intrinsic discrete Fourier transform method is sought based on two distinct schemes. A centered finite difference scheme for differential rules are used for numerically solving the Poisson-type equation in the Fourier space, while centered finite differences on a rotated grid is chosen for the computation of the modified Fourier–Green’s operator associated with the Lippmann–Schwinger-type equation. By comparing different methods with analytical solutions for an edge dislocation in a composite material, it is found that the present spectral method is accurate, devoid of any numerical oscillation, and efficient even for an infinite phase elastic contrast like a hole embedded in a matrix containing a dislocation. The present FFT method is then used to simulate physical cases such as the elastic fields of dislocation dipoles located near the matrix/inclusion interface in a 2D composite material and the ones due to dislocation loop distributions surrounding cubic inclusions in 3D composite material. In these configurations, the spectral method allows investigating accurately the elastic interactions and image stresses due to dislocation fields in the presence of elastic inhomogeneities.« less

Field Dislocation Mechanics for heterogeneous elastic materials: A numerical spectral approach

DOE PAGES

Djaka, Komlan Senam; Villani, Aurelien; Taupin, Vincent; ...

2017-03-01

Spectral methods using Fast Fourier Transform (FFT) algorithms have recently seen a surge in interest in the mechanics of materials community. The present work addresses the critical question of determining accurate local mechanical fields using FFT methods without artificial fluctuations arising from materials and defects induced discontinuities. Precisely, this work introduces a numerical approach based on intrinsic discrete Fourier transforms for the simultaneous treatment of material discontinuities arising from the presence of dislocations and from elastic stiffness heterogeneities. To this end, the elasto-static equations of the field dislocation mechanics theory for periodic heterogeneous materials are numerically solved with FFT inmore » the case of dislocations in proximity of inclusions of varying stiffness. An optimal intrinsic discrete Fourier transform method is sought based on two distinct schemes. A centered finite difference scheme for differential rules are used for numerically solving the Poisson-type equation in the Fourier space, while centered finite differences on a rotated grid is chosen for the computation of the modified Fourier–Green’s operator associated with the Lippmann–Schwinger-type equation. By comparing different methods with analytical solutions for an edge dislocation in a composite material, it is found that the present spectral method is accurate, devoid of any numerical oscillation, and efficient even for an infinite phase elastic contrast like a hole embedded in a matrix containing a dislocation. The present FFT method is then used to simulate physical cases such as the elastic fields of dislocation dipoles located near the matrix/inclusion interface in a 2D composite material and the ones due to dislocation loop distributions surrounding cubic inclusions in 3D composite material. In these configurations, the spectral method allows investigating accurately the elastic interactions and image stresses due to dislocation fields in the presence of elastic inhomogeneities.« less

A molecular dynamics study of tilt grain boundary resistance to slip and heat transfer in nanocrystalline silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Xiang; Chen, Youping; Xiong, Liming

2014-12-28

We present a molecular dynamics study of grain boundary (GB) resistance to dislocation-mediated slip transfer and phonon-mediated heat transfer in nanocrystalline silicon bicrystal. Three most stable 〈110〉 tilt GBs in silicon are investigated. Under mechanical loading, the nucleation and growth of hexagonal-shaped shuffle dislocation loops are reproduced. The resistances of different GBs to slip transfer are quantified through their constitutive responses. Results show that the Σ3 coherent twin boundary (CTB) in silicon exhibits significantly higher resistance to dislocation motion than the Σ9 GB in glide symmetry and the Σ19 GB in mirror symmetry. The distinct GB strengths are explained bymore » the atomistic details of the dislocation-GB interaction. Under thermal loading, based on a thermostat-induced heat pulse model, the resistances of the GBs to transient heat conduction in ballistic-diffusive regime are characterized. In contrast to the trend found in the dislocation-GB interaction in bicrystal models with different GBs, the resistances of the same three GBs to heat transfer are strikingly different. The strongest dislocation barrier Σ3 CTB is almost transparent to heat conduction, while the dislocation-permeable Σ9 and Σ19 GBs exhibit larger resistance to heat transfer. In addition, simulation results suggest that the GB thermal resistance not only depends on the GB energy but also on the detailed atomic structure along the GBs.« less

Three-dimensional evaluation of gettering ability for oxygen atoms at small-angle tilt boundaries in Czochralski-grown silicon crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ohno, Yutaka, E-mail: yutakaohno@imr.tohoku.ac.jp; Inoue, Kaihei; Fujiwara, Kozo

2015-06-22

Three-dimensional distribution of oxygen atoms at small-angle tilt boundaries (SATBs) in Czochralski-grown p-type silicon ingots was investigated by atom probe tomography combined with transmission electron microscopy. Oxygen gettering along edge dislocations composing SATBs, post crystal growth, was observed. The gettering ability of SATBs would depend both on the dislocation strain and on the dislocation density. Oxygen atoms would agglomerate in the atomic sites under the tensile hydrostatic stress larger than about 2.0 GPa induced by the dislocations. It was suggested that the density of the atomic sites, depending on the tilt angle of SATBs, determined the gettering ability of SATBs.

A polycrystal plasticity model of strain localization in irradiated iron

NASA Astrophysics Data System (ADS)

Barton, Nathan R.; Arsenlis, Athanasios; Marian, Jaime

2013-02-01

At low to intermediate homologous temperatures, the degradation of structural materials performance in nuclear environments is associated with high number densities of nanometric defects produced in irradiation cascades. In polycrystalline ferritic materials, self-interstitial dislocations loops are a principal signature of irradiation damage, leading to a mechanical response characterized by increased yield strengths, decreased total strain to failure, and decreased work hardening as compared to the unirradiated behavior. Above a critical defect concentration, the material deforms by plastic flow localization, giving rise to strain softening in terms of the engineering stress-strain response. Flow localization manifests itself in the form of defect-depleted crystallographic channels, through which all dislocation activity is concentrated. In this paper, we describe the formulation of a crystal plasticity model for pure Fe embedded in a finite element polycrystal simulator and present results of uniaxial tensile deformation tests up to 10% strain. We use a tensorial damage descriptor variable to capture the evolution of the irradiation damage loop subpopulation during deformation. The model is parameterized with detailed dislocation dynamics simulations of tensile tests up to 1.5% deformation of systems containing various initial densities of irradiation defects. The coarse-grained simulations are shown to capture the essential details of the experimental stress response observed in ferritic alloys and steels. Our methodology provides an effective linkage between the defect scale, of the order of one nanometer, and the continuum scale involving multiple grain orientations.

The formation mechanisms of surface nanocrystallites in β-type biomedical TiNbZrFe alloy by surface mechanical attrition treatment

NASA Astrophysics Data System (ADS)

Jin, Lei; Cui, Wenfang; Song, Xiu; Zhou, Lian

2015-08-01

A nanostructured surface layer was successfully performed on a biomedical β-type TiNbZrFe alloy by surface mechanical attrition treatment (SMAT). The results reveal that the surface layer along the depth from treated surface to strain-free matrix could be divided into an outer nanocrystalline layer (0-30 μm), a high-density dislocation region (30-200 μm) and an inner region with low-density dislocations and twins (200-700 μm) when the surface was treated for 60 min. The microhardness of the surface layer is enhanced and increases with increasing treatment time. Although the {1 1 2} <1 1 1> twin coordinates the deformations with dislocations, this coordination only occurs in the low strain area and cannot affect the nanocrystalline formation. The self-nanocrystallization of TiNbZrFe alloy is mainly attributed to dislocation movements. First, the dislocations start to move and easily form dislocation bands along certain crystal directions; then, multiple slips of dislocations gradually form dislocation tangles; after that, high-density dislocation tangles increases, which divides primary grains into many small domain areas. As high strain energies accumulate on the interfaces among these areas, the lattice rotation can be driven between the adjacent small domain areas, finally resulting in a large number of nanocrystalline regions with low or large angle grain boundaries.

Morphology variation, composition alteration and microstructure changes in ion-irradiated 1060 aluminum alloy

NASA Astrophysics Data System (ADS)

Wan, Hao; Si, Naichao; Wang, Quan; Zhao, Zhenjiang

2018-02-01

Morphology variation, composition alteration and microstructure changes in 1060 aluminum irradiated with 50 keV helium ions were characterized by field emission scanning electron microscopy (FESEM) equipped with x-ray elemental scanning, 3D measuring laser microscope and transmission electron microscope (TEM). The results show that, helium ions irradiation induced surface damage and Si-rich aggregates in the surfaces of irradiated samples. Increasing the dose of irradiation, more damages and Si-rich aggregates would be produced. Besides, defects such as dislocations, dislocation loops and dislocation walls were the primary defects in the ion implanted layer. The forming of surface damages were related with preferentially sputtering of Al component. While irradiation-enhanced diffusion and irradiation-induced segregation resulted in the aggregation of impurity atoms. And the aggregation ability of impurity atoms were discussed based on the atomic radius, displacement energy, lattice binding energy and surface binding energy.

Crystal Plasticity Model of Reactor Pressure Vessel Embrittlement in GRIZZLY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chakraborty, Pritam; Biner, Suleyman Bulent; Zhang, Yongfeng

2015-07-01

The integrity of reactor pressure vessels (RPVs) is of utmost importance to ensure safe operation of nuclear reactors under extended lifetime. Microstructure-scale models at various length and time scales, coupled concurrently or through homogenization methods, can play a crucial role in understanding and quantifying irradiation-induced defect production, growth and their influence on mechanical behavior of RPV steels. A multi-scale approach, involving atomistic, meso- and engineering-scale models, is currently being pursued within the GRIZZLY project to understand and quantify irradiation-induced embrittlement of RPV steels. Within this framework, a dislocation-density based crystal plasticity model has been developed in GRIZZLY that captures themore » effect of irradiation-induced defects on the flow stress behavior and is presented in this report. The present formulation accounts for the interaction between self-interstitial loops and matrix dislocations. The model predictions have been validated with experiments and dislocation dynamics simulation.« less

Effect of He+ fluence on surface morphology and ion-irradiation induced defect evolution in 7075 aluminum alloys

NASA Astrophysics Data System (ADS)

Ni, Kai; Ma, Qian; Wan, Hao; Yang, Bin; Ge, Junjie; Zhang, Lingyu; Si, Naichao

2018-02-01

The evolution of microstructure for 7075 aluminum alloys with 50 Kev helium ions irradiation were studied by using optical microscopy (OM), scanning electron microscopy (SEM), x-ray diffraction (XRD) and transmission electron microscopy (TEM). The fluences of 1 × 1015, 1 × 1016 and 1 × 1017 ions cm-2 were selected, and irradiation experiments were conducted at room temperatures. The transmission process of He+ ions was simulated by using SRIM software, including distribution of ion ranges, energy losses and atomic displacements. Experimental results show that irradiated pits and micro-cracks were observed on irradiation sample surface, and the size of constituent particles (not including Mg2Si) decreased with the increasing dose. The x-ray diffraction results of the pair of peaks is better resolved in irradiated samples might indicate that the stressed structure consequence due to crystal defects (vacancies and interstitials) after He+ implantation. TEM observation indicated that the density of MgZn2 phase was significantly reduced after helium ion irradiation which is harmful to strength. Besides, the development of compressive stress produced a large amount of dislocation defects in the 1015 ions cm-2 sample. Moreover, higher fluence irradiation produced more dislocations in sample. At fluence of 1016 ions cm-2, dislocation wall formed by dislocation slip and aggregation in the interior of grains, leading to the refinement of these grains. As fluence increased to 1017 ions cm-2, dislocation loops were observed in pinned dislocation. Moreover, dislocation as effective defect sink, irradiation-induced vacancy defects aggregated to these sinks, and resulted in the formation of helium bubbles in dislocation.

High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

2016-12-01

We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2-22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the system about 700-900 K are optimal parameters for production of high-quality layers of copper on the aluminum surface. These conditions provide both a good adhesion and a less degree of the plastic deformation. At the same time, higher impact velocities can be used for combined treatment consisting of both the plastic deformation and the coating.

Modeling collective behavior of dislocations in crystalline materials

NASA Astrophysics Data System (ADS)

Varadhan, Satya N.

Elastic interaction of dislocations leads to collective behavior and determines plastic response at the mesoscale. Notable characteristics of mesoscale plasticity include the formation of dislocation patterns, propagative instability phenomena due to strain aging such as the Luders and Portevin-Le Chatelier effects, and size-dependence of low stress. This work presents a unified approach to modeling collective behavior based on mesoscale field dislocation mechanics and crystal plasticity, using constitutive models with physical basis. Successful application is made to: compression of a bicrystal, where "smaller is stronger"---the flow stress increases as the specimen size is reduced; torsional creep of ice single crystals, where the plastic strain rate increases with time under constant applied torque; strain aging in a single crystal alloy, where the transition from homogeneous deformation to intermittent bands to continuous band is captured as the applied deformation rate is increased. A part of this work deals with the kinematics of dislocation density evolution. An explicit Galerkin/least-squares formulation is introduced for the quasilinear evolution equation, which leads to a symmetric and well-conditioned system of equations with constant coefficients, making it attractive for large-scale problems. It is shown that the evolution equation simplifies to the Hamilton-Jacobi equations governing geometric optics and level set methods in the following physical contexts: annihilation of dislocations, expansion of a polygonal dislocation loop and operation of a Frank-Read source. The weak solutions to these equations are not unique, and the numerical method is able to capture solutions corresponding to shock as well as expansion fans.

Effects of gap junction inhibition on contraction waves in the murine small intestine in relation to coupled oscillator theory.

PubMed

Parsons, Sean P; Huizinga, Jan D

2015-02-15

Waves of contraction in the small intestine correlate with slow waves generated by the myenteric network of interstitial cells of Cajal. Coupled oscillator theory has been used to explain steplike gradients in the frequency (frequency plateaux) of contraction waves along the length of the small intestine. Inhibition of gap junction coupling between oscillators should lead to predictable effects on these plateaux and the wave dislocation (wave drop) phenomena associated with their boundaries. It is these predictions that we wished to test. We used a novel multicamera diameter-mapping system to measure contraction along 25- to 30-cm lengths of murine small intestine. There were typically two to three plateaux per length of intestine. Dislocations could be limited to the wavefronts immediately about the terminated wave, giving the appearance of a three-pronged fork, i.e., a fork dislocation; additionally, localized decreases in velocity developed across a number of wavefronts, ending with the terminated wave, which could appear as a fork, i.e., slip dislocations. The gap junction inhibitor carbenoxolone increased the number of plateaux and dislocations and decreased contraction wave velocity. In some cases, the usual frequency gradient was reversed, with a plateau at a higher frequency than its proximal neighbor; thus fork dislocations were inverted, and the direction of propagation was reversed. Heptanol had no effect on the frequency or velocity of contractions but did reduce their amplitude. To understand intestinal motor patterns, the pacemaker network of the interstitial cells of Cajal is best evaluated as a system of coupled oscillators. Copyright © 2015 the American Physiological Society.

Effects of Neutron Irradiation and Post-irradiation Annealing on the Microstructure of HT-UPS Stainless Steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Chi; Chen, Wei-Ying; Zhang, Xuan

Microstructural changes resulted from neutron irradiation and post-irradiation annealing in a high-temperature ultra-fine precipitate strengthened (HT-UPS) stainless steel were characterized using transmission electron microscopy (TEM) and atom probe tomography (APT). Three HT-UPS samples were neutron-irradiated to 3 dpa at 500 °C, and after irradiation, two of them were annealed for 1 h at 600 °C and 700 °C, respectively. Frank dislocation loops were the dominant defect structure in both the as-irradiated and 600 °C post-irradiation-annealed (PIAed) samples, and the loop sizes and densities were similar in these two samples. Unfaulted dislocation loops were observed in the 700 °C PIAed sample, and the loop density was greatly reducedmore » in comparison with that in the as-irradiated sample. Nano-sized MX precipitates were observed under TEM in the 700 °C PIAed sample, but not in the 600 °C PIAed or the as-irradiated samples. The titanium-rich clusters were identified in all three samples using APT. The post-irradiation annealing (PIA) caused the growth of the Ti-rich clusters with a stronger effect at 700 °C than at 600 °C. The irradiation caused elemental segregations at the grain boundary and the grain interior, and the grain boundary segregation behavior is consistent with observations in other irradiated austenitic steels. APT results showed that PIA reduced the magnitude of irradiation induced segregations.« less

Investigation of defect clusters in ion-irradiated Ni and NiCo using diffuse X-ray scattering and electron microscopy

DOE PAGES

Olsen, Raina J.; Jin, Ke; Lu, Chenyang; ...

2015-11-23

The nature of defect clusters in Ni and Nimore » $$_{50}$$Co$$_{50}$$ (NiCo) irradiated at room temperature with 2–16 MeV Ni ions is studied using asymptotic diffuse X-ray scattering and transmission electron microscopy (TEM). Analysis of the scattering data provides separate size distributions for vacancy and interstitial type defect clusters, showing that both types of defect clusters have a smaller size and higher density in NiCo than in Ni. Diffuse scattering results show good quantitative agreement with TEM results for cluster sizes greater than 4 nm diameter, but find that the majority of vacancy clusters are under 2 nm in NiCo, which, if not detected, would lead to the conclusion that defect density was actually lower in the alloy. Interstitial dislocation loops and stacking fault tetrahedra are identified by TEM. Lastly comparison of diffuse scattering lineshapes to those calculated for dislocation loops and SFTs indicates that most of the vacancy clusters are SFTs.« less

Coupled modeling of the competitive gettering of transition metals and impact on performance of lifetime sensitive devices

NASA Astrophysics Data System (ADS)

Yazdani, Armin; Chen, Renyu; Dunham, Scott T.

2017-03-01

This work models competitive gettering of metals (Cu, Ni, Fe, Mo, and W) by boron, phosphorus, and dislocation loops, and connects those results directly to device performance. Density functional theory calculations were first performed to determine the binding energies of metals to the gettering sites, and based on that, continuum models were developed to model the redistribution and trapping of the metals. Our models found that Fe is most strongly trapped by the dislocation loops while Cu and Ni are most strongly trapped by the P4V clusters formed in high phosphorus concentrations. In addition, it is found that none of the mentioned gettering sites are effective in gettering Mo and W. The calculated metal redistribution along with the associated capture cross sections and trap energy levels are passed to device simulation via the recombination models to calculate carrier lifetime and the resulting device performance. Thereby, a comprehensive and predictive TCAD framework is developed to optimize the processing conditions to maximize performance of lifetime sensitive devices.

Effect of Ni +-ION bombardment on nickel and binary nickel alloys

NASA Astrophysics Data System (ADS)

Roarty, K. B.; Sprague, J. A.; Johnson, R. A.; Smidt, F. A.

1981-03-01

Pure nickel and four binary nickel alloys have been subjected to high energy Ni ion bombardment at 675, 625 and 525°C. After irradiation, each specimen was studied by transmission electron microscopy. The pure nickel control was found to swell appreciably (1 to 5%) and the Ni-Al and the Ni-Ti samples were found to swell at all temperatures, but to a lesser degree (0.01 to 0.35%). The Ni-Mo contained a significant density of voids only at 525° C, while swelling was suppressed at all temperatures in the Ni-Si alloy. The dislocation structure progressed from loops to tangles as temperature increased in all materials except the Ni-Ti, in which there was an absence of loops at all temperatures. Dislocation densities decreased as temperature increased in all samples. These results do not correlate well with the relative behavior of the same alloys observed after neutron irradiation at 455°C. The differences between these two sets of data appear to be caused by different mechanisms controlling void nucleation in ion and neutron irradiation of these alloys.

Effects of dislocations on polycrystal anelasticity

NASA Astrophysics Data System (ADS)

Sasaki, Y.; Takei, Y.; McCarthy, C.; Suzuki, A.

2017-12-01

Effects of dislocations on the seismic velocity and attenuation have been poorly understood, because only a few experimental studies have been performed [Guéguen et al., 1989; Farla et al., 2012]. By using organic borneol as a rock analogue, we measured dislocation-induced anelasticity accurately over a broad frequency range. We first measured the flow law of borneol aggregates by uniaxial compression tests under a confining pressure of 0.8 MPa. A transition from diffusion creep (n = 1) to dislocation creep (n = 5) was captured at about σ = 1 MPa (40°C-50°C). After deforming in the dislocation creep regime, sample microstructure showed irregular grain shape consistent with grain boundary migration. Next, we conducted three creep tests at σ = 0.27 MPa (diffusion creep regime), σ = 1.3 MPa and σ = 1.9 MPa (dislocation creep regime) on the same sample in increasing order, and measured Young's modulus E and attenuation Q-1 after each creep test by forced oscillation tests. The results show that as σ increased, E decreased and Q-1 increased. These changes induced by dislocations, however, almost fully recovered during the forced oscillation tests performed for about two weeks under a small stress (σ = 0.27 MPa) due to the dislocation recovery (annihilation). In order to constrain the time scale of the dislocation-induced anelastic relaxation, we further measured Young's modulus E at ultrasonic frequency before and after the dislocation creep and found that E at 106 Hz is not influenced by dislocations. Because E at 100 Hz is reduced by dislocations by 10%, the dislocation-induced anelastic relaxation occurs mostly between 102-106 Hz which is at a higher frequency than grain-boundary-induced anelasticity. To avoid dislocation recovery during the anelasticity measurement, we are now trying to perform an in-situ measurement of anelasticity while simultaneously deforming under a high stress associated with dislocation creep. The combination of persistent creep stress with small amplitude perturbations is similar to a seismic wave traveling through a region of active tectonic deformation.

Inelastic deformation and phenomenological modeling of aluminum including transient effect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, C.W.

A review was made of several phenomenological theories which have recently been proposed to describe the inelastic deformation of crystalline solids. Hart's deformation theory has many advantages, but there are disagreements with experimental deformation at stress levels below yield. A new inelastic deformation theory was proposed, introducing the concept of microplasticity. The new model consists of five deformation elements: a friction element representing a deformation element controlled by dislocation glide, a nonrecoverable plastic element representing the dislocation leakage rate over the strong dislocation barriers, a microplastic element representing the dislocation leakage rate over the weak barriers, a short range anelasticmore » spring element representing the recoverable anelastic strain stored by piled-up dislocations against the weak barriers, and a long range anelastic spring element representing the recoverable strain stored by piled-up dislocations against the strong barriers. Load relaxation and tensile testing in the plastic range were used to determine the material parameters for the plastic friction elements. The short range and long range anelastic moduli and the material parameters for the kinetics of microplasticity were determined by the measurement of anelastic loops and by performing load relaxation tests in the microplastic region. Experimental results were compared with a computer simulation of the transient deformation behavior of commercial purity aluminum. An attempt was made to correlate the material parameters and the microstructure from TEM. Stability of material parameters during inelastic deformation was discussed and effect of metallurgical variables was examined experimentally. 71 figures, 5 tables.« less

Ion channeling study of defects in compound crystals using Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Turos, A.; Jozwik, P.; Nowicki, L.; Sathish, N.

2014-08-01

Ion channeling is a well-established technique for determination of structural properties of crystalline materials. Defect depth profiles have been usually determined basing on the two-beam model developed by Bøgh (1968) [1]. As long as the main research interest was focused on single element crystals it was considered as sufficiently accurate. New challenge emerged with growing technological importance of compound single crystals and epitaxial heterostructures. Overlap of partial spectra due to different sublattices and formation of complicated defect structures makes the two beam method hardly applicable. The solution is provided by Monte Carlo computer simulations. Our paper reviews principal aspects of this approach and the recent developments in the McChasy simulation code. The latter made it possible to distinguish between randomly displaced atoms (RDA) and extended defects (dislocations, loops, etc.). Hence, complex defect structures can be characterized by the relative content of these two components. The next refinement of the code consists of detailed parameterization of dislocations and dislocation loops. Defect profiles for variety of compound crystals (GaN, ZnO, SrTiO3) have been measured and evaluated using the McChasy code. Damage accumulation curves for RDA and extended defects revealed non monotonous defect buildup with some characteristic steps. Transition to each stage is governed by the different driving force. As shown by the complementary high resolution XRD measurements lattice strain plays here the crucial role and can be correlated with the concentration of extended defects.

Movement of basal plane dislocations in GaN during electron beam irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yakimov, E. B.; National University of Science and Technology MISiS, Leninskiy pr. 4, Moscow 119049; Vergeles, P. S.

The movement of basal plane segments of dislocations in low-dislocation-density GaN films grown by epitaxial lateral overgrowth as a result of irradiation with the probing beam of a scanning electron microscope was detected by means of electron beam induced current. Only a small fraction of the basal plane dislocations was susceptible to such changes and the movement was limited to relatively short distances. The effect is explained by the radiation enhanced dislocation glide for dislocations pinned by two different types of pinning sites: a low-activation-energy site and a high-activation-energy site. Only dislocation segments pinned by the former sites can bemore » moved by irradiation and only until they meet the latter pinning sites.« less

Atomistically determined phase-field modeling of dislocation dissociation, stacking fault formation, dislocation slip, and reactions in fcc systems

NASA Astrophysics Data System (ADS)

Rezaei Mianroodi, Jaber; Svendsen, Bob

2015-04-01

The purpose of the current work is the development of a phase field model for dislocation dissociation, slip and stacking fault formation in single crystals amenable to determination via atomistic or ab initio methods in the spirit of computational material design. The current approach is based in particular on periodic microelasticity (Wang and Jin, 2001; Bulatov and Cai, 2006; Wang and Li, 2010) to model the strongly non-local elastic interaction of dislocation lines via their (residual) strain fields. These strain fields depend in turn on phase fields which are used to parameterize the energy stored in dislocation lines and stacking faults. This energy storage is modeled here with the help of the "interface" energy concept and model of Cahn and Hilliard (1958) (see also Allen and Cahn, 1979; Wang and Li, 2010). In particular, the "homogeneous" part of this energy is related to the "rigid" (i.e., purely translational) part of the displacement of atoms across the slip plane, while the "gradient" part accounts for energy storage in those regions near the slip plane where atomic displacements deviate from being rigid, e.g., in the dislocation core. Via the attendant global energy scaling, the interface energy model facilitates an atomistic determination of the entire phase field energy as an optimal approximation of the (exact) atomistic energy; no adjustable parameters remain. For simplicity, an interatomic potential and molecular statics are employed for this purpose here; alternatively, ab initio (i.e., DFT-based) methods can be used. To illustrate the current approach, it is applied to determine the phase field free energy for fcc aluminum and copper. The identified models are then applied to modeling of dislocation dissociation, stacking fault formation, glide and dislocation reactions in these materials. As well, the tensile loading of a dislocation loop is considered. In the process, the current thermodynamic picture is compared with the classical mechanical one as based on the Peach-Köhler force.

Modeling of dislocation channel width evolution in irradiated metals

DOE PAGES

Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

2017-11-08

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. And based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopymore » (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Furthermore, examinations of the effect of the so-called “source-broadening” mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel without affecting channel dependence on the given parameters.« less

Modeling of dislocation channel width evolution in irradiated metals

NASA Astrophysics Data System (ADS)

Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

2018-02-01

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. Based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopy (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Further, examinations of the effect of the so-called "source-broadening" mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel without affecting channel dependence on the given parameters.

Modeling of dislocation channel width evolution in irradiated metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. And based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopymore » (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Furthermore, examinations of the effect of the so-called “source-broadening” mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel without affecting channel dependence on the given parameters.« less

TEM study of {beta} Prime precipitate interaction mechanisms with dislocations and {beta} Prime interfaces with the aluminium matrix in Al-Mg-Si alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teichmann, Katharina; Marioara, Calin D.; Andersen, Sigmund J.

The interaction mechanisms between dislocations and semi-coherent, needle-shaped {beta} Prime precipitates in Al-Mg-Si alloys have been studied by High Resolution Transmission Electron Microscopy (HRTEM). Dislocation loops appearing as broad contrast rings around the precipitate cross-sections were identified in the Al matrix. A size dependency of the interaction mechanism was observed; the precipitates were sheared when the longest dimension of their cross-section was shorter than approximately 15 nm, and looped otherwise. A more narrow ring located between the Al matrix and bulk {beta} Prime indicates the presence of a transition interface layer. Together with the bulk {beta} Prime structure, this wasmore » further investigated by High Angle Annular Dark Field Scanning TEM (HAADF-STEM). In the bulk {beta} Prime a higher intensity could be correlated with a third of the Si-columns, as predicted from the published structure. The transition layer incorporates Si columns in the same arrangement as in bulk {beta} Prime , although it is structurally distinct from it. The Z-contrast information and arrangement of these Si-columns demonstrate that they are an extension of the Si-network known to structurally connect all the precipitate phases in the Al-Mg-Si(-Cu) system. The width of the interface layer was estimated to about 1 nm. - Highlights: Black-Right-Pointing-Pointer {beta} Prime is found to be looped at sizes larger than 15 nm (cross section diameter). Black-Right-Pointing-Pointer {beta} Prime is found to be sheared at sizes smaller than 15 nm (cross section diameter). Black-Right-Pointing-Pointer The recently determined crystal structure of {beta} Prime is confirmed by HAADF-STEM. Black-Right-Pointing-Pointer Between {beta} Prime and the Al-matrix a transition layer of about 1 nm is existent. Black-Right-Pointing-Pointer The {beta} Prime /matrix layer is structurally distinct from bulk {beta} Prime and the aluminium matrix.« less

Three-dimensional formulation of dislocation climb

NASA Astrophysics Data System (ADS)

Gu, Yejun; Xiang, Yang; Quek, Siu Sin; Srolovitz, David J.

2015-10-01

We derive a Green's function formulation for the climb of curved dislocations and multiple dislocations in three-dimensions. In this new dislocation climb formulation, the dislocation climb velocity is determined from the Peach-Koehler force on dislocations through vacancy diffusion in a non-local manner. The long-range contribution to the dislocation climb velocity is associated with vacancy diffusion rather than from the climb component of the well-known, long-range elastic effects captured in the Peach-Koehler force. Both long-range effects are important in determining the climb velocity of dislocations. Analytical and numerical examples show that the widely used local climb formula, based on straight infinite dislocations, is not generally applicable, except for a small set of special cases. We also present a numerical discretization method of this Green's function formulation appropriate for implementation in discrete dislocation dynamics (DDD) simulations. In DDD implementations, the long-range Peach-Koehler force is calculated as is commonly done, then a linear system is solved for the climb velocity using these forces. This is also done within the same order of computational cost as existing discrete dislocation dynamics methods.

Theory of interacting dislocations on cylinders.

PubMed

Amir, Ariel; Paulose, Jayson; Nelson, David R

2013-04-01

We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The interaction energy and forces between dislocations are solved analytically, and analyzed asymptotically. The results of continuum elastic theory agree well with numerical simulations on finite lattices even for relatively small systems. Isolated dislocations on a cylinder act like grain boundaries. With colloidal crystals in mind, we show that saddle points are created by a Peach-Koehler force on the dislocations in the circumferential direction, causing dislocation pairs to unbind. The thermal nucleation rate of dislocation unbinding is calculated, for an arbitrary mobility tensor and external stress, including the case of a twist-induced Peach-Koehler force along the cylinder axis. Surprisingly rich phenomena arise for dislocations on cylinders, despite their vanishing Gaussian curvature.

Antisymmetric vortex interactions in the wake behind a step cylinder

NASA Astrophysics Data System (ADS)

Tian, Cai; Jiang, Fengjian; Pettersen, Bjørnar; Andersson, Helge I.

2017-10-01

Flow around a step cylinder at the Reynolds number 150 was simulated by directly solving the full Navier-Stokes equations. The configuration was adopted from the work of Morton and Yarusevych ["Vortex shedding in the wake of a step cylinder," Phys. Fluids 22, 083602 (2010)], in which the wake dynamics were systematically described. A more detailed investigation of the vortex dislocation process has now been performed. Two kinds of new loop vortex structures were identified. Additionally, antisymmetric vortex interactions in two adjacent vortex dislocation processes were observed and explained. The results in this letter serve as a supplement for a more thorough understanding of the vortex dynamics in the step cylinder wake.

Nano-size defects in arsenic-implanted HgCdTe films: a HRTEM study

NASA Astrophysics Data System (ADS)

Bonchyk, O. Yu.; Savytskyy, H. V.; Swiatek, Z.; Morgiel, Y.; Izhnin, I. I.; Voitsekhovskii, A. V.; Korotaev, A. G.; Mynbaev, K. D.; Fitsych, O. I.; Varavin, V. S.; Dvoretsky, S. A.; Marin, D. V.; Yakushev, M. V.

2018-02-01

Radiation damage and its transformation under annealing were studied with bright-field and high-resolution transmission electron microscopy for arsenic-implanted HgCdTe films with graded-gap surface layers. In addition to typical highly defective layers in as-implanted material, a 50 nm-thick sub-surface layer with very low defect density was observed. The main defects in other layers after implantation were dislocation loops, yet after arsenic activation annealing, the dominating defects were single dislocations. Transport (from depth to surface), transformation and annihilation of radiation-induced defects were observed as a result of annealing, with the depth with the maximum defect density decreasing from 110 to 40 nm.

Theoretical investigation of microstructure evolution and deformation of zirconium under neutron irradiation

DOE PAGES

Barashev, A. V.; Golubov, S. I.; Stoller, R. E.

2015-06-01

We studied the radiation growth of zirconium using a reaction–diffusion model which takes into account intra-cascade clustering of self-interstitial atoms and one-dimensional diffusion of interstitial clusters. The observed dose dependence of strain rates is accounted for by accumulation of sessile dislocation loops during irradiation. Moreover, the computational model developed and fitted to available experimental data is applied to study deformation of Zr single crystals under irradiation up to hundred dpa. Finally, the effect of cold work and the reasons for negative prismatic strains and co-existence of vacancy and interstitial loops are elucidated.

Simplified ab externo fixation technique to treat late dislocation of scleral-sutured polymethyl methacrylate intraocular lenses

PubMed Central

Lyu, J; Zhao, P-q

2016-01-01

Purpose We report a simplified ab externo scleral fixation technique to manage the late dislocation of scleral-sutured polymethyl methacrylate (PMMA) intraocular lenses (IOLs) in the absence of capsule support. Materials and methods The technique was performed on five eyes of five patients. Symmetrical scleral pocket tunnels without conjunctival peritomy were created. An anterior vitrectomy via a limbal approach with an anterior chamber infusion or a 3-port pars plana vitrectomy was performed to rescue the dislocated IOL. A long straight suture needle and 23-gauge vitreoretinal forceps were used to conveniently reposition the IOL and loop sutures through the IOL positioning eyelets without externalizing IOL haptics. The outside suture knots were buried under the roof of the scleral tunnels. Results The patients were followed for 5–14 months after surgery. All the operated eyes quickly recovered with negligible corneal endothelial cell loss and mild inflammation. Visual acuity improvement and IOL centration were achieved in all eyes with no major complications. Conclusion The simplified ab externo scleral fixation technique offers an effective and minimally invasive surgical alternative to salvage dislocated previously scleral-sutured PMMA IOLs. PMID:26795420

Simplified ab externo fixation technique to treat late dislocation of scleral-sutured polymethyl methacrylate intraocular lenses.

PubMed

Lyu, J; Zhao, P-Q

2016-05-01

PurposeWe report a simplified ab externo scleral fixation technique to manage the late dislocation of scleral-sutured polymethyl methacrylate (PMMA) intraocular lenses (IOLs) in the absence of capsule support.Materials and methodsThe technique was performed on five eyes of five patients. Symmetrical scleral pocket tunnels without conjunctival peritomy were created. An anterior vitrectomy via a limbal approach with an anterior chamber infusion or a 3-port pars plana vitrectomy was performed to rescue the dislocated IOL. A long straight suture needle and 23-gauge vitreoretinal forceps were used to conveniently reposition the IOL and loop sutures through the IOL positioning eyelets without externalizing IOL haptics. The outside suture knots were buried under the roof of the scleral tunnels.ResultsThe patients were followed for 5-14 months after surgery. All the operated eyes quickly recovered with negligible corneal endothelial cell loss and mild inflammation. Visual acuity improvement and IOL centration were achieved in all eyes with no major complications.ConclusionThe simplified ab externo scleral fixation technique offers an effective and minimally invasive surgical alternative to salvage dislocated previously scleral-sutured PMMA IOLs.

Etude par émission acoustique de la dynamique des dislocations pendant la déformation cyclique de polycristaux d'aluminium

NASA Astrophysics Data System (ADS)

Slimani, A.; Fleischmann, P.; Fougères, R.

1992-06-01

The cyclic plasticity of 5N polycrystalline aluminium have been studied at room temperature by measuring the continuous acoustic emission (A.E.) due to dislocations movements in the metal. In this study, original data have been obtained in the understanding of continuous A.E. sources. In comparison with classical interpretation given in the literature, the fact that dislocations are arranged according to a dislocation cell structure from the first cycle has been included in the analysis of the results. From this, it has been shown that the amplitude of the A.E. signal is not directly connected with the plastic strain rate prescribed to the fatigue sample and that the probability density function of dislocation loops created during the cycling can be determined. La plasticité cyclique de l'AI 5N polycristallin a été étudiée à la température ambiante à partir de mesures d'émission acoustique continue (E.A.). L'application de la technique de l'E.A. nous a permis d'obtenir des données originales quant aux mécanismes sources d'E.A. Par rapport aux interprétations classiques de la littérature, nous avons fait intervenir le fait que, dès les premiers cycles, une structure cellulaire de dislocations est établie. Nous montrons que l'amplitude du signal d'E.A. n'est plus liée directement à la vitesse de déformation plastique macroscopique. A partir de cette donnée, l'analyse des résultats d'E.A. permet d'obtenir des informations sur la fonction distribution des boucles de dislocations créées au cours de la déformation cyclique.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Shenyang; Setyawan, Wahyu; Joshi, Vineet V.

Xe gas bubble superlattice formation is observed in irradiated uranium–10 wt% molybdenum (U10Mo) fuels. However, the thermodynamic properties of the bubbles (the relationship among bubble size, equilibrium Xe concentration, and bubble pressure) and the mechanisms of bubble growth and superlattice formation are not well known. In this work, molecular dynamics is used to study these properties and mechanisms. The results provide important inputs for quantitative mesoscale models of gas bubble evolution and fuel performance. In the molecular dynamics simulations, the embedded-atom method (EAM) potential of U10Mo-Xe (Smirnova et al. 2013) is employed. Initial gas bubbles with low Xe concentration aremore » generated in a U10Mo single crystal. Then Xe atom atoms are continuously added into the bubbles, and the evolution of pressure and dislocation emission around the bubbles is analyzed. The relationship between pressure, equilibrium Xe concentration, and radius of the bubbles is established. It was found that the gas bubble growth is accompanied by partial dislocation emission, which results in a star-shaped dislocation structure and an anisotropic stress field. The emitted partial dislocations have a Burgers vector along the <111> direction and a slip plane of (11-2). Dislocation loop punch-out was not observed. A tensile stress was found along <110> directions around the bubble, favoring the nucleation and formation of a face-centered cubic bubble superlattice in body-centered cubic U10Mo fuels.« less

Microstructural evolution of pure tungsten neutron irradiated with a mixed energy spectrum

NASA Astrophysics Data System (ADS)

Koyanagi, Takaaki; Kumar, N. A. P. Kiran; Hwang, Taehyun; Garrison, Lauren M.; Hu, Xunxiang; Snead, Lance L.; Katoh, Yutai

2017-07-01

Microstructures of single-crystal bulk tungsten (W) and polycrystalline W foil with a strong grain texture were investigated using transmission electron microscopy following neutron irradiation at ∼90-800 °C to 0.03-4.6 displacements per atom (dpa) in the High Flux Isotope Reactor with a mixed energy spectrum. The dominant irradiation defects were dislocation loops and small clusters at ∼90 °C. Additional voids were formed in W irradiated at above 460 °C. Voids and precipitates involving transmutation rhenium and osmium were the dominant defects at more than ∼1 dpa. We found a new phenomenon of microstructural evolution in irradiated polycrystalline W: Re- and Os-rich precipitation along grain boundaries. Comparison of results between this study and previous studies using different irradiation facilities revealed that the microstructural evolution of pure W is highly dependent on the neutron energy spectrum in addition to the irradiation temperature and dose.

Surface alloying of aluminum with molybdenum by high-current pulsed electron beam

NASA Astrophysics Data System (ADS)

Xia, Han; Zhang, Conglin; Lv, Peng; Cai, Jie; Jin, Yunxue; Guan, Qingfeng

2018-02-01

The surface alloying of pre-coated molybdenum (Mo) film on aluminum (Al) substrate by high-current pulsed electron beam (HCPEB) was investigated. The microstructure and phase analysis were conducted by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results show that Mo particles were dissolved into Al matrix to form alloying layer, which was composed of Mo, Al and acicular or equiaxed Al5Mo phases after surface alloying. Meanwhile, various structure defects such as dislocation loops, high-density dislocations and dislocation walls were observed in the alloying surface. The corrosion resistance was tested by using potentiodynamic polarization curves and electrochemical impedance spectra (EIS). Electrochemical results indicate that all the alloying samples had better corrosion resistance in 3.5 wt% NaCl solution compared to initial sample. The excellent corrosion resistance is mainly attributed to the combined effect of the structure defects and the addition of Mo element to form a more stable passive film.

Manipulation of domain-wall solitons in bi- and trilayer graphene

NASA Astrophysics Data System (ADS)

Jiang, Lili; Wang, Sheng; Shi, Zhiwen; Jin, Chenhao; Utama, M. Iqbal Bakti; Zhao, Sihan; Shen, Yuen-Ron; Gao, Hong-Jun; Zhang, Guangyu; Wang, Feng

2018-01-01

Topological dislocations and stacking faults greatly affect the performance of functional crystalline materials1-3. Layer-stacking domain walls (DWs) in graphene alter its electronic properties and give rise to fascinating new physics such as quantum valley Hall edge states4-10. Extensive efforts have been dedicated to the engineering of dislocations to obtain materials with advanced properties. However, the manipulation of individual dislocations to precisely control the local structure and local properties of bulk material remains an outstanding challenge. Here we report the manipulation of individual layer-stacking DWs in bi- and trilayer graphene by means of a local mechanical force exerted by an atomic force microscope tip. We demonstrate experimentally the capability to move, erase and split individual DWs as well as annihilate or create closed-loop DWs. We further show that the DW motion is highly anisotropic, offering a simple approach to create solitons with designed atomic structures. Most artificially created DW structures are found to be stable at room temperature.

The effect of isolated dislocations on substrate and device properties in low-dislocation czochralski GaAs

NASA Astrophysics Data System (ADS)

Hunter, A. T.; Kimura, H.; Olsen, H. M.; Winston, H. V.

1986-07-01

Czochralski GaAs grown with In incorporated into the melt has large regions with fewer than 100 cm-2 dislocations. We have examined the effect of these dislocations on substrate and device properties. Infrared transmission images reveal dark filaments of high EL2 concentration a few tens of microns in diameter surrounding dislocations, Cathodo and photoluminescence images show orders of magnitude contrast in band-edge luminescence intensity near dislocations. Single dislocations appear to be surrounded by bright rings ˜200 μm in diameter in luminescence images, with dark spots 50 to 75 μm across centered on the dislocation. More complex luminescence structures with larger dark regions (˜150 μ across) and central bright spots are centered on small dislocation clusters. Differences in lifetime of photogenerated electrons or holes are the most likely cause of the luminescence contrast. Anneals typical of our post-implant processing substantially lower the luminescence contrast, suggesting the defect lowering the lifetime is removed by annealing. This may partially explain why we do not observe any effect of dislocation proximity on the properties of devices made in the material, in spite of the enormous luminescence contrast observed near dislocations.

Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals

NASA Astrophysics Data System (ADS)

Dudarev, S. L.; Ma, Pui-Wai

2018-03-01

Density functional theory (DFT) calculations show that self-interstitial atom (SIA) defects in nonmagnetic body-centered-cubic (bcc) metals adopt strongly anisotropic configurations, elongated in the <111 > direction [S. Han et al., Phys. Rev. B 66, 220101 (2002), 10.1103/PhysRevB.66.220101; D. Nguyen-Manh et al., Phys. Rev. B 73, 020101 (2006), 10.1103/PhysRevB.73.020101; P. M. Derlet et al., Phys. Rev. B 76, 054107 (2007), 10.1103/PhysRevB.76.054107; S. L. Dudarev, Annu. Rev. Mater. Res. 43, 35 (2013), 10.1146/annurev-matsci-071312-121626]. Elastic distortions, associated with such anisotropic atomic structures, appear similar to distortions around small prismatic dislocation loops, although the extent of this similarity has never been quantified. We derive analytical formulas for the dipole tensors of SIA defects, which show that, in addition to the prismatic dislocation looplike character, the elastic field of a SIA defect also has a significant isotropic dilatation component. Using empirical potentials and DFT calculations, we parametrize dipole tensors of <111 > defects for all the nonmagnetic bcc transition metals. This enables a quantitative evaluation of the energy of elastic interaction between the defects, which also shows that in a periodic three-dimensional simple cubic arrangement of crowdions, long-range elastic interactions between a defect and all its images favor a <111 > orientation of the defect.

Dislocation Dissociation Strongly Influences on Frank—Read Source Nucleation and Microplasticy of Materials with Low Stacking Fault Energy

NASA Astrophysics Data System (ADS)

Huang, Min-Sheng; Zhu, Ya-Xin; Li, Zhen-Huan

2014-04-01

The influence of dislocation dissociation on the evolution of Frank—Read (F-R) sources is studied using a three-dimensional discrete dislocation dynamics simulation (3D-DDD). The classical Orowan nucleation stress and recently proposed Benzerga nucleation time models for F-R sources are improved. This work shows that it is necessary to introduce the dislocation dissociation scheme into 3D-DDD simulation, especially for simulations on micro-plasticity of small sized materials with low stacking fault energy.

Effet Bauschinger lors de la plasticité cyclique de l'aluminium pur monocristallin

NASA Astrophysics Data System (ADS)

Alhamany, A.; Chicois, J.; Fougères, R.; Hamel, A.

1992-08-01

This paper is concerned with the study of microscopic mechanisms which control the cyclic deformation of pure aluminium and especially with the analysis of the Bauschinger effect which appears in aluminium single crystals deformed by cyclic straining. Fatigue tests are performed on Al single crystals with the crystal axis parallel to [ overline{1}23] at room temperature, at plastic shear strain amplitudes in the range from 10^{-4} to 3× 10^{-3}. Mechanical saturation is not obtained at any strain level. Instead, a hardening-softening-secondary hardening sequence is found. The magnitude of the Bauschinger effect as the difference between yield stresses in traction and in compression, changes all along the fatigue loop and during the fatigue test. The Bauschinger effect disappears at two points of the fatigue loop, one in the traction part, the other in the compression one. At these points, the Bauschinger effect is inverted. Dislocation arrangement evolutions with fatigue conditions can explain the cyclic behaviour of Al single crystals. An heterogeneous dislocation distribution can be observed in the cyclically strained metal : dislocation tangles, long dislocation walls and dislocation cell walls, separated by dislocation poor channels appear in the material as a function of the cycle number. The long range internal stress necessary to ensure the compatibility of deformation between the hard and soft regions controls the observed Bauschinger effect. Ce travail s'inscrit dans le cadre de l'étude des mécanismes microsocopiques intervenant lors de la déformation cyclique de l'aluminium pur et concerne en particulier l'analyse de l'effet Bauschinger apparaissant au cours de la solliciation cyclique des monocristaux. L'étude a été menée à température ambiante sur des monocristaux d'aluminium pur orientés pour un glissement simple (axe [ overline{1}23] ), à des amplitudes de déformation plastique comprise entre 10^{-4} et quelques 10^{-3}. Nous n'avons pas obtenu de véritable saturation mécanique. Nous sommes en présence d'une séquence durcissement-adoucissement-durcissement secondaire. L'amplitude de l'effet Bauschinger considéré comme la différence entre les limites élastiques en traction et en compression mesurées selon une procédure appropriée, évolue le long d'une boucle de fatigue, s'annule pour deux points particuliers l'un en traction l'autre en compression. De part et d'autre de ces points, le signe de l'effet Bauschinger est inversé. Les microstructures des états fatigués sont caractérisés par une répartition hétérogène des dislocations constituée d'amas, de murs ou des parois, suivant le degré de déformation cyclique, séparés par des zones à faible densité de dislocations. Les contraintes internes liées aux incompatibilités de déformation résultant de cette répartition hétérogène des dislocations sont à l'origine de l'effet Bauschinger observé dans les monocristaux. Ces contraintes et l'évolution de la quantité de cellules de dislocations avec la fatigue expliquent le durcissement secondaire.

First-time anterior shoulder dislocations: should they be arthroscopically stabilised?

PubMed Central

Sedeek, Sedeek Mohamed; Bin Abd Razak, Hamid Rahmatullah; Ee, Gerard WW; Tan, Andrew HC

2014-01-01

The glenohumeral joint is inherently unstable because the large humeral head articulates with the small shadow glenoid fossa. Traumatic anterior dislocation of the shoulder is a relatively common athletic injury, and the high frequency of recurrent instability in young athletes after shoulder dislocation is discouraging to both the patient and the treating physician. Management of primary traumatic shoulder dislocation remains controversial. Traditionally, treatment involves initial immobilisation for 4–6 weeks, followed by functional rehabilitation. However, in view of the high recurrence rates associated with this traditional approach, there has been an escalating interest in determining whether immediate surgical intervention can lower the rate of recurrent shoulder dislocation, improving the patient’s quality of life. This review article aims to provide an overview of the nature and pathogenesis of first-time primary anterior shoulder dislocations, the widely accepted management modalities, and the efficacy of primary surgical intervention in first-time primary anterior shoulder dislocations. PMID:25631890

Microstructure evolution of T91 irradiated in the BOR60 fast reactor

NASA Astrophysics Data System (ADS)

Jiao, Z.; Taller, S.; Field, K.; Yeli, G.; Moody, M. P.; Was, G. S.

2018-06-01

Microstructures of T91 neutron irradiated in the BOR60 reactor at five temperatures between 376 °C and 524 °C to doses between 15.4 and 35.1 dpa were characterized using transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), and atom probe tomography (APT). Type a<100> dislocation loops were observed at 376-415 °C and network dislocations dominated at 460 °C and 524 °C. Cavities appeared in a bimodal distribution with a high density of small bubbles less than 2 nm at irradiation temperatures between 376 °C and 415 °C. Small bubbles were also observed at 460 °C and 524 °C but cavities greater than 2 nm were absent. Enrichment of Cr, Ni, and Si at the grain boundary was observed at all irradiation temperatures. Radiation-induced segregation (RIS) of Cr, Ni and Si appeared to saturate at 17.1 dpa and 376 °C. The temperature dependence of RIS of Cr, Ni and Si at the grain boundary, which showed a peak Cr enrichment temperature of 460 °C and a lower peak Ni and Si enrichment temperature of ∼400 °C, was consistent with observations of RIS of Cr in proton irradiated T91, suggesting that the same RIS mechanism may also apply to BOR60 irradiated T91. G-phase and Cu-rich precipitates were observed at 376-415 °C but were absent at 460 °C and 524 °C. The absence of G-phase at 524 °C could be related to the minimal segregation of Ni and Si in that condition.

Microstructure evolution of T91 irradiated in the BOR60 fast reactor

DOE PAGES

Jiao, Z.; Taller, S.; Field, K.; ...

2018-03-14

In this paper, microstructures of T91 neutron irradiated in the BOR60 reactor at five temperatures between 376 °C and 524 °C to doses between 15.4 and 35.1 dpa were characterized using transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), and atom probe tomography (APT). Type a<100> dislocation loops were observed at 376–415 °C and network dislocations dominated at 460 °C and 524 °C. Cavities appeared in a bimodal distribution with a high density of small bubbles less than 2 nm at irradiation temperatures between 376 °C and 415 °C. Small bubbles were also observed at 460 °C and 524more » °C but cavities greater than 2 nm were absent. Enrichment of Cr, Ni, and Si at the grain boundary was observed at all irradiation temperatures. Radiation-induced segregation (RIS) of Cr, Ni and Si appeared to saturate at 17.1 dpa and 376 °C. The temperature dependence of RIS of Cr, Ni and Si at the grain boundary, which showed a peak Cr enrichment temperature of 460 °C and a lower peak Ni and Si enrichment temperature of ~400 °C, was consistent with observations of RIS of Cr in proton irradiated T91, suggesting that the same RIS mechanism may also apply to BOR60 irradiated T91. G-phase and Cu-rich precipitates were observed at 376–415 °C but were absent at 460 °C and 524 °C. Finally, the absence of G-phase at 524 °C could be related to the minimal segregation of Ni and Si in that condition.« less

Microstructure evolution of T91 irradiated in the BOR60 fast reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiao, Z.; Taller, S.; Field, K.

In this paper, microstructures of T91 neutron irradiated in the BOR60 reactor at five temperatures between 376 °C and 524 °C to doses between 15.4 and 35.1 dpa were characterized using transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), and atom probe tomography (APT). Type a<100> dislocation loops were observed at 376–415 °C and network dislocations dominated at 460 °C and 524 °C. Cavities appeared in a bimodal distribution with a high density of small bubbles less than 2 nm at irradiation temperatures between 376 °C and 415 °C. Small bubbles were also observed at 460 °C and 524more » °C but cavities greater than 2 nm were absent. Enrichment of Cr, Ni, and Si at the grain boundary was observed at all irradiation temperatures. Radiation-induced segregation (RIS) of Cr, Ni and Si appeared to saturate at 17.1 dpa and 376 °C. The temperature dependence of RIS of Cr, Ni and Si at the grain boundary, which showed a peak Cr enrichment temperature of 460 °C and a lower peak Ni and Si enrichment temperature of ~400 °C, was consistent with observations of RIS of Cr in proton irradiated T91, suggesting that the same RIS mechanism may also apply to BOR60 irradiated T91. G-phase and Cu-rich precipitates were observed at 376–415 °C but were absent at 460 °C and 524 °C. Finally, the absence of G-phase at 524 °C could be related to the minimal segregation of Ni and Si in that condition.« less

Period-doubling reconstructions of semiconductor partial dislocations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Ji -Sang; Huang, Bing; Wei, Su -Huai

2015-09-18

Atomic-scale understanding and control of dislocation cores is of great technological importance, because they act as recombination centers for charge carriers in optoelectronic devices. Using hybrid density-functional calculations, we present period-doubling reconstructions of a 90 degrees partial dislocation in GaAs, for which the periodicity of like-atom dimers along the dislocation line varies from one to two, to four dimers. The electronic properties of a dislocation change drastically with each period doubling. The dimers in the single-period dislocation are able to interact, to form a dispersive one-dimensional band with deep-gap states. However, the inter-dimer interaction for the double-period dislocation becomes significantlymore » reduced; hence, it is free of mid-gap states. The Ga core undergoes a further period-doubling transition to a quadruple-period reconstruction induced by the formation of small hole polarons. In conclusion, the competition between these dislocation phases suggests a new passivation strategy via population manipulation of the detrimental single-period phase.« less

Crystal plasticity modeling of irradiation growth in Zircaloy-2

DOE PAGES

Patra, Anirban; Tome, Carlos; Golubov, Stanislav I.

2017-05-10

A reaction-diffusion based mean field rate theory model is implemented in the viscoplastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. A novel scheme is proposed to model the evolution (both number density and radius) of irradiation-induced dislocation loops that can be informed directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behavior of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture, and external stress onmore » the coupled irradiation growth and creep behavior are also studied.« less

Crystal plasticity modeling of irradiation growth in Zircaloy-2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patra, Anirban; Tome, Carlos; Golubov, Stanislav I.

A reaction-diffusion based mean field rate theory model is implemented in the viscoplastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. A novel scheme is proposed to model the evolution (both number density and radius) of irradiation-induced dislocation loops that can be informed directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behavior of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture, and external stress onmore » the coupled irradiation growth and creep behavior are also studied.« less

NEAMS-ATF M3 Milestone Report: Literature Review of Modeling of Radiation-Induced Swelling in Fe-Cr-Al Steels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai, Xianming; Biner, Suleyman Bulent; Jiang, Chao

2015-12-01

Fe-Cr-Al steels are proposed as accident-tolerant-fuel (ATF) cladding materials in light water reactors due to their excellent oxidation resistance at high temperatures. Currently, the understanding of their performance in reactor environment is still limited. In this review, firstly we reviewed the experimental studies of Fe-Cr-Al based alloys with particular focus on the radiation effects in these alloys. Although limited data are available in literature, several previous and recent experimental studies have shown that Fe-Cr-Al based alloys have very good void swelling resistance at low and moderate irradiation doses but the growth of dislocation loops is very active. Overall, the behaviormore » of radiation damage evolution is similar to that in Fe-Cr ferritic/martensitic alloys. Secondly, we reviewed the rate theory-based modeling methods for modeling the coevolution of voids and dislocation loops in materials under irradiation such as Frenkel pair three-dimensional diffusion model (FP3DM) and cluster dynamics. Finally, we summarized and discussed our review and proposed our future plans for modeling radiation damage in Fe-Cr-Al based alloys.« less

3D discrete dislocation dynamics study of creep behavior in Ni-base single crystal superalloys by a combined dislocation climb and vacancy diffusion model

NASA Astrophysics Data System (ADS)

Gao, Siwen; Fivel, Marc; Ma, Anxin; Hartmaier, Alexander

2017-05-01

A three-dimensional (3D) discrete dislocation dynamics (DDD) creep model is developed to investigate creep behavior under uniaxial tensile stress along the crystallographic [001] direction in Ni-base single crystal superalloys, which takes explicitly account of dislocation glide, climb and vacancy diffusion, but neglects phase transformation like rafting of γ‧ precipitates. The vacancy diffusion model takes internal stresses by dislocations and mismatch strains into account and it is coupled to the dislocation dynamics model in a numerically efficient way. This model is helpful for understanding the fundamental creep mechanisms in superalloys and clarifying the effects of dislocation glide and climb on creep deformation. In cases where the precipitate cutting rarely occurs, e.g. due to the high anti-phase boundary energy and the lack of superdislocations, the dislocation glide in the γ matrix and the dislocation climb along the γ/γ‧ interface dominate plastic deformation. The simulation results show that a high temperature or a high stress both promote dislocation motion and multiplication, so as to cause a large creep strain. Dislocation climb accelerated by high temperature only produces a small plastic strain, but relaxes the hardening caused by the filling γ channels and lets dislocations further glide and multiply. The strongest variation of vacancy concentration occurs in the horizontal channels, where more mixed dislocations exit and tend to climb. The increasing internal stresses due to the increasing dislocation density are easily overcome by dislocations under a high external stress that leads to a long-term dislocation glide accompanied by multiplication.

Strength and Dislocation Structure Evolution of Small Metals under Vibrations

NASA Astrophysics Data System (ADS)

Ngan, Alfonso

2015-03-01

It is well-known that ultrasonic vibration can soften metals, and this phenomenon has been widely exploited in industrial applications concerning metal forming and bonding. In this work, we explore the effects of a superimposed small oscillatory load on metal plasticity, from the nano- to macro-size range, and from audible to ultrasonic frequency ranges. Macroscopic and nano-indentation were performed on aluminum, copper and molybdenum, and the results show that the simultaneous application of oscillatory stresses can lower the hardness of these samples. More interestingly, EBSD and TEM observations show that subgrain formation and reduction in dislocation density generally occurred when stress oscillations were applied. These findings point to an important knowledge gap in metal plasticity - the existing understanding of ultrasound softening in terms of the vibrations either imposing additional stress waves to augment the quasi-static applied load, or heating up the metal, whereas the metal's intrinsic deformation resistance or dislocation interactive processes are assumed unaltered by the ultrasound, is proven wrong by the present results. Furthermore, in the case of nanoindentation, the Continuous Stiffness Measurement technique for contact stiffness measurement assumes that the imposed signal-carrier oscillations do not intrinsically alter the material properties of the specimen, and again, the present results prove that this can be wrong. To understand the enhanced subgrain formation and dislocation annihilation, Discrete Dislocation Dynamics (DDD) simulations were carried out and these show that when an oscillatory stress is superimposed on a quasi-static applied stress, reversals of motion of dislocations may occur, and these allow the dislocations to revisit repeatedly suitable configurations for annihilation. DDD, however, was unable to predict the observed subgrain formation presumably because the number of dislocations that can be handled is not large enough. Subgrain formation was directly predicted by a new simulation method of dislocation plasticity based on the dynamics of dislocation density functions.

Correlation between dislocations and leakage current of p-n diodes on a free-standing GaN substrate

NASA Astrophysics Data System (ADS)

Usami, Shigeyoshi; Ando, Yuto; Tanaka, Atsushi; Nagamatsu, Kentaro; Deki, Manato; Kushimoto, Maki; Nitta, Shugo; Honda, Yoshio; Amano, Hiroshi; Sugawara, Yoshihiro; Yao, Yong-Zhao; Ishikawa, Yukari

2018-04-01

Dislocations that cause a reverse leakage current in vertical p-n diodes on a GaN free-standing substrate were investigated. Under a high reverse bias, dot-like leakage spots were observed using an emission microscope. Subsequent cathodoluminescence (CL) observations revealed that the leakage spots coincided with part of the CL dark spots, indicating that some types of dislocation cause reverse leakage. When etch pits were formed on the dislocations by KOH etching, three sizes of etch pits were obtained (large, medium, and small). Among these etch pits, only the medium pits coincided with leakage spots. Additionally, transmission electron microscopy observations revealed that pure screw dislocations are present under the leakage spots. The results revealed that 1c pure screw dislocations are related to the reverse leakage in vertical p-n diodes.

Tailoring Superconductivity with Quantum Dislocations.

PubMed

Li, Mingda; Song, Qichen; Liu, Te-Huan; Meroueh, Laureen; Mahan, Gerald D; Dresselhaus, Mildred S; Chen, Gang

2017-08-09

Despite the established knowledge that crystal dislocations can affect a material's superconducting properties, the exact mechanism of the electron-dislocation interaction in a dislocated superconductor has long been missing. Being a type of defect, dislocations are expected to decrease a material's superconducting transition temperature (T c ) by breaking the coherence. Yet experimentally, even in isotropic type I superconductors, dislocations can either decrease, increase, or have little influence on T c . These experimental findings have yet to be understood. Although the anisotropic pairing in dirty superconductors has explained impurity-induced T c reduction, no quantitative agreement has been reached in the case a dislocation given its complexity. In this study, by generalizing the one-dimensional quantized dislocation field to three dimensions, we reveal that there are indeed two distinct types of electron-dislocation interactions. Besides the usual electron-dislocation potential scattering, there is another interaction driving an effective attraction between electrons that is caused by dislons, which are quantized modes of a dislocation. The role of dislocations to superconductivity is thus clarified as the competition between the classical and quantum effects, showing excellent agreement with existing experimental data. In particular, the existence of both classical and quantum effects provides a plausible explanation for the illusive origin of dislocation-induced superconductivity in semiconducting PbS/PbTe superlattice nanostructures. A quantitative criterion has been derived, in which a dislocated superconductor with low elastic moduli and small electron effective mass and in a confined environment is inclined to enhance T c . This provides a new pathway for engineering a material's superconducting properties by using dislocations as an additional degree of freedom.

Mechanical annealing under low-amplitude cyclic loading in micropillars

NASA Astrophysics Data System (ADS)

Cui, Yi-nan; Liu, Zhan-li; Wang, Zhang-jie; Zhuang, Zhuo

2016-04-01

Mechanical annealing has been demonstrated to be an effective method for decreasing the overall dislocation density in submicron single crystal. However, simultaneously significant shape change always unexpectedly happens under extremely high monotonic loading to drive the pre-existing dislocations out of the free surfaces. In the present work, through in situ TEM experiments it is found that cyclic loading with low stress amplitude can drive most dislocations out of the submicron sample with virtually little change of the shape. The underlying dislocation mechanism is revealed by carrying out discrete dislocation dynamic (DDD) simulations. The simulation results indicate that the dislocation density decreases within cycles, while the accumulated plastic strain is small. By comparing the evolution of dislocation junction under monotonic, cyclic and relaxation deformation, the cumulative irreversible slip is found to be the key factor of promoting junction destruction and dislocation annihilation at free surface under low-amplitude cyclic loading condition. By introducing this mechanics into dislocation density evolution equations, the critical conditions for mechanical annealing under cyclic and monotonic loadings are discussed. Low-amplitude cyclic loading which strengthens the single crystal without seriously disturbing the structure has the potential applications in the manufacture of defect-free nano-devices.

Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study.

PubMed

Dupraz, Maxime; Beutier, Guillaume; Rodney, David; Mordehai, Dan; Verdier, Marc

2015-06-01

Crystal defects induce strong distortions in diffraction patterns. A single defect alone can yield strong and fine features that are observed in high-resolution diffraction experiments such as coherent X-ray diffraction. The case of face-centred cubic nanocrystals is studied numerically and the signatures of typical defects close to Bragg positions are identified. Crystals of a few tens of nanometres are modelled with realistic atomic potentials and 'relaxed' after introduction of well defined defects such as pure screw or edge dislocations, or Frank or prismatic loops. Diffraction patterns calculated in the kinematic approximation reveal various signatures of the defects depending on the Miller indices. They are strongly modified by the dissociation of the dislocations. Selection rules on the Miller indices are provided, to observe the maximum effect of given crystal defects in the initial and relaxed configurations. The effect of several physical and geometrical parameters such as stacking fault energy, crystal shape and defect position are discussed. The method is illustrated on a complex structure resulting from the simulated nanoindentation of a gold nanocrystal.

Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study1

PubMed Central

Dupraz, Maxime; Beutier, Guillaume; Rodney, David; Mordehai, Dan; Verdier, Marc

2015-01-01

Crystal defects induce strong distortions in diffraction patterns. A single defect alone can yield strong and fine features that are observed in high-resolution diffraction experiments such as coherent X-ray diffraction. The case of face-centred cubic nanocrystals is studied numerically and the signatures of typical defects close to Bragg positions are identified. Crystals of a few tens of nanometres are modelled with realistic atomic potentials and ‘relaxed’ after introduction of well defined defects such as pure screw or edge dislocations, or Frank or prismatic loops. Diffraction patterns calculated in the kinematic approximation reveal various signatures of the defects depending on the Miller indices. They are strongly modified by the dissociation of the dislocations. Selection rules on the Miller indices are provided, to observe the maximum effect of given crystal defects in the initial and relaxed configurations. The effect of several physical and geometrical parameters such as stacking fault energy, crystal shape and defect position are discussed. The method is illustrated on a complex structure resulting from the simulated nanoindentation of a gold nanocrystal. PMID:26089755

Effect of Annealing on Microstructures and Hardening of Helium-Hydrogen-Implanted Sequentially Vanadium Alloys

NASA Astrophysics Data System (ADS)

Jiang, Shaoning; Wang, Zhiming

2018-03-01

The effect of post-irradiation annealing on the microstructures and mechanical properties of V-4Cr-4Ti alloys was studied. Helium-hydrogen-irradiated sequentially V-4Cr-4Ti alloys at room temperature (RT) were undergone post-irradiation annealing at 450 °C over periods of up to 30 h. These samples were carried out by high-resolution transmission electron microscopy (HRTEM) observation and nanoindentation test. With the holding time, large amounts of point defects produced during irradiation at RT accumulated into large dislocation loops and then dislocation nets which promoted the irradiation hardening. Meanwhile, bubbles appeared. As annealing time extended, these bubbles grew up and merged, and finally broke up. In the process, the size of bubbles increased and the number density decreased. Microstructural changes due to post-irradiation annealing corresponded to the change of hardening. Dislocations and bubbles are co-contributed to irradiation hardening. With the holding time up to 30 h, the recovery of hardening is not obvious. The phenomenon was discussed by dispersed barrier hardening model and Friedel-Kroupa-Hirsch relationship.

Current Status of the Quality of 4H-SiC Substrates and Epilayers for Power Device Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dudley, M.; Wang, H.; Guo, Jianqiu

ABSTRACT Interfacial dislocations (IDs) and half-loop arrays (HLAs) present in the epilayers of 4H-SiC crystal are known to have a deleterious effect on device performance. Synchrotron X-ray Topography studies carried out on n-type 4H-SiC offcut wafers before and after epitaxial growth show that in many cases BPD segments in the substrate are responsible for creating IDs and HLAs during CVD growth. This paper reviews the behaviors of BPDs in the substrate during the epitaxial growth in different cases: (1) screw-oriented BPD segments intersecting the surface replicate directly through the interface during the epitaxial growth and take part in stress relaxationmore » process by creating IDs and HLAs (Matthews-Blakeslee model [1] ); (2) non-screw oriented BPD half loop intersecting the surface glides towards and replicates through the interface, while the intersection points convert to threading edge dislocations (TEDs) and pin the half loop, leaving straight screw segments in the epilayer and then create IDs and HLAs; (3) edge oriented short BPD segments well below the surface get dragged towards the interface during epitaxial growth, leaving two long screw segments in their wake, some of which replicate through the interface and create IDs and HLAs. The driving force for the BPDs to glide toward the interface is thermal stress and driving force for the relaxation process to occur is the lattice parameter difference at growth temperature which results from the doping concentration difference between the substrate and epilayer.« less

Extreme Response in Tension and Compression of Tantalum

NASA Astrophysics Data System (ADS)

Remington, Tane Perry

This research on a model bcc metal, tantalum, has three components: the study of tensile failure; defects generated under a nanoindenter; and dislocation velocities in an extreme regime generated by pulsed lasers. The processes of dynamic failure by spalling were established in nano, poly, and mono crystalline tantalum in recovery experiments following laser compression and release. The process of spall was characterized by different techniques: optical microscopy, scanning electron microscopy, microcomputerized tomography and electron backscatter diffraction. Additionally, the pull back signal was measured by VISAR and the pressure decay was compared with HYADES simulations. There are clear differences in the microscopic fracture mechanisms, dictated by the grain sizes. In the nano and poly crystals, spalling occurred by ductile fracture favoring grain boundaries. In the monocrystals, grain boundaries are absent, and the process was of ductile failure by void initiation, growth and coalescence. The spall strength of single crystalline tantalum was higher than the poly and nano crystals. It was experimentally confirmed that spall strength in tantalum increases with strain rate. In order to generate dislocations close to the surface, single crystalline tantalum with orientations (100), (110) and (111) was nanoindented with a Berkovich tip. Atomic force microscopy showed pile-ups of dislocations around the perimeter of the nanoindentations. Sections of nanoindentations were focused ion beam cut into transmission electron microscope foils. The mechanisms of deformation under a nanoindentation in tantalum were identified and quantified. Molecular dynamics simulations were conducted and the simulated plastic deformation proceeds by the formation of nanotwins, which rapidly evolve into shear dislocation loops. Dislocation densities under the indenter were estimated experimentally (~1.2 x 1015 m-2), by MD (~7 x1015 m-2) and through an analytical calculation (2.6--19 x10 15 m-2). Considering the assumptions and simplifications, this agreement is considered satisfactory. These indented crystals were subjected to shock compression and the results are being analyzed with the objective of establishing the velocities of dislocations. A novel technique to establish dislocation velocities is being tested. It consists of subjecting tantalum containing a matrix of nanoindentations to shock compression for post shock characterization enabling the determination of mean dislocation displacements.

Internal friction and dislocation collective pinning in disordered quenched solid solutions

NASA Astrophysics Data System (ADS)

D'Anna, G.; Benoit, W.; Vinokur, V. M.

1997-12-01

We introduce the collective pinning of dislocations in disordered quenched solid solutions and calculate the macroscopic mechanical response to a small dc or ac applied stress. This work is a generalization of the Granato-Lücke string model, able to describe self-consistently short and long range dislocation motion. Under dc applied stress the long distance dislocation creep has at the microscopic level avalanche features, which result in a macroscopic nonlinear "glassy" velocity-stress characteristic. Under ac conditions the model predicts, in addition to the anelastic internal friction relaxation in the high frequency regime, a linear internal friction background which remains amplitude-independent down to a crossover frequency to a strongly nonlinear internal friction regime.

Traumatic anterior dislocation of the crystalline lens and its surgical management.

PubMed

Srećković, Sunčica; Janićijević Petrović, Mirjana; Jovanović, Svetlana; Paunović, Svetlana; Sarenac, Tatjana

2012-02-01

This paper reports a case of a 57-year old female who had sustained a blunt ocular trauma resulting in anterior dislocation of the crystalline lens and acute painful visual loss in the left eye. The patient was managed with anterior chamber intracapsular phacoemulsification through a small anterior capsulotomy, pars plana vitrectomy, and surgical iridotomy. Aphakia was corrected by a contact lens. Two months after the surgery, the best corrected visual acuity was 0.9 in the left eye. The vision and retina remained stable in her follow-up examination 1 year later. Anterior dislocation of the crystalline lens can cause severe complications so that dislocated lens should be removed immediately.

Slow wave contraction frequency plateaus in the small intestine are composed of discrete waves of interval increase associated with dislocations.

PubMed

Parsons, Sean P; Huizinga, Jan D

2018-06-03

What is the central question of this study? What is the nature of slow wave driven contraction frequency gradients in the small intestine? What is the main finding and its importance? Frequency plateaus are composed of discrete waves of increased interval, each wave associated with a contraction dislocation. Smooth frequency gradients are generated by localised neural modulation of wave frequency, leading to functionally important wave turbulence. Both patterns are emergent properties of a network of coupled oscillators, the interstitial cells of Cajal. A gut-wide network of interstitial cells of Cajal (ICC) generate electrical oscillations (slow waves) that orchestrate waves of muscle contraction. In the small intestine there is a gradient in slow wave frequency from high at the duodenum to low at the terminal ileum. Time-averaged measurements of frequency have suggested either a smooth or stepped (plateaued) gradient. We measured individual contraction intervals from diameter maps of the mouse small intestine to create interval maps (IMaps). IMaps showed that each frequency plateau was composed of discrete waves of increased interval. Each interval wave originated at a terminating contraction wave, a "dislocation", at the plateau's proximal boundary. In a model chain of coupled phase oscillators, interval wave frequency increased as coupling decreased or as the natural frequency gradient or noise increased. Injuring the intestine at a proximal point to destroy coupling, suppressed distal steps which then reappeared with gap junction block by carbenoxolone. This lent further support to our previous hypothesis that lines of dislocations were fixed by points of low coupling strength. Dislocations induced by electrical field pulses in the intestine and by equivalent phase shift in the model, were associated with interval waves. When the enteric nervous system was active, IMaps showed a chaotic, turbulent pattern of interval change with no frequency steps or plateaus. This probably resulted from local, stochastic release of neurotransmitters. Plateaus, dislocations, interval waves and wave turbulence arise from a dynamic interplay between natural frequency and coupling in the ICC network. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Microstructural evolution of pure tungsten neutron irradiated with a mixed energy spectrum

DOE PAGES

Koyanagi, Takaaki; Kumar, N. A. P. Kiran; Hwang, Taehyun; ...

2017-04-13

Here, microstructures of single-crystal bulk tungsten (W) and polycrystalline W foil with a strong grain texture were investigated using transmission electron microscopy following neutron irradiation at ~90–800 °C to 0.03–4.6 displacements per atom (dpa) in the High Flux Isotope Reactor with a mixed energy spectrum. The dominant irradiation defects were dislocation loops and small clusters at ~90 °C. Additional voids were formed in W irradiated at above 460 °C. Voids and precipitates involving transmutation rhenium and osmium were the dominant defects at more than ~1 dpa. We found a new phenomenon of microstructural evolution in irradiated polycrystalline W: Re- andmore » Os-rich precipitation along grain boundaries. Comparison of results between this study and previous studies using different irradiation facilities revealed that the microstructural evolution of pure W is highly dependent on the neutron energy spectrum in addition to the irradiation temperature and dose.« less

Microstructural evolution of pure tungsten neutron irradiated with a mixed energy spectrum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koyanagi, Takaaki; Kumar, N. A. P. Kiran; Hwang, Taehyun

Here, microstructures of single-crystal bulk tungsten (W) and polycrystalline W foil with a strong grain texture were investigated using transmission electron microscopy following neutron irradiation at ~90–800 °C to 0.03–4.6 displacements per atom (dpa) in the High Flux Isotope Reactor with a mixed energy spectrum. The dominant irradiation defects were dislocation loops and small clusters at ~90 °C. Additional voids were formed in W irradiated at above 460 °C. Voids and precipitates involving transmutation rhenium and osmium were the dominant defects at more than ~1 dpa. We found a new phenomenon of microstructural evolution in irradiated polycrystalline W: Re- andmore » Os-rich precipitation along grain boundaries. Comparison of results between this study and previous studies using different irradiation facilities revealed that the microstructural evolution of pure W is highly dependent on the neutron energy spectrum in addition to the irradiation temperature and dose.« less

[Classification and Treatment of Sacroiliac Joint Dislocation].

PubMed

Tan, Zhen; Huang, Zhong; Li, Liang; Meng, Wei-Kun; Liu, Lei; Zhang, Hui; Wang, Guang-Lin; Huang, Fu-Guo

2017-09-01

To develop a renewed classification and treatment regimen for sacroiliac joint dislocation. According to the direction of dislocation of sacroiliac joint,combined iliac,sacral fractures,and fracture morphology,sacroiliac joint dislocation was classified into 4 types. Type Ⅰ (sacroiliac anterior dislocation): main fracture fragments of posterior iliac wing dislocated in front of sacroiliac joint. Type Ⅱ (sacroiliac posterior dislocation): main fracture fragments of posterior iliac wing dislocated in posterior of sacroiliac joint. Type Ⅲ (Crescent fracturedislocation of the sacroiliac joint): upward dislocation of posterior iliac wing with oblique fracture through posterior iliac wing. Type ⅢA: a large crescent fragment and dislocation comprises no more than onethird of sacroiliac joint,which is typically inferior. Type ⅢB: intermediatesize crescent fragment and dislocation comprises between one and twothirds of joint. Type ⅢC: a small crescent fragment where dislocation comprises most,but not the entire joint. Different treatment regimens were selected for different types of fractures. Treatment for type Ⅰ sacroiliac joint dislocation: anterior iliac fossa approach pry stripping reset; sacroiliac joint fixed with sacroiliac screw through percutaneous. Treatment for type Ⅱ sacroiliac joint dislocation: posterior sacroiliac joint posterior approach; sacroiliac joint fixed with sacroiliac screw under computer guidance. Treatment for type ⅢA and ⅢB sacroiliac joint dislocation: posterior sacroiliac joint approach; sacroiliac joint fixed with reconstruction plate. Treatment for type ⅢC sacroiliac joint dislocation: sacroiliac joint closed reduction; sacroiliac joint fixed with sacroiliac screw through percutaneous. Treatment for type Ⅳ sacroiliac joint dislocation: posterior approach; sacroiliac joint fixed with spinal pelvic fixation. Results of 24 to 72 months patient follow-up (mean 34.5 months): 100% survival,100% wound healing,and 100% fracture healing. Two cases were identified as type Ⅰ sacroiliac joint dislocation,including one with coexistence of nerve injury. Patients recovered completely 12 months after surgery. Eight cases were identified as type Ⅱ sacroiliac joint dislocation; none had obvious nerve injury during treatments. Twelve cases were identified as type Ⅲ sacroiliac joint dislocation,including one with coexistence of nerve injury. Patients recovered completely 12 months after surgery. Three cases were identified as type Ⅳ sacroiliac joint dislocation with coexistence of nerve injury. Two patients fully recovered 12 months after surgery. One had partial recovery of neurological function. The classification and treatment regimen for sacroiliac joint dislocation have achieved better therapeutic effect,which is worth promoting.

The application of an atomistic J-integral to a ductile crack.

PubMed

Zimmerman, Jonathan A; Jones, Reese E

2013-04-17

In this work we apply a Lagrangian kernel-based estimator of continuum fields to atomic data to estimate the J-integral for the emission dislocations from a crack tip. Face-centered cubic (fcc) gold and body-centered cubic (bcc) iron modeled with embedded atom method (EAM) potentials are used as example systems. The results of a single crack with a K-loading compare well to an analytical solution from anisotropic linear elastic fracture mechanics. We also discovered that in the post-emission of dislocations from the crack tip there is a loop size-dependent contribution to the J-integral. For a system with a finite width crack loaded in simple tension, the finite size effects for the systems that were feasible to compute prevented precise agreement with theory. However, our results indicate that there is a trend towards convergence.

Evolution of secondary-phase precipitates during annealing of the 12Kh18N9T steel irradiated with neutrons to a dose of 5 DPA

NASA Astrophysics Data System (ADS)

Tsai, K. V.; Maksimkin, O. P.; Turubarova, L. G.

2007-03-01

The formation and evolution of thermally-induced secondary precipitates in an austenitic stainless steel 12Kh18N9T irradiated in the core of a laboratory reactor VVR-K to a dose of 5 dpa and subjected to post-radiation isochronous annealings for 1 h in a temperature range from 450 to 1050°C have been studied using transmission electron microscopy (TEM) and microhardness measurements. It has been shown that the formation of stitch (secondary) titanium carbides and M 23C6 carbides at grain and twin boundaries after annealing at 1050°C is preceded by a complex evolution of fineparticles of secondary phases (titanium carbides and nitrides) precipitated at dislocation loops and dislocations during annealing at temperatures above 750°C.

EBIC/TEM investigations of defects in solar silicon ribbon materials

NASA Technical Reports Server (NTRS)

Ast, D. G.

1981-01-01

Transmission electron microscopy was used to investigate the defect structure of edge defined film growth (EFG) material, web dentritic ribbons (WEB), and ribbon to ribbon recrystallized material (RTR). The most common defects in all these materials are coherent first order twin boundaries. These coherent twins can be very thin, a few atomic layers. Bundles of the twins which contain odd numbers of twins will in optical images appear as a seemingly single first twin boundary. First-order coherent twin boundaries are not electrically active, except at locations where they contain intrinsic (grain boundary) dislocations. These dislocations take up small deviations from the ideal twin relation and play the same role in twin boundaries as conventional and play the some role in twin boundaries as conventional edge and screw dislocations in small angle tilt and twist boundaries.

Impact of stress relaxation in GaAsSb cladding layers on quantum dot creation in InAs/GaAsSb structures grown on GaAs (001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bremner, S. P.; Ban, K.-Y.; Faleev, N. N.

2013-09-14

We describe InAs quantum dot creation in InAs/GaAsSb barrier structures grown on GaAs (001) wafers by molecular beam epitaxy. The structures consist of 20-nm-thick GaAsSb barrier layers with Sb content of 8%, 13%, 15%, 16%, and 37% enclosing 2 monolayers of self-assembled InAs quantum dots. Transmission electron microscopy and X-ray diffraction results indicate the onset of relaxation of the GaAsSb layers at around 15% Sb content with intersected 60° dislocation semi-loops, and edge segments created within the volume of the epitaxial structures. 38% relaxation of initial elastic stress is seen for 37% Sb content, accompanied by the creation of amore » dense net of dislocations. The degradation of In surface migration by these dislocation trenches is so severe that quantum dot formation is completely suppressed. The results highlight the importance of understanding defect formation during stress relaxation for quantum dot structures particularly those with larger numbers of InAs quantum-dot layers, such as those proposed for realizing an intermediate band material.« less

Effect of heavy ion irradiation on microstructural evolution in CF8 cast austenitic stainless steel

DOE PAGES

Chen, Wei-Ying; Li, Meimei; Kirk, Marquis A.; ...

2015-08-21

The microstructural evolution in ferrite and austenitic in cast austenitic stainless steel (CASS) CF8, as received or thermally aged at 400 °C for 10,000 h, was followed under TEM with in situ irradiation of 1 MeV Kr ions at 300 and 350 °C to a fluence of 1.9 × 10 15 ions/cm 2 (~3 dpa) at the IVEM-Tandem Facility. For the unaged CF8, the irradiation-induced dislocation loops appeared at a much lower dose in the austenite than in the ferrite. At the end dose, the austenite formed a well-developed dislocation network microstructure, while the ferrite exhibited an extended dislocation structuremore » as line segments. Compared to the unaged CF8, the aged specimen appeared to have lower rate of damage accumulation. The rate of microstructural evolution under irradiation in the ferrite was significantly lower in the aged specimen than in the unaged. Finally, we attributed this difference to the different initial microstructures in the unaged and aged specimens, which implies that thermal aging and irradiation are not independent but interconnected damage processes.« less

Recent Results from Epitaxial Growth on Step Free 4H-SiC Mesas

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Trunek, Andrew J.; Spry, David J.; Powell, J. Anthony; Du, Hui; Skowronski, Marek; Bassim, Nabil D.; Mastro, Michael A.; Twigg, Mark E.; Holm, Ronald T.;

Fine flow structures in the transition region small-scale loops

NASA Astrophysics Data System (ADS)

Yan, L.; Peter, H.; He, J.; Wei, Y.

2016-12-01

The observation and model have suggested that the transition region EUV emission from the quiet sun region is contributed by very small scale loops which have not been resolved. Recently, the observation from IRIS has revealed that this kind of small scale loops. Based on the high resolution spectral and imaging observation from IRIS, much more detail work needs to be done to reveal the fine flow features in this kind of loop to help us understand the loop heating. Here, we present a detail statistical study of the spatial and temporal evolution of Si IV line profiles of small scale loops and report the spectral features: there is a transition from blue (red) wing enhancement dominant to red (blue) wing enhancement dominant along the cross-section of the loop, which is independent of time. This feature appears as the loop appear and disappear as the loop un-visible. This is probably the signature of helical flow along the loop. The result suggests that the brightening of this kind of loop is probably due to the current dissipation heating in the twisted magnetic field flux tube.

Powder metallurgy processing and deformation characteristics of bulk multimodal nickel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farbaniec, L., E-mail: lfarban1@jhu.edu; Dirras, G., E-mail: dirras@univ-paris13.fr; Krawczynska, A.

2014-08-15

Spark plasma sintering was used to process bulk nickel samples from a blend of three powder types. The resulting multimodal microstructure was made of coarse (average size ∼ 135 μm) spherical microcrystalline entities (the core) surrounded by a fine-grained matrix (average grain size ∼ 1.5 μm) or a thick rim (the shell) distinguishable from the matrix. Tensile tests revealed yield strength of ∼ 470 MPa that was accompanied by limited ductility (∼ 2.8% plastic strain). Microstructure observation after testing showed debonding at interfaces between the matrix and the coarse entities, but in many instances, shallow dimples within the rim weremore » observed indicating local ductile events in the shell. Dislocation emission and annihilation at grain boundaries and twinning at crack tip were the main deformation mechanisms taking place within the fine-grained matrix as revealed by in-situ transmission electron microscopy. Estimation of the stress from loop's curvature and dislocation pile-up indicates that dislocation emission from grain boundaries and grain boundary overcoming largely contributes to the flow stress. - Highlights: • Bulk multi-modal Ni was processed by SPS from a powder blend. • Ultrafine-grained matrix or rim observed around spherical microcrystalline entities • Yield strength (470 MPa) and ductility (2.8% plastic strain) were measured. • Debonding was found at the matrix/microcrystalline entity interfaces. • In-situ TEM showed twinning, dislocation emission and annihilation at grain boundaries.« less

Single-crystal sapphire microstructure for high-resolution synchrotron X-ray monochromators

DOE PAGES

Asadchikov, Victor E.; Butashin, Andrey V.; Buzmakov, Alexey V.; ...

2016-03-22

We report on the growth and characterization of several sapphire single crystals for the purpose of x-ray optics applications. Structural defects were studied by means of laboratory double-crystal X-ray diffractometry and white beam synchrotron-radiation topography. The investigations confirmed that the main defect types are dislocations. The best quality crystal was grown using the Kyropoulos technique with a dislocation density of 10 2-10 3 cm -2 and a small area with approximately 2*2 mm 2 did not show dislocation contrast in many reflections and has suitable quality for application as a backscattering monochromator. As a result, a clear correlation between growthmore » rate and dislocation density is observed, though growth rate is not the only parameter impacting the quality.« less

Symmetric Tilt Grain Boundaries of Synthetic Forsterite Bicrystals

NASA Astrophysics Data System (ADS)

Heinemann, S.; Wirth, R.; Dresen, G.

2002-12-01

{ indent1.5em skip0ex Structure and transport properties of grain boundaries in rocks are still poorly understood. For example, grain boundary diffusivity and mobility depend on orientation, and they are different for low and high angle grain boundaries. The transition from low to high angle grain boundaries in rock-forming minerals is not studied in detail, but a high angle grain boundary is commonly defined by a lattice misorientation of >10°-15°. To investigate the physical properties of olivine grain boundaries we produced a series of synthetic forsterite bicrystals with symmetric tilt grain boundaries by direct bonding [1,2]. For each bicrystal two oriented synthetic forsterite single crystals were joined at room temperature and annealed at 400°C for one week. All bicrystals were cut in two parts and one part was annealed further at 1650°C for 48h. The tilt axis of the boundary in the synthesized bicrystals is parallel to the a direction, and the tilt angles of the series range from 9° to 21°. Specimens were prepared for investigations in the transmission electron microscope (TEM) using focused ion beam (FIB) technique. High-resolution TEM investigations of symmetric tilt grain boundaries reveal dislocation arrays between undisturbed crystal regions in samples annealed at 400°C and 1650°C. This suggests that bonding of bicrystals occurred already below or at 400°C. The burgers vectors of the dislocations are parallel to c. Dislocation cores do not overlap up to a tilt angle of 21°. This indicates that for forsterite small angle grain boundaries exist up to tilt angles of 21°. The dislocation model of small angle grain boundaries can be applied and the observed dislocation spacings d are related to tilt angle θ and burgers vector length b by Franks formula [3]: d = b/(2sin(2/θ )) ~ b/θ . With tilt angles increasing from 9° to 21° the dislocation spacing decreased. Using Frank's equation and the observation that dislocations do not overlap at a misorientation of 21° allows to estimate the maximum radius of the dislocation cores, r0<1.4b.} {skip0ex \\small [1] Heinemann S et al. (2001) Phys Chem Minerals 28, 685 [2] Heinemann S et al. (2002) Beih Eur Mineral 14(1), 66 [3] Frank FC (1951) Pittsburgh Symposium on the Plastic Deformation of Solids. 150}

Strengthening and toughening mechanisms in low-c microalloyed martensitic steel as influenced by austenite conditioning

NASA Astrophysics Data System (ADS)

Kennett, Shane C.

Three low-carbon ASTM A514 microalloyed steels were used to assess the effects of austenite conditioning on the microstructure and mechanical properties of martensite. A range of prior austenite grain sizes with and without thermomechanical processing were produced in a Gleeble RTM 3500 and direct-quenched. Samples in the as-quenched, low temperature tempered, and high temperature tempered conditions were studied. The microstructure was characterized with scanning electron microscopy, electron backscattered diffraction, transmission electron microscopy, and x-ray diffraction. The uniaxial tensile properties and Charpy V-notch properties were measured and compared with the microstructural features (prior austenite grain size, packet size, block size, lath boundaries, and dislocation density). For the equiaxed prior austenite grain conditions, prior austenite grain size refinement decreases the packet size, decreases the block size, and increases the dislocation density of as-quenched martensite. However, after high temperature tempering the dislocation density decreases with prior austenite grain size refinement. Thermomechanical processing increases the low angle substructure, increases the dislocation density, and decreases the block size of as-quenched martensite. The dislocation density increase and block size refinement is sensitive to the austenite grain size before ausforming. The larger prior austenite grain size conditions have a larger increase in dislocation density, but the small prior austenite grain size conditions have the largest refinement in block size. Additionally, for the large prior austenite grain size conditions, the packet size increases with thermomechanical processing. The strength of martensite is often related to an effective grain size or carbon concentration. For the current work, it was concluded that the strength of martensite is primarily controlled by the dislocation density and dislocation substructure; which is related to a grain size and carbon concentration. In the microyielding regime, the strength and work hardening is related to the motion of unpinned dislocation segments. However, with tensile strain, a dislocation cell structure is developed and the flow strength (greater than 1% offset) is controlled by the dislocation density following a Taylor hardening model, thereby ruling out any grain size effects on the flow strength. Additionally, it is proposed that lath boundaries contribute to strength. It is shown that the strength differences associated with thermomechanically processed steels can be fully accounted for by dislocation density differences and the effect of lath boundaries. The low temperature ductile to brittle transition of martensite is controlled by the martensite block size, packet size, and prior austenite grain size. However, the effect of block size is likely small in comparison. The ductile to brittle transition temperature is best correlated to the inverse square root of the martensite packet size because large crack deflections are typical at packet boundaries.

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array access Small Commercial Power Hardware in the Loop The small commercial power-hardware-in-the-loop (PHIL) test bay is dedicated to small-scale power hardware-in-the-loop studies of inverters and other , natural gas supply Multi-Inverter Power Hardware in the Loop The multi-inverter test bay is dedicated to

Applications of Real Space Crystallography in Characterization of Dislocations in Geological Materials in a Scanning Electron Microscope (SEM)

NASA Astrophysics Data System (ADS)

Kaboli, S.; Burnley, P. C.

2017-12-01

Imaging and characterization of defects in crystalline materials is of significant importance in various disciplines including geoscience, materials science, and applied physics. Linear defects such as dislocations and planar defects such as twins and stacking faults, strongly influence many of the properties of crystalline materials and also reflect the conditions and degree of deformation. Dislocations have been conventionally imaged in thin foils in a transmission electron microscope (TEM). Since the development of field emission scanning electron microscopes (FE-SEM) with high gun brightness and small spot size, extensive efforts have been dedicated to the imaging and characterization of dislocations in semi-conductors using electron channeling contrast imaging (ECCI) in the SEM. The obvious advantages of using SEM over TEM include easier and non-destructive sample preparation and a large field of view enabling statistical examination of the density and distribution of dislocations and other defects. In this contribution, we extend this technique to geological materials and introduce the Real Space Crystallography methodology for imaging and complete characterization of dislocations based on bend contour contrast obtained by ECCI in FE-SEM. Bend contours map out the distortion in the crystal lattice across a deformed grain. The contrast of dislocations is maximum in the vicinity of bend contours where crystal planes diffract at small and positive deviations from the Bragg positions (as defined by Bragg's law of electron diffraction). Imaging is performed in a commercial FE-SEM equipped with a standard silicon photodiode backscattered (BSE) detector and an electron backscatter diffraction (EBSD) system for crystal orientation measurements. We demonstrate the practice of this technique in characterization of a number of geological materials in particular quartz, forsterite olivine and corundum, experimentally deformed at high pressure-temperature conditions. This new approach in microstructure characterization of deformed geologic materials in FE-SEM, without the use of etching or decoration techniques, has valuable applications to both experimentally deformed and naturally deformed specimens.

Undersize solute element effects on defect structure development in copper under electron irradiation

NASA Astrophysics Data System (ADS)

Satoh, Y.; Yoshiie, T.; Arai, S.

2018-03-01

We conducted systematic experiments of defect structure development in Cu base binary alloys under 1000 kV electron irradiation at temperatures higher than 300 K, using in situ observations with high voltage electron microscopy. This report describes the effects of undersize elements: Co (-3.78%), Ni (-8.45%) and Be (-26.45%). The volume size factors are given in parentheses. The amounts of the respective elements were 2, 0.3, 0.05 at.%, or less. In Cu-Ni and Cu-Co and in the reference Cu, temperature dependence of the number density of interstitial-type dislocation loops had a down peak (i.e. loops hardly formed) at approximately 373 K, attributed to unexpected impurity atoms. Above the down-peak temperature, the addition of Co or Ni increased the loop number density through continuous nucleation of loops, extended the loop formation to higher temperatures, and decreased the apparent activation energy of loop growth rate. The addition of Be for 0.3 at.% or more delayed loop formation after formation of stacking fault tetrahedra (SFTs) around 300 K. The apparent mobility of self-interstitial atoms is expected to be smaller than that of vacancies because of strong binding with Be. Loop formation at temperatures higher than 373 K was enhanced by Be for 0.3 or 2 at.%, although it was suppressed greatly for 0.05 at.% or less. All undersize atoms increased the stability of SFTs under irradiation. Mechanisms of those effects were discussed and were briefly compared with earlier results found for oversize elements in Cu.

The Dependence of Portevin-Le Châtelier Effect on the γ' Precipitates in a Wrought Ni-Base Superalloy

NASA Astrophysics Data System (ADS)

Wang, Xinguang; Han, Guoming; Cui, Chuanyong; Guan, Shuai; Jin, Tao; Sun, Xiaofeng; Hu, Zhuangqi

2016-12-01

The dependence of Portevin-Le Châtelier (PLC) effect on the γ' precipitates of the Nimonic 263 alloy in different microstructural conditions has been studied by analyzing the parameters of the tensile curves and the deformation mechanisms. It is shown that the γ' precipitates with different sizes, edge-to-edge interprecipitate distance, and areal number density are obtained by altering the aging time. It is demonstrated that when the mean size of the γ' precipitates is less than 28 nm (aging less than 25 hours), the deformation mechanisms are dominated by APB-coupled a/2<101> dislocations shearing the small γ' precipitates and the slip bands continuously cutting the γ and γ' phases. When the γ' size is between 28 and 45 nm (aging time between 25 and 50 hours), the deformation mechanism is controlled by the APB-coupled a/2<101> dislocations shearing the small γ' precipitates, the a/6<112> Shockley partial dislocation continuously shearing the γ and γ' phases combined with matrix dislocations by-passing the γ' precipitates; If the γ' size over 45 nm (aging time more than 50 hours), Orowan by-passing becomes the main deformation mechanism. Moreover, with increasing the aging time, the critical plastic strain for the onset of the PLC effect increases and reaches a maximum after aging for 50 hours, and then gradually decreases. At last, the dependence of critical plastic strain on the deformation mechanisms is well explained by the elementary incremental strain (γ). The precipitation process of the γ' phase can directly influence the PLC effect by changing the interactions among solutes atoms, mobile dislocations, and forest dislocations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Zhangwei; Baker, Ian; Guo, Wei

We investigated the effects of cold rolling followed by annealing on the mechanical properties and dislocation substructure evolution of undoped and 1.1 at. % carbon-doped Fe 40.4Ni 11.3Mn 34.8Al 7.5Cr 6 high entropy alloys (HEAs). X-ray diffraction, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and atom probe tomography (APT) were employed to characterize the microstructures. The as-cast HEAs were coarse-grained and single phase f.c.c., whereas the thermo-mechanical treatment caused recrystallization (to fine grain sizes) and precipitation (a B2 phase for the undoped HEA; and a B2 phase, and M 23C 6 and M 7C 3 carbides for the C-dopedmore » HEA). Carbon, which was found to have segregated to the grain boundaries using APT, retarded recrystallization. The reduction in grain size resulted in a sharp increase in strength, while the precipitation, which produced only a small increase in strength, probably accounted for the small decrease in ductility for both undoped and C-doped HEAs. For both undoped and C-doped HEAs, the smaller grain-sized material initially exhibited higher strain hardening than the coarse-grained material but showed a much lower strain hardening at large tensile strains. Wavy slip in the undoped HEAs and planar slip in C-doped HEAs were found at the early stages of deformation irrespective of grain size. At higher strains, dislocation cell structures formed in the 19 μm grain-sized undoped HEA, while microbands formed in the 23 μm grain-sized C-doped HEA. Conversely, localized dislocation clusters were found in both HEAs at the finest grain sizes (5 μm). The inhibition of grain subdivision by the grain boundaries and precipitates lead to the transformation from regular dislocation configurations consisting of dislocation-cells and microbands to irregular dislocation configurations consisting of localized dislocation clusters, which further account for the decrease in ductility. Our investigation of the formation mechanism and strain hardening of dislocation cells and microbands could benefit future structural material design.« less

Electrical Current Leakage and Open-Core Threading Dislocations in AlGaN-Based Deep Ultraviolet Light-Emitting Diodes.

DOE PAGES

Moseley, Michael William; Allerman, Andrew A.; Crawford, Mary H.; ...

2014-08-04

Electrical current transport through leakage paths in AlGaN-based deep ultraviolet (DUV) lightemitting diodes (LEDs) and their effect on LED performance are investigated. Open-core threading dislocations, or nanopipes, are found to conduct current through nominally insulating Al0.7Ga0.3N layers and limit the performance of DUV-LEDs. A defect-sensitive phosphoric acid etch reveals these opencore threading dislocations in the form of large, micron-scale hexagonal etch pits visible with optical microscopy, while closed-core screw-, edge-, and mixed-type threading dislocations are represented by smaller and more numerous nanometer-scale pits visible by atomic-force microscopy. The electrical and optical performances of DUV-LEDs fabricated on similar Si-doped Al0.7Ga0.3N templatesmore » are found to have a strong correlation to the density of these nanopipes, despite their small fraction (<0.1% in this study) of the total density of threading dislocations.« less

Precipitation and Dislocation Strengthening Behaviour of Grade X80 Steel for Pipeline with Strain Based Design

NASA Astrophysics Data System (ADS)

Sun, Weihua; Hu, Shu-e.; Li, Guobao; Yu, Hao

This paper analyzes precipitation and dislocation strengthening behaviors of a 27mm thick Niobium-bearing Grade X80 steel plate for strain based design line pipe manufacture. The steel is produced by thermal-mechanical processing (TMCP) and is characterized with granular bainite and polygonal ferrite microstructure. Mechanical properties of both the steel and the UOE pipe are briefly introduced. Transmission electron microscope (TEM) is used to investigate the fine grain structure, distribution of the precipitates and dislocations in the steel. Precipitate morphologies, volume fractions of M(C,N), M3C, CaS, AlN and Cu are extensively studied respectively by Electrolytic Chemical Phase Analysis (ECPA) and X-ray Small Angle Diffraction (X-ray SAD). Dislocations in the steel are characterized with Positron Annihilation analysis. The results prove that precipitation hardening reveal a 58.1MPa strengthening contribution by the precipitates less than 20nm in size. Dislocation hardening is approximately 176MPa to the present studied steel and 198MPa to the pipe.

Structure and energetics of extended defects in ice Ih

NASA Astrophysics Data System (ADS)

Silva Junior, Domingos L.; de Koning, Maurice

2012-01-01

We consider the molecular structure and energetics of extended defects in proton-disordered hexagonal ice Ih. Using plane-wave density functional theory (DFT) calculations, we compute the energetics of stacking faults and determine the structure of the 30∘ and 90∘ partial dislocations on the basal plane. Consistent with experimental data, the formation energies of all fully reconstructed stacking faults are found to be very low. This is consistent with the idea that basal-plane glide dislocations in ice Ih are dissociated into partial dislocations separated by an area of stacking fault. For both types of partial dislocation we find a strong tendency toward core reconstruction through pairwise hydrogen-bond reformation. In the case of the 30∘ dislocation, the pairwise hydrogen-bond formation leads to a period-doubling core structure equivalent to that seen in zinc-blende semiconductor crystals. For the 90∘ partial we consider two possible core reconstructions, one in which the periodicity of the structure along the core remains unaltered and another in which it is doubled. The latter is preferred, although the energy difference between both is rather small, so that a coexistence of both reconstructions appears plausible. Our results imply that a mobility theory for dislocations on the basal plane in ice Ih should be based on the idea of reconstructed partial dislocations.

A Multi-Scale Simulation Approach to Deformation Mechanism Prediction in Superalloys

NASA Astrophysics Data System (ADS)

Lv, Duchao

High-temperature alloys in general and superalloys in particular are crucial for manufacturing gas turbines for aircraft and power generators. Among the superalloy family, the Ni-based superalloys are the most frequently used due to their excellent strength-to-weight ratio. Their strength results from their ordered intermetallic phases (precipitates), which are relatively stable at elevated temperatures. The major deformation processes of Ni-based and Co-based superalloys are precipitate shearing and Orowan looping. The key to developing physics-based models of creep and yield strength of aircraft engine components is to understand the two deformation mechanisms mentioned above. Recent discoveries of novel dislocation structures and stacking-fault configurations in deformed superalloys implied that the traditional anti-phase boundary (APB)-type, yield-strength model is unable to explain the shearing mechanisms of the gamma" phase in 718-type (Ni-based) superalloys. While the onset of plastic deformation is still related to the formation of highly-energetic stacking faults, the physics-based yield strength prediction requires that the novel dislocation structure and the correct intermediate stacking-fault be considered in the mathematical expressions. In order to obtain the dependence of deformation mechanisms on a materials chemical composition, the relationship between the generalized-stacking-fault (GSF) surface and its chemical composition must be understood. For some deformation scenarios in which one precipitate phase and one mechanism are dominant (e.g., Orowan looping), their use in industry requires a fast-acting model that can capture the features of the deformation (e.g., the volume fraction of the sheared matrix) and reduces lost time by not repeating fine-scale simulations. The objective of this thesis was to develop a multi-scale, physics-based simulation approach that can be used to optimize existing superalloys and to accelerate the design of new alloys. In particular, density functional theory (DFT) was used to calculate the GSF surface of the gamma" phase in the 718-type superalloy. In addition, the deformation pathways inside the gamma" particles were identified, and the dislocation emissions were predicted. Many novel dislocation sources inside the gamma" particles were simulated by using the phase-field method, which predicts and explains the dislocation configurations that appear during the deformation process or that are left as debris. Moreover, based on the stacking-fault energies in the available literature, we calculated the dependence of the chemical composition of the GSF surface of the gamma' phase in Co-based, CoNi-based, and Ni-based superalloys. The phase-field simulation, which used the GSF surfaces as inputs, explained the relationship between the shearing mechanism and chemical composition. Thus, two fast-acting models were developed by using the modified analytic expressions of particle shearing and Orowan looping. These expressions were calibrated by using the GSF surface and the simulation of the phase-field, and they were used to predict the yield strength of 718-type superalloy and the localized creep features of the gamma/gamma' microstructure. The fast-acting yield models were trained by the available experimental results. Since the chemical re-ordering and the segregation effects are not considered in this work, the fast-acting models are designed to the predict mechanical behaviors at the room temperature and the intermediate temperature.

Surface morphology and dislocation characteristics near the surface of 4H-SiC wafer using multi-directional scanning transmission electron microscopy.

PubMed

Sato, Takahiro; Orai, Yoshihisa; Suzuki, Yuya; Ito, Hiroyuki; Isshiki, Toshiyuki; Fukui, Munetoshi; Nakamura, Kuniyasu; Schamp, C T

2017-10-01

To improve the reliability of silicon carbide (SiC) electronic power devices, the characteristics of various kinds of crystal defects should be precisely understood. Of particular importance is understanding the correlation between the surface morphology and the near surface dislocations. In order to analyze the dislocations near the surface of 4H-SiC wafers, a dislocation analysis protocol has been developed. This protocol consists of the following process: (1) inspection of surface defects using low energy scanning electron microscopy (LESEM), (2) identification of small and shallow etch pits using KOH low temperature etching, (3) classification of etch pits using LESEM, (4) specimen preparation of several hundred nanometer thick sample using the in-situ focused ion beam micro-sampling® technique, (5) crystallographic analysis using the selected diffraction mode of the scanning transmission electron microscope (STEM), and (6) determination of the Burgers vector using multi-directional STEM (MD-STEM). The results show a correlation between the triangular terrace shaped surface defects and an hexagonal etch pit arising from threading dislocations, linear shaped surface defects and elliptical shaped etch pits arising from basal plane dislocations. Through the observation of the sample from two orthogonal directions via the MD-STEM technique, a basal plane dislocation is found to dissociate into an extended dislocation bound by two partial dislocations. A protocol developed and presented in this paper enables one to correlate near surface defects of a 4H-SiC wafer with the root cause dislocations giving rise to those surface defects. © The Author 2017. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Infrared absorption band in deformed qtz crystals analyzed by combining different microstructural methods

NASA Astrophysics Data System (ADS)

Stunitz, Holger; Thust, Anja; Behrens, Harald; Heilbronner, Renee; Kilian, Ruediger

2016-04-01

Natural single crystals of quartz have been experimentally deformed in two orientations: (1) normal to one prism-plane, (2) In O+ orientation at temperatures of 900 and 1000°C, pressures of 1.0 and 1.5 GPa, and strain rates of ~1 x 10-6s-1. The starting material is milky quartz, consisting of dry quartz (H2O contents of <150 H/106Si) with fluid inclusions (FI). During pressurization many FÍs decrepitate. Cracks heal and small neonate FÍs form, increasing the number of FÍs drastically. During subsequent deformation, the size of FÍs is further reduced (down to ~10 nm). Sample deformation occurs by dominant dislocation glide on selected slip systems, accompanied by some dynamic recovery. Strongly deformed regions show FTIR spectra with a pointed broad absorption band in the ~3400 cm-1 region as a superposition of molecular H2O bands and three discrete absorption bands (at 3367, 3400, and 3434 cm-1). In addition, there is a discrete absorption band at 3585 cm-1, which only occurs in deformed regions. The 3585 cm-1 band is reduced or even disappears after annealing. This band is polarized and represents structurally bound H, its H-content is estimated to be 1-3% of the total H2O-content and appears to be associated with dislocations. The H2O weakening effect in our FI-bearing natural quartz crystals is assigned to the processes of dislocation generation and multiplication at small FÍs. The deformation processes in these crystals represent a recycling of H2O between FÍs, dislocation generation at very small fluid inclusions, incorporation of structurally bound H into dislocation cores, and release of H2O from dislocations back into FÍs during recovery. Cracking and crack healing play an important role in the recycling process and imply a close interrelationship between brittle and crystal plastic deformation. The H2O weakening by this process is of a disequilibrium nature and thus depends on the amount of H2O available.

Water weakening in experimentally deformed milky quartz single crystals

NASA Astrophysics Data System (ADS)

Stunitz, H.; Thust, A.; Kilian, R.; Heilbronner, R.; Behrens, H.; Tarantola, A.; Fitz Gerald, J. D.

2015-12-01

Natural single crystals of quartz have been experimentally deformed in two orientations: (1) normal to one prism-plane, (2) In O+ orientation at temperatures of 900 and 1000°C, pressures of 1.0 and 1.5 GPa, and strain rates of ~1 x 10-6s-1. The starting material is milky quartz, consisting of dry quartz (H2O contents of <150 H/106Si) with fluid inclusions (FI). During pressurization many FI´s decrepitate. Cracks heal and small neonate FI´s form, increasing the number of FI´s drastically. During subsequent deformation, the size of FI´s is further reduced (down to ~10 nm). Sample deformation occurs by dominant dislocation glide on selected slip systems, accompanied by some dynamic recovery. Strongly deformed regions show FTIR spectra with a pointed broad absorption band in the ~3400 cm-1 region as a superposition of molecular H2O bands and three discrete absorption bands (at 3367, 3400, and 3434 cm-1). In addition, there is a discrete absorption band at 3585 cm-1, which only occurs in deformed regions. The 3585 cm-1 band is reduced or even disappears after annealing. This band is polarized and represents structurally bound H, its H-content is estimated to be 1-3% of the total H2O-content and appears to be associated with dislocations. The H2O weakening effect in our FI-bearing natural quartz crystals is assigned to the processes of dislocation generation and multiplication at small FI´s. The deformation processes in these crystals represent a recycling of H2O between FI´s, dislocation generation at very small fluid inclusions, incorporation of structurally bound H into dislocation cores, and release of H2O from dislocations back into FI´s during recovery. Cracking and crack healing play an important role in the recycling process and imply a close interrelationship between brittle and crystal plastic deformation. The H2O weakening by this process is of a disequilibrium nature and thus depends on the amount of H2O available.

Nanocrystalline copper films are never flat

NASA Astrophysics Data System (ADS)

Zhang, Xiaopu; Han, Jian; Plombon, John J.; Sutton, Adrian P.; Srolovitz, David J.; Boland, John J.

2017-07-01

We used scanning tunneling microscopy to study low-angle grain boundaries at the surface of nearly planar copper nanocrystalline (111) films. The presence of grain boundaries and their emergence at the film surface create valleys composed of dissociated edge dislocations and ridges where partial dislocations have recombined. Geometric analysis and simulations indicated that valleys and ridges were created by an out-of-plane grain rotation driven by reduction of grain boundary energy. These results suggest that in general, it is impossible to form flat two-dimensional nanocrystalline films of copper and other metals exhibiting small stacking fault energies and/or large elastic anisotropy, which induce a large anisotropy in the dislocation-line energy.

Modeling defects and plasticity in MgSiO3 post-perovskite: Part 2-screw and edge [100] dislocations.

PubMed

Goryaeva, Alexandra M; Carrez, Philippe; Cordier, Patrick

In this study, we propose a full atomistic study of [100] dislocations in MgSiO 3 post-perovskite based on the pairwise potential parameterized by Oganov et al. (Phys Earth Planet Inter 122:277-288, 2000) for MgSiO 3 perovskite. We model screw dislocations to identify planes where they glide easier. We show that despite a small tendency to core spreading in {011}, [100] screw dislocations glide very easily (Peierls stress of 1 GPa) in (010) where only Mg-O bonds are to be sheared. Crossing the Si-layers results in a higher lattice friction as shown by the Peierls stress of [100](001): 17.5 GPa. Glide of [100] screw dislocations in {011} appears also to be highly unfavorable. Whatever the planes, (010), (001) or {011}, edge dislocations are characterized by a wider core (of the order of 2 b ). Contrary to screw character, they bear negligible lattice friction (0.1 GPa) for each slip system. The layered structure of post-perovskite results in a drastic reduction in lattice friction opposed to the easiest slip systems compared to perovskite.

What Are the Risk Factors for Dislocation of Hip Bipolar Hemiarthroplasty Through the Anterolateral Approach? A Nested Case-control Study.

PubMed

Li, Lianhua; Ren, Jixin; Liu, Jia; Wang, Hao; Sang, Qinghua; Liu, Zhi; Sun, Tiansheng

2016-12-01

Hip dislocation after treatment of a femoral neck fracture with a hemiarthroplasty remains an important problem in the treatment of hip fractures, but the associations between patient factors and surgical factors, and how these factors contribute to dislocation in patients who have undergone bipolar hemiarthroplasty through an anterolateral approach for femoral neck fracture currently are only poorly characterized. We evaluated patients with bipolar hemiarthroplasty dislocation after surgery for femoral neck fracture treated through an anterolateral approach and asked: (1) What are the frequency, characteristics, and risk factors of bipolar hemiarthroplasty dislocations? (2) What are the frequency, characteristics, and risk factors of bipolar hemiarthroplasty dissociations? A review of hospital records for patients who underwent bipolar hip hemiarthroplasty for femoral neck fracture at one hospital between July 2004 and August 2014 was conducted. During that time, 1428 patients were admitted with a diagnosis of femoral neck fracture; 508 of these patients underwent bipolar hip hemiarthroplasty, of whom 61 died and 23 were lost to followup during the first year, leaving 424 (83%) available for analysis. The remainder of the patients during that time were treated with internal fixation (512), unipoloar hip arthroplasty (17), or THA (391). For each patient with dislocation, we selected five control patients from the cohort according to sex, age (± 3 years), and year of entry in the study to eliminate some confounding factors. We recorded patient characteristics regarding demographics, medical comorbidities, Katz score, American Society of Anesthesiologists score, Mini-Mental State Examination (MMSE) score, and anesthesia type. Medical comorbidities included diabetes, chronic pulmonary disease, heart disease, neuromuscular diseases, and dementia. Univariate analyses were used to search for possible risk factors. Conditional logistic regression analyses on dislocation or dissociation were performed to estimate hazard rates (HRs) and corresponding 95% CIs with covariates of a probability less than 0.1 in univariate analysis. In this cohort, there were 26 dislocations including four that were also dissociations. The proportion of patients experiencing a dislocation was 6% (26 of 424). The mean interval from surgery to dislocation was 56 weeks (range, 0-433 weeks), and 18 dislocations (69%) occurred within 3 months after surgery. Three variables were independently associated with an increased risk of hip dislocation: dementia (HR, 3.51; 95% CI, 1.19-10.38; p = 0.02), discrepancy of offset (HR, 1.72; 95% CI, 1.15-2.58; p = 0.008), and lower MMSE score (HR, 0.93; 95% CI, 0.88-0.98; p = 0.007). The proportion of patients experiencing a dissociation was 0.9% (four of 424). The result of conditional logistic regression for dissociation showed that cup size smaller than 43 mm was the risk factor (HR = 513.05). However, there was no statistical difference with the probability equaling 0.47. After the anterolateral approach for treatment of femoral neck fracture using bipolar hemiarthroplasty, 6% of hips dislocated and 0.9% experienced dissociation. Cognitive dysfunction and discrepancy of offset were independent risk factors associated with an increased risk of prosthetic dislocation. The small cup without a safety ring may be the risk factor of dissociation. Discrepancy of offset should be avoided during the operation by performing an accurate femoral osteotomy and choosing an adequate femoral stem neck length. For patients with cognitive dysfunction and a small cup, suturing the joint capsule during the operation and reinforcing protective measures after surgery might reduce the occurrence of dislocation and dissociation, however a study addressing this is necessary to confirm this. Level III, therapeutic study.

Band-Like Behavior of Localized States of Metal Silicide Precipitate in Silicon

NASA Astrophysics Data System (ADS)

Bondarenko, Anton; Vyvenko, Oleg

2018-03-01

Deep-level transient spectroscopy (DLTS) investigations of energy levels of charge-carrier traps associated with precipitates of metal silicide often show that they behave not like localized monoenergetic traps but as a continuous density of allowed states in the bandgap with fast carrier exchange between these states, so-called band-like behavior. This kind of behavior was ascribed to the dislocation loop bounding the platelet, which in addition exhibits an attractive potential caused by long-range elastic strain. In previous works, the presence of the dislocation-related deformation potential in combination with the external electric field of the Schottky diode was included to obtain a reasonable fit of the proposed model to experimental data. Another well-known particular property of extended defects—the presence of their own strong electric field in their vicinity that is manifested in the logarithmic kinetics of electron capture—was not taken into account. We derive herein a theoretical model that takes into account both the external electric field and the intrinsic electric field of dislocation self-charge as well as its deformation potential, which leads to strong temporal variation of the activation energy during charge-carrier emission. We performed numerical simulations of the DLTS spectra based on such a model for a monoenergetic trap, finding excellent agreement with available experimental data.

In situ synchrotron tensile investigations on 14YWT, MA957, and 9-Cr ODS alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Jun-Li; Mo, Kun; Yun, Di

2016-04-01

Advanced ODS alloys provide exceptional radiation tolerance and high-temperature mechanical properties when compared to traditional ferritic and ferritic/martensitic 9F/M) steels. Their remarkable properties result from ultrahigh density and ultrafine size of Y-Ti-O nanoclusters within the ferritic matrix. In this work, we applied a high-energy synchrotron radiation X-ray to study the deformation process of three advanced ODS materials including 14YWT, MA957, and 9-Cr ODS steel. Only the relatively large nanoparticles in the 9-Cr ODS were observed in the synchrotron X-ray diffraction. The nanoclusters in both 14YWT and MA957 were invisible in the measurement due to their non-stoichiometric nature. Due to themore » different sizes of nanoparticles and nanoclusters in the materials, the Orowan looping was considered to be the major strengthening mechanism in the 9-Cr ODS, while the dispersed-barrier-hardening is dominant strengthening mechanism in both 14YWT and MA957, This analysis was inferred from the different build-up rates of dislocation density when plastic deformation was initiated. Finally, the dislocation densities interpreted from the X-ray measurements were successfully modeled using the Bergstrom's dislocation models. (C) 2016 Elsevier B.V. All rights reserved.« less

Unraveling cyclic deformation mechanisms of a rolled magnesium alloy using in situ neutron diffraction

DOE PAGES

Wu, Wei; An, Ke; Liaw, Peter K.

2014-12-23

In the current study, the deformation mechanisms of a rolled magnesium alloy were investigated under cyclic loading using real-time in situ neutron diffraction under a continuous-loading condition. The relationship between the macroscopic cyclic deformation behavior and the microscopic response at the grain level was established. The neutron diffraction results indicate that more and more grains are involved in the twinning and detwinning deformation process with the increase of fatigue cycles. The residual twins appear in the early fatigue life, which is responsible for the cyclic hardening behavior. The asymmetric shape of the hysteresis loop is attributed to the early exhaustionmore » of the detwinning process during compression, which leads to the activation of dislocation slips and rapid strain-hardening. The critical resolved shear stress for the activation of tensile twinning closely depends on the residual strain developed during cyclic loading. In the cycle before the sample fractured, the dislocation slips became active in tension, although the sample was not fully twinned. The increased dislocation density leads to the rise of the stress concentration at weak spots, which is believed to be the main reason for the fatigue failure. Furthermore, the deformation history greatly influences the deformation mechanisms of hexagonal-close-packed-structured magnesium alloy during cyclic loading.« less

The influence of anisotropy on the core structure of Shockley partial dislocations within FCC materials

NASA Astrophysics Data System (ADS)

Szajewski, B. A.; Hunter, A.; Luscher, D. J.; Beyerlein, I. J.

2018-01-01

Both theoretical and numerical models of dislocations often necessitate the assumption of elastic isotropy to retain analytical tractability in addition to reducing computational load. As dislocation based models evolve towards physically realistic material descriptions, the assumption of elastic isotropy becomes increasingly worthy of examination. We present an analytical dislocation model for calculating the full dissociated core structure of dislocations within anisotropic face centered cubic (FCC) crystals as a function of the degree of material elastic anisotropy, two misfit energy densities on the γ-surface ({γ }{{isf}}, {γ }{{usf}}) and the remaining elastic constants. Our solution is independent of any additional features of the γ-surface. Towards this pursuit, we first demonstrate that the dependence of the anisotropic elasticity tensor on the orientation of the dislocation line within the FCC crystalline lattice is small and may be reasonably neglected for typical materials. With this approximation, explicit analytic solutions for the anisotropic elasticity tensor {B} for both nominally edge and screw dislocations within an FCC crystalline lattice are devised, and employed towards defining a set of effective isotropic elastic constants which reproduce fully anisotropic results, however do not retain the bulk modulus. Conversely, Hill averaged elastic constants which both retain the bulk modulus and reasonably approximate the dislocation core structure are employed within subsequent numerical calculations. We examine a wide range of materials within this study, and the features of each partial dislocation core are sufficiently localized that application of discrete linear elasticity accurately describes the separation of each partial dislocation core. In addition, the local features (the partial dislocation core distribution) are well described by a Peierls-Nabarro dislocation model. We develop a model for the displacement profile which depends upon two disparate dislocation length scales which describe the core structure; (i) the equilibrium stacking fault width between two Shockley partial dislocations, R eq and (ii) the maximum slip gradient, χ, of each Shockley partial dislocation. We demonstrate excellent agreement between our own analytic predictions, numerical calculations, and R eq computed directly by both ab-initio and molecular statics methods found elsewhere within the literature. The results suggest that understanding of various plastic mechanisms, e.g., cross-slip and nucleation may be augmented with the inclusion of elastic anisotropy.

Interfacial diffusion aided deformation during nanoindentation

DOE PAGES

Samanta, Amit; E., Weinan

2015-07-06

Nanoindentation is commonly used to quantify the mechanical response of material surfaces. Despite its widespread use, a detailed understanding of the deformation mechanisms responsible for plasticity during these experiments has remained elusive. Nanoindentation measurements often show stress values close to a material’s ideal strength which suggests that dislocation nucleation and subsequent dislocation activity dominates the deformation. However, low strain-rate exponents and small activation volumes have also been reported which indicates high temperature sensitivity of the deformation processes. Using an order parameter aided temperature accelerated sampling technique called adiabatic free energy dynamics [J. B. Abrams and M. E. Tuckerman, J. Phys.more » Chem. B, 112, 15742 (2008)], and molecular dynamics we have probed the diffusive mode of deformation during nanoindentation. Localized processes such as surface vacancy and ad-atom pair formation, vacancy diffusion are found to play an important role during indentation. Furthermore, our analysis suggests a change in the dominant deformation mode from dislocation mediated plasticity to diffusional flow at high temperatures, slow indentation rates and small indenter tip radii.« less

Irradiation-induced β to α SiC transformation at low temperature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parish, Chad M.; Koyanagi, Takaaki; Kondo, Sosuke

Here, we observed that β-SiC, neutron irradiated to 9 dpa (displacements per atom) at ≈1440 °C, began transforming to α-SiC, with radiation-induced Frank dislocation loops serving as the apparent nucleation sites. 1440 °C is a far lower temperature than usual β → α phase transformations in SiC. SiC is considered for applications in advanced nuclear systems, as well as for electronic or spintronic applications requiring ion irradiation processing. β-SiC, preferred for nuclear applications, is metastable and undergoes a phase transformation at high temperatures (typically 2000 °C and above). Nuclear reactor concepts are not expected to reach the very high temperaturesmore » for thermal transformation. However, our results indicate incipient β → α phase transformation, in the form of small (~5–10 nm) pockets of α-SiC forming in the β matrix. In service transformation could degrade structural stability and fuel integrity for SiC-based materials operated in this regime. However, engineering this transformation deliberately using ion irradiation could enable new electronic applications.« less

Irradiation-induced β to α SiC transformation at low temperature

DOE PAGES

Parish, Chad M.; Koyanagi, Takaaki; Kondo, Sosuke; ...

2017-04-26

Here, we observed that β-SiC, neutron irradiated to 9 dpa (displacements per atom) at ≈1440 °C, began transforming to α-SiC, with radiation-induced Frank dislocation loops serving as the apparent nucleation sites. 1440 °C is a far lower temperature than usual β → α phase transformations in SiC. SiC is considered for applications in advanced nuclear systems, as well as for electronic or spintronic applications requiring ion irradiation processing. β-SiC, preferred for nuclear applications, is metastable and undergoes a phase transformation at high temperatures (typically 2000 °C and above). Nuclear reactor concepts are not expected to reach the very high temperaturesmore » for thermal transformation. However, our results indicate incipient β → α phase transformation, in the form of small (~5–10 nm) pockets of α-SiC forming in the β matrix. In service transformation could degrade structural stability and fuel integrity for SiC-based materials operated in this regime. However, engineering this transformation deliberately using ion irradiation could enable new electronic applications.« less

Microstructural effects on the room and elevated temperature low cycle fatigue behavior of Waspaloy. M.S. Thesis Final Report

NASA Technical Reports Server (NTRS)

Lerch, B. A.

1982-01-01

Longitudinal specimens of Waspaloy containing either coarse grains with small gamma or fine grains with large gamma were tested in air at a frequency of 0.33 Hz or 0.50 Hz. The coarse grained structures exhibited planar slip on (III) planes and precipitate shearing at all temperatures. Cracks initiated by a Stage 1 mechanism and propagated by a striation forming mechanism. At 700 C and 800 C, cleavage and intergranular cracking were observed. Testing at 500 C, 700 C, and 800 C caused precipitation of grain boundary carbides. At 700 C, carbides precipitated on slip bands. The fine grained structures exhibited planar slip on (111) planes. Dislocations looped the large gamma precipitates. This structure led to stress saturation and propagation was observed. Increasing temperatures resulted in increased specimen oxidation for both heat treatments. Slip band and grain boundary oxidation were observed. At 800 C, oxidized grain boundaries were cracked by intersecting slip bands which resulted in intergranular failure. The fine specimens had crack initiation later in the fatigue life, but with more rapid propagation crack propagation.

Microchemical and microstructural evolution of AISI 304 stainless steel irradiated in EBR-II at PWR-relevant dpa rates

NASA Astrophysics Data System (ADS)

Dong, Y.; Sencer, B. H.; Garner, F. A.; Marquis, E. A.

2015-12-01

AISI 304 stainless steel was irradiated at 416 °C and 450 °C at a 4.4 × 10-9 and 3.05 × 10-7 dpa/s to ∼0.4 and ∼28 dpa, respectively, in the reflector of the EBR-II fast reactor. Both unirradiated and irradiated conditions were examined using standard and scanning transmission electron microscopy, energy dispersive spectroscopy, and atom probe tomography on very small specimens produced by focused ion beam milling. These results are compared with previous electron microscopy examination of 3 mm disks from essentially the same material. By comparing a very low dose specimen with a much higher dose specimen, both derived from a single reactor assembly, it has been demonstrated that the coupled microstructural and microchemical evolution of dislocation loops and other sinks begins very early, with elemental segregation producing at these sinks what appears to be measurable precursors to fully formed precipitates found at higher doses. The nature of these sinks and their possible precursors are examined in detail.

75 FR 16576 - Credit for Renewable Electricity Production, Refined Coal Production, and Indian Coal Production...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-01

..., open-loop biomass, geothermal energy, solar energy, small irrigation power, municipal solid waste... electricity produced from closed-loop biomass, open-loop biomass, geothermal energy, solar energy, small... electricity produced from the qualified energy resources of wind, closed-loop biomass, geothermal energy, and...

77 FR 21835 - Credit for Renewable Electricity Production, Refined Coal Production, and Indian Coal Production...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-11

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76 FR 21947 - Credit for Renewable Electricity Production, Refined Coal Production, and Indian Coal Production...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-19

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High-quality III-nitride films on conductive, transparent (2̅01)-oriented β-Ga2O3 using a GaN buffer layer

PubMed Central

Muhammed, M. M.; Roldan, M. A.; Yamashita, Y.; Sahonta, S.-L.; Ajia, I. A.; Iizuka, K.; Kuramata, A.; Humphreys, C. J.; Roqan, I. S.

2016-01-01

We demonstrate the high structural and optical properties of InxGa1−xN epilayers (0 ≤ x ≤ 23) grown on conductive and transparent (01)-oriented β-Ga2O3 substrates using a low-temperature GaN buffer layer rather than AlN buffer layer, which enhances the quality and stability of the crystals compared to those grown on (100)-oriented β-Ga2O3. Raman maps show that the 2″ wafer is relaxed and uniform. Transmission electron microscopy (TEM) reveals that the dislocation density reduces considerably (~4.8 × 107 cm−2) at the grain centers. High-resolution TEM analysis demonstrates that most dislocations emerge at an angle with respect to the c-axis, whereas dislocations of the opposite phase form a loop and annihilate each other. The dislocation behavior is due to irregular (01) β-Ga2O3 surface at the interface and distorted buffer layer, followed by relaxed GaN epilayer. Photoluminescence results confirm high optical quality and time-resolved spectroscopy shows that the recombination is governed by bound excitons. We find that a low root-mean-square average (≤1.5 nm) of InxGa1−xN epilayers can be achieved with high optical quality of InxGa1−xN epilayers. We reveal that (01)-oriented β-Ga2O3 substrate has a strong potential for use in large-scale high-quality vertical light emitting device design. PMID:27412372

High-quality III-nitride films on conductive, transparent (2̅01)-oriented β-Ga2O3 using a GaN buffer layer.

PubMed

Muhammed, M M; Roldan, M A; Yamashita, Y; Sahonta, S-L; Ajia, I A; Iizuka, K; Kuramata, A; Humphreys, C J; Roqan, I S

2016-07-14

We demonstrate the high structural and optical properties of InxGa1-xN epilayers (0 ≤ x ≤ 23) grown on conductive and transparent (01)-oriented β-Ga2O3 substrates using a low-temperature GaN buffer layer rather than AlN buffer layer, which enhances the quality and stability of the crystals compared to those grown on (100)-oriented β-Ga2O3. Raman maps show that the 2″ wafer is relaxed and uniform. Transmission electron microscopy (TEM) reveals that the dislocation density reduces considerably (~4.8 × 10(7) cm(-2)) at the grain centers. High-resolution TEM analysis demonstrates that most dislocations emerge at an angle with respect to the c-axis, whereas dislocations of the opposite phase form a loop and annihilate each other. The dislocation behavior is due to irregular (01) β-Ga2O3 surface at the interface and distorted buffer layer, followed by relaxed GaN epilayer. Photoluminescence results confirm high optical quality and time-resolved spectroscopy shows that the recombination is governed by bound excitons. We find that a low root-mean-square average (≤1.5 nm) of InxGa1-xN epilayers can be achieved with high optical quality of InxGa1-xN epilayers. We reveal that (01)-oriented β-Ga2O3 substrate has a strong potential for use in large-scale high-quality vertical light emitting device design.

Microstructural defects in He-irradiated polycrystalline α-SiC at 1000 °C

NASA Astrophysics Data System (ADS)

Han, Wentuo; Li, Bingsheng

2018-06-01

In order to investigate the effect of the high-temperature irradiation on microstructural evolutions of the polycrystalline SiC, an ion irradiation at 1000 °C with the 500 keV He2+ was imposed to the α-SiC. The platelets, He bubbles, dislocation loops, and particularly, their interaction with the stacking fault and grain boundaries were focused on and characterized by the cross-sectional transmission electron microscopy (XTEM). The platelets expectably exhibit a dominant plane of (0001), while planes of (01-10) and (10-16) are also found. Inside the platelet, the over-pressurized bubbles exist and remarkably cause a strong-strain zone surrounding the platelet. The disparate roles between the grain boundaries and stacking faults in interacting with the bubbles and loops are found. The results are compared with the previous weighty findings and discussed.

The inverse hall-petch relation in nanocrystalline metals: A discrete dislocation dynamics analysis

NASA Astrophysics Data System (ADS)

Quek, Siu Sin; Chooi, Zheng Hoe; Wu, Zhaoxuan; Zhang, Yong Wei; Srolovitz, David J.

2016-03-01

When the grain size in polycrystalline materials is reduced to the nanometer length scale (nanocrystallinity), observations from experiments and atomistic simulations suggest that the yield strength decreases (softening) as the grain size is decreased. This is in contrast to the Hall-Petch relation observed in larger sized grains. We incorporated grain boundary (GB) sliding and dislocation emission from GB junctions into the classical DDD framework, and recovered the smaller is weaker relationship observed in nanocrystalline materials. This current model shows that the inverse Hall-Petch behavior can be obtained through a relief of stress buildup at GB junctions from GB sliding by emitting dislocations from the junctions. The yield stress is shown to vary with grain size, d, by a d 1 / 2 relationship when grain sizes are very small. However, pure GB sliding alone without further plastic accomodation by dislocation emission is grain size independent.

Lattice strain in irradiated materials unveils a prevalent defect evolution mechanism

NASA Astrophysics Data System (ADS)

Debelle, Aurélien; Crocombette, Jean-Paul; Boulle, Alexandre; Chartier, Alain; Jourdan, Thomas; Pellegrino, Stéphanie; Bachiller-Perea, Diana; Carpentier, Denise; Channagiri, Jayanth; Nguyen, Tien-Hien; Garrido, Frédérico; Thomé, Lionel

2018-01-01

Modification of materials using ion beams has become a widespread route to improve or design materials for advanced applications, from ion doping for microelectronic devices to emulation of nuclear reactor environments. Yet, despite decades of studies, major issues regarding ion/solid interactions are not solved, one of them being the lattice-strain development process in irradiated crystals. In this work, we address this question using a consistent approach that combines x-ray diffraction (XRD) measurements with both molecular dynamics (MD) and rate equation cluster dynamics (RECD) simulations. We investigate four distinct materials that differ notably in terms of crystalline structure and nature of the atomic bonding. We demonstrate that these materials exhibit a common behavior with respect to the strain development process. In fact, a strain build-up followed by a strain relaxation is observed in the four investigated cases. The strain variation is unambiguously ascribed to a change in the defect configuration, as revealed by MD simulations. Strain development is due to the clustering of interstitial defects into dislocation loops, while the strain release is associated with the disappearance of these loops through their integration into a network of dislocation lines. RECD calculations of strain depth profiles, which are in agreement with experimental data, indicate that the driving force for the change in the defect nature is the defect clustering process. This study paves the way for quantitative predictions of the microstructure changes in irradiated materials.

Dislocations in bilayer graphene

NASA Astrophysics Data System (ADS)

Butz, Benjamin; Dolle, Christian; Niekiel, Florian; Weber, Konstantin; Waldmann, Daniel; Weber, Heiko B.; Meyer, Bernd; Spiecker, Erdmann

2014-01-01

Dislocations represent one of the most fascinating and fundamental concepts in materials science. Most importantly, dislocations are the main carriers of plastic deformation in crystalline materials. Furthermore, they can strongly affect the local electronic and optical properties of semiconductors and ionic crystals. In materials with small dimensions, they experience extensive image forces, which attract them to the surface to release strain energy. However, in layered crystals such as graphite, dislocation movement is mainly restricted to the basal plane. Thus, the dislocations cannot escape, enabling their confinement in crystals as thin as only two monolayers. To explore the nature of dislocations under such extreme boundary conditions, the material of choice is bilayer graphene, the thinnest possible quasi-two-dimensional crystal in which such linear defects can be confined. Homogeneous and robust graphene membranes derived from high-quality epitaxial graphene on silicon carbide provide an ideal platform for their investigation. Here we report the direct observation of basal-plane dislocations in freestanding bilayer graphene using transmission electron microscopy and their detailed investigation by diffraction contrast analysis and atomistic simulations. Our investigation reveals two striking size effects. First, the absence of stacking-fault energy, a unique property of bilayer graphene, leads to a characteristic dislocation pattern that corresponds to an alternating ABAC change of the stacking order. Second, our experiments in combination with atomistic simulations reveal a pronounced buckling of the bilayer graphene membrane that results directly from accommodation of strain. In fact, the buckling changes the strain state of the bilayer graphene and is of key importance for its electronic properties. Our findings will contribute to the understanding of dislocations and of their role in the structural, mechanical and electronic properties of bilayer and few-layer graphene.

Dislocations in bilayer graphene.

PubMed

Butz, Benjamin; Dolle, Christian; Niekiel, Florian; Weber, Konstantin; Waldmann, Daniel; Weber, Heiko B; Meyer, Bernd; Spiecker, Erdmann

2014-01-23

Dislocations represent one of the most fascinating and fundamental concepts in materials science. Most importantly, dislocations are the main carriers of plastic deformation in crystalline materials. Furthermore, they can strongly affect the local electronic and optical properties of semiconductors and ionic crystals. In materials with small dimensions, they experience extensive image forces, which attract them to the surface to release strain energy. However, in layered crystals such as graphite, dislocation movement is mainly restricted to the basal plane. Thus, the dislocations cannot escape, enabling their confinement in crystals as thin as only two monolayers. To explore the nature of dislocations under such extreme boundary conditions, the material of choice is bilayer graphene, the thinnest possible quasi-two-dimensional crystal in which such linear defects can be confined. Homogeneous and robust graphene membranes derived from high-quality epitaxial graphene on silicon carbide provide an ideal platform for their investigation. Here we report the direct observation of basal-plane dislocations in freestanding bilayer graphene using transmission electron microscopy and their detailed investigation by diffraction contrast analysis and atomistic simulations. Our investigation reveals two striking size effects. First, the absence of stacking-fault energy, a unique property of bilayer graphene, leads to a characteristic dislocation pattern that corresponds to an alternating AB B[Symbol: see text]AC change of the stacking order. Second, our experiments in combination with atomistic simulations reveal a pronounced buckling of the bilayer graphene membrane that results directly from accommodation of strain. In fact, the buckling changes the strain state of the bilayer graphene and is of key importance for its electronic properties. Our findings will contribute to the understanding of dislocations and of their role in the structural, mechanical and electronic properties of bilayer and few-layer graphene.

Breakdown Degradation Associated with Elementary Screw Dislocations in 4H-SiC P(+)N Junction Rectifiers

NASA Technical Reports Server (NTRS)

Neudeck, P. G.; Huang, W.; Dudley, M.

1998-01-01

It is well-known that SiC wafer quality deficiencies are delaying the realization of outstandingly superior 4H-SiC power electronics. While efforts to date have centered on eradicating micropipes (i.e., hollow core super-screw dislocations with Burgers vector greater than 2c), 4H-SiC wafers and epilayers also contain elementary screw dislocations (i.e., Burgers vector = lc with no hollow core) in densities on the order of thousands per sq cm, nearly 100-fold micropipe densities. This paper describes an initial study into the impact of elementary screw dislocations on the reverse-bias current-voltage (I-V) characteristics of 4H-SiC p(+)n diodes. First, Synchrotron White Beam X-ray Topography (SWBXT) was employed to map the exact locations of elementary screw dislocations within small-area 4H-SiC p(+)n mesa diodes. Then the high-field reverse leakage and breakdown properties of these diodes were subsequently characterized on a probing station outfitted with a dark box and video camera. Most devices without screw dislocations exhibited excellent characteristics, with no detectable leakage current prior to breakdown, a sharp breakdown I-V knee, and no visible concentration of breakdown current. In contrast devices that contained at least one elementary screw dislocation exhibited a 5% to 35% reduction in breakdown voltage, a softer breakdown I-V knee, and visible microplasmas in which highly localized breakdown current was concentrated. The locations of observed breakdown microplasmas corresponded exactly to the locations of elementary screw dislocations identified by SWBXT mapping. While not as detrimental to SiC device performance as micropipes, the undesirable breakdown characteristics of elementary screw dislocations could nevertheless adversely affect the performance and reliability of 4H-SiC power devices.

Observations of Screw Dislocation Driven Growth and Faceting During CVD Homoepitaxy on 4H-SiC On-Axis Mesa Arrays

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Trunek, Andrew J.; Powell, J. Anthony; Picard, Yoosuf N.; Twigg, Mark E.

2009-01-01

Previous studies of (0001) homoepitaxial growth carried out on arrays of small-area mesas etched into on-axis silicon-face 4H-SiC wafers have demonstrated that spiral growth emanating from at least one screw dislocation threading the mesa is necessary in order for a mesa to grow taller in the <0001> (c-axis vertical) direction while maintaining 4H stacking sequence [1]. However, even amongst mesas containing the screw dislocation step source necessary for vertical c-axis growth, we have observed striking differences in the height and faceting that evolve during prolonged homoepitaxial growths. This paper summarizes Atomic Force Microscopy (AFM), Electron Channeling Contrast Imaging (ECCI), Scanning Electron Microscopy (SEM), and optical microscopy observations of this phenomenon. These observations support our initially proposed model [2] that the observed large variation (for mesas where 3C-SiC nucleation has not occurred) is related to the lateral positioning of a screw dislocation step source within each etched mesa. When the screw dislocation step source is located close enough to the developing edge/sidewall facet of a mesa, the c-axis growth rate and facet angle are affected by the resulting interaction. In particular, the intersection (or near intersection) of the inward-sloping mesa sidewall facet with the screw dislocation appears to impede the rate at which the spiral provides new steps required for c-axis growth. Also, the inward slope of the sidewall facet during growth (relative to other sidewalls of the same mesa not near the screw dislocation) seems to be impeded by the screw dislocation. In contrast, mesas whose screw dislocations are centrally located grow vertically, but inward sloping sidewall facets shrink the area of the top (0001) growth surface almost to the point of vanishing.

Plastic deformation of tubular crystals by dislocation glide.

PubMed

Beller, Daniel A; Nelson, David R

2016-09-01

Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical phyllotaxis, describing the spiral packings on cylinders commonly found in nature, have found application in all these systems. Several recent studies have examined defects in tubular crystals associated with crystalline packings that must accommodate a fixed tube radius. Here we study the mechanics of tubular crystals with variable tube radius, with dislocations interposed between regions of different phyllotactic packings. Unbinding and separation of dislocation pairs with equal and opposite Burgers vectors allow the growth of one phyllotactic domain at the expense of another. In particular, glide separation of dislocations offers a low-energy mode for plastic deformations of solid tubes in response to external stresses, reconfiguring the lattice step by step. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, the mechanics of dislocation glide. We also discuss how a sufficiently strong bending rigidity can alter or arrest the deformations of tubes with small radii.

Plastic deformation of tubular crystals by dislocation glide

NASA Astrophysics Data System (ADS)

Beller, Daniel A.; Nelson, David R.

2016-09-01

Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical phyllotaxis, describing the spiral packings on cylinders commonly found in nature, have found application in all these systems. Several recent studies have examined defects in tubular crystals associated with crystalline packings that must accommodate a fixed tube radius. Here we study the mechanics of tubular crystals with variable tube radius, with dislocations interposed between regions of different phyllotactic packings. Unbinding and separation of dislocation pairs with equal and opposite Burgers vectors allow the growth of one phyllotactic domain at the expense of another. In particular, glide separation of dislocations offers a low-energy mode for plastic deformations of solid tubes in response to external stresses, reconfiguring the lattice step by step. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, the mechanics of dislocation glide. We also discuss how a sufficiently strong bending rigidity can alter or arrest the deformations of tubes with small radii.

GaN microrod sidewall epitaxial lateral overgrowth on a close-packed microrod template

NASA Astrophysics Data System (ADS)

Duan, Xiaoling; Zhang, Jincheng; Xiao, Ming; Zhang, Jinfeng; Hao, Yue

2018-05-01

We demonstrate a GaN growth method using microrod sidewall epitaxial lateral overgrowth (MSELO) on a close-packed microrod template by a nonlithographic technique. The density and distribution of threading dislocations were determined by the density and distribution of microrods and the nucleation model. MSELO exhibited two different nucleation models determined by the direction and degree of substrate misorientation and the sidewall curvature: one-sidewall and three-sidewall nucleation, predicting the dislocation density values. As a result, the threading dislocation density was markedly decreased from 2 × 109 to 5 × 107 cm‑2 with a small coalescence thickness of ∼2 µm for the close-packed 3000 nm microrod sample.

The effect of carbon on the microstructures, mechanical properties, and deformation mechanisms of thermo-mechanically treated Fe 40.4Ni 11.3Mn 34.8Al 7.5Cr 6 high entropy alloys

DOE PAGES

Wang, Zhangwei; Baker, Ian; Guo, Wei; ...

2017-03-01

We investigated the effects of cold rolling followed by annealing on the mechanical properties and dislocation substructure evolution of undoped and 1.1 at. % carbon-doped Fe 40.4Ni 11.3Mn 34.8Al 7.5Cr 6 high entropy alloys (HEAs). X-ray diffraction, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and atom probe tomography (APT) were employed to characterize the microstructures. The as-cast HEAs were coarse-grained and single phase f.c.c., whereas the thermo-mechanical treatment caused recrystallization (to fine grain sizes) and precipitation (a B2 phase for the undoped HEA; and a B2 phase, and M 23C 6 and M 7C 3 carbides for the C-dopedmore » HEA). Carbon, which was found to have segregated to the grain boundaries using APT, retarded recrystallization. The reduction in grain size resulted in a sharp increase in strength, while the precipitation, which produced only a small increase in strength, probably accounted for the small decrease in ductility for both undoped and C-doped HEAs. For both undoped and C-doped HEAs, the smaller grain-sized material initially exhibited higher strain hardening than the coarse-grained material but showed a much lower strain hardening at large tensile strains. Wavy slip in the undoped HEAs and planar slip in C-doped HEAs were found at the early stages of deformation irrespective of grain size. At higher strains, dislocation cell structures formed in the 19 μm grain-sized undoped HEA, while microbands formed in the 23 μm grain-sized C-doped HEA. Conversely, localized dislocation clusters were found in both HEAs at the finest grain sizes (5 μm). The inhibition of grain subdivision by the grain boundaries and precipitates lead to the transformation from regular dislocation configurations consisting of dislocation-cells and microbands to irregular dislocation configurations consisting of localized dislocation clusters, which further account for the decrease in ductility. Our investigation of the formation mechanism and strain hardening of dislocation cells and microbands could benefit future structural material design.« less

A Dislocation Model of Seismic Wave Attenuation and Micro-creep in the Earth: Harold Jeffreys and the Rheology of the Solid Earth

NASA Astrophysics Data System (ADS)

Karato, S.

A microphysical model of seismic wave attenuation is developed to provide a physical basis to interpret temperature and frequency dependence of seismic wave attenuation. The model is based on the dynamics of dislocation motion in minerals with a high Peierls stress. It is proposed that most of seismic wave attenuation occurs through the migration of geometrical kinks (micro-glide) and/or nucleation/migration of an isolated pair of kinks (Bordoni peak), whereas the long-term plastic deformation involves the continuing nucleation and migration of kinks (macro-glide). Kink migration is much easier than kink nucleation, and this provides a natural explanation for the vast difference in dislocation mobility between seismic and geological time scales. The frequency and temperature dependences of attenuation depend on the geometry and dynamics of dislocation motion both of which affect the distribution of relaxation times. The distribution of relaxation times is largely controlled by the distribution in distance between pinning points of dislocations, L, and the observed frequency dependence of Q, Q, Q ωα is shown to require a distribution function of P(L) L-m with m=4-2α The activation energy of Q-1 in minerals with a high Peierls stress corresponds to that for kink nucleation and is similar to that of long-term creep. The observed large lateral variation in Q-1 strongly suggests that the Q-1 in the mantle is frequency dependent. Micro-deformation with high dislocation mobility will (temporarily) cease when all the geometrical kinks are exhausted. For a typical dislocation density of 108 m-2, transient creep with small viscosity related to seismic wave attenuation will persist up to the strain of 10-6, thus even a small strain ( 10-6-10-4) process such as post-glacial rebound is only marginally affected by this type of anelastic relaxation. At longer time scales continuing nucleation of kinks becomes important and enables indefinitely large strain, steady-state creep, causing viscous behavior.

Study of Bulk and Elementary Screw Dislocation Assisted Reverse Breakdown in Low-Voltage (less than 250 V) 4H-SiC p(+)n Junction diodes. Part 1; DC Properties

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Huang, Wei; Dudley, Michael

1998-01-01

Given the high density (approx. 10(exp 4)/sq cm) of elementary screw dislocations (Burgers vector = 1c with no hollow core) in commercial SiC wafers and epilayers, all appreciable current (greater than 1 A) SiC power devices will likely contain elementary screw dislocations for the foreseeable future. It is therefore important to ascertain the electrical impact of these defects, particularly in high-field vertical power device topologies where SiC is expected to enable large performance improvements in solid-state high-power systems. This paper compares the DC-measured reverse-breakdown characteristics of low-voltage (less than 250 V) small-area (less than 5 x 10(exp -4)/sq cm) 4H-SiC p(+)n diodes with and without elementary screw dislocations. Compared to screw dislocation-free devices, diodes containing elementary screw dislocations exhibited higher pre-breakdown reverse leakage currents, softer reverse breakdown I-V knees, and highly localized microplasmic breakdown current filaments. The observed localized 4H-SiC breakdown parallels microplasmic breakdowns observed in silicon and other semiconductors, in which space-charge effects limit current conduction through the local microplasma as reverse bias is increased.

Study of Bulk and Elementary Screw Dislocation Assisted Reverse Breakdown in Low-Voltage (<250 V) 4H-SiC p+n Junction Diodes - Part 1: DC Properties

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Huang, Wei; Dudley, Michael

1999-01-01

Given the high density (approx. 10(exp 4)/sq cm) of elementary screw dislocations (Burgers vector = lc with no hollow core) in commercial SiC wafers and epilayers, all appreciable current (greater than 1 A) SiC power devices will likely contain elementary screw dislocations for the foreseeable future. It is therefore important to ascertain the electrical impact of these defects, particularly in high-field vertical power device topologies where SiC is expected to enable large performance improvements in solid-state high-power systems. This paper compares the DC-measured reverse-breakdown characteristics of low-voltage (less than 250 V) small-area (less than 5 x 10(exp -4) sq cm) 4H-SiC p(+)n diodes with and without elementary screw dislocations. Compared to screw dislocation-free devices, diodes containing elementary screw dislocations exhibited higher pre-breakdown reverse leakage currents, softer reverse breakdown I-V knees, and highly localized microplasmic breakdown current filaments. The observed localized 4H-SiC breakdown parallels microplasmic breakdowns observed in silicon and other semiconductors, in which space-charge effects limit current conduction through the local microplasma as reverse bias is increased.

Crystal plasticity modeling of irradiation growth in Zircaloy-2

NASA Astrophysics Data System (ADS)

Patra, Anirban; Tomé, Carlos N.; Golubov, Stanislav I.

2017-08-01

A physically based reaction-diffusion model is implemented in the visco-plastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. The reaction-diffusion model accounts for the defects produced by the cascade of displaced atoms, their diffusion to lattice sinks and the contribution to crystallographic strain at the level of single crystals. The VPSC framework accounts for intergranular interactions and irradiation creep, and calculates the strain in the polycrystalline ensemble. A novel scheme is proposed to model the simultaneous evolution of both, number density and radius, of irradiation-induced dislocation loops directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behaviour of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture and external stress on the coupled irradiation growth and creep behaviour are also studied and compared with available experimental data.

Modified closed-loop double-endobutton technique for repair of rockwood type III acromioclavicular dislocation

PubMed Central

Zhang, Lei; Zhou, Xin; Qi, Ji; Zeng, Yan; Zhang, Shaoqun; Liu, Gang; Ping, Ruiyue; Li, Yikai; Fu, Shijie

2018-01-01

Acromioclavicular dislocation (ACD) is a common injury. According to the Rockwood classification, ACD is classified into six types (type I–VI); however, for type III injuries, it remains controversial whether or not operative treatment should be applied. Numerous studies have advocated early surgical treatment to ensure early rehabilitation activities. Thus, the present study aimed to investigate a modified closed-loop double-endobutton technique (MCDT), that may be used to repair Rockwood type III ACD. In the current study, 61 patients with Rockwood type III ACD were enrolled during a period of 5 years at the Affiliated Traditional Chinese Medicine Hospital of Southwest Medical University. Patients were divided into three groups according to the surgical method used, the MCDT group (n=20), the common closed-loop double-endobutton technique (CCDT) group (n=21), and the clavicular hook plate fixation (CHPF) group (n=20). Preoperative and intraoperative information were recorded. Furthermore, the functional scores of injured shoulder were evaluated prior to surgery and following surgery with a 1-year follow-up. Among the three groups, postoperative functional scores were significantly more improved compared with those prior to surgery (P<0.05), and no significant difference was observed regarding the coracoclavicular interval with the 1-year follow-up (P>0.05). Postoperative functional scores in the MCDT and CCDT groups were significantly more improved compared those in the CHPF group (P<0.05). In addition, the duration of surgery in the MCDT group was significantly shorter compared with that in the CCDT group (P<0.05). Furthermore, compared with the CHPF group, the incision length was significantly shorter with reduced hemorrhage in the MCDT group (P<0.05). In conclusion, the results of the current study suggest that MCDT is more simple, convenient and efficient compared with CCDT, and is worth popularizing. PMID:29399102

Correlation of EBIC and SWBXT Imaged Defects and Epilayer Growth Pits in 6H-SiC Schottky Diodes

NASA Technical Reports Server (NTRS)

Schnable, C. M.; Tabib-Azar, M.; Neudeck, P. G.; Bailey, S. G.; Su, H. B.; Dudley, M.; Raffaelle, R. P.

2000-01-01

We show the first direct experimental correlation between the presence of closed core screw dislocations in 6H-SiC epilayers with recombination centers, as well as with some of the small growth pits on the epilayer surface in lightly-doped 6H-SiC Schottky diodes. At every Synchrotron White-Beam X-ray Topography (SWBXT)-identified closed core screw dislocation, an Electron Beam Induced Current (EBIC) image showed a dark spot indicating a recombination center, and Nomarski optical microscope and Atomic Force Microscope (AFM) images showed a corresponding small growth pit with a sharp apex on the surface of the epilayer.

Modification of the crystal structure of gadolinium gallium garnet by helium ion irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ostafiychuk, B. K.; Yaremiy, I. P., E-mail: yaremiy@rambler.ru; Yaremiy, S. I.

2013-12-15

The structure of gadolinium gallium garnet (GGG) single crystals before and after implantation by He{sup +} ions has been investigated using high-resolution X-ray diffraction methods and the generalized dynamic theory of X-ray scattering. The main types of growth defects in GGG single crystals and radiation-induced defects in the ion-implanted layer have been determined. It is established that the concentration of dislocation loops in the GGG surface layer modified by ion implantation increases and their radius decreases with an increase in the implantation dose.

Fundamental Studies of Irradiation-Induced Modifications in Microstructural Evolution and Mechanical Properties of Advanced Alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stubbins, James; Heuser, Brent; Hosemann, Peter

This final technical report summarizes the research performed during October 2014 and December 2017, with a focus on investigating the radiation-induced microstructural and mechanical property modifications in optimized advanced alloys for sodium-cooled fast reactor (SFR) structural applications. To accomplish these objectives, the radiation responses of several different advanced alloys, including austenitic steel Alloy 709 (A709) and 316H, and ferritic/ martensitic Fe–9Cr steels T91 and G92, were investigated using a combination of microstructure characterizations and nanoindentation measurements. Different types of irradiation, including ex situ bulk ion irradiation and in situ transmission electron microscopy (TEM) ion irradiation, were employed in this study.more » Radiation-induced dislocations, precipitates, and voids were characterized by TEM. Scanning transmission electron microscopy with energy dispersive X-ray spectroscopy (STEM-EDS) and/or atom probe tomography (APT) were used to study radiation-induced segregation and precipitation. Nanoindentation was used for hardness measurements to study irradiation hardening. Austenitic A709 and 316H was bulk-irradiated by 3.5 MeV Fe ++ ions to up to 150 peak dpa at 400, 500, and 600°. Compared to neutron-irradiated stainless steel (SS) 316, the Frank loop density of ion-irradiated A709 shows similar dose dependence at 400°, but very different temperature dependence. Due to the noticeable difference in the initial microstructure of A709 and 316H, no systematic comparison on the Frank loops in A709 vs 316H was made. It would be helpful that future ion irradiation study on 316 stainless steel could be conducted to directly compare the temperature dependence of Frank loop density in ion-irradiated 316 SS with that in neutron-irradiated 316 SS. In addition, future neutron irradiation on A709 at 400–600° at relative high dose (≥10 dpa) can be carried out to compare with ion-irradiated A709. The radiation-induced segregation (RIS) of Ni and Si was observed in both A709 and 316H in all irradiated conditions and was found at various sinks: line dislocations, dislocation loops, void surfaces, carbide-matrix interfaces, etc. Radiation also induced the formation of Ni,Si-rich precipitates. As suggested in a previous study on neutron-irradiated 316 stainless steel, one possible consequence of the significant RIS of Si is that the enrichment at defect sinks depletes the silicon in the matrix, which can lead to enhanced void nucleation rate. The enrichment of Ni and Si is accompanied by the depletion of Cr at defect sinks, which could also affect the corrosion resistance. Radiation-induced change in the orientation relationship of pre-existing MX precipitates was observed at 600°. It is believed that this change is associated with the network dislocations formed under irradiation. The underlying mechanism is still not well understood. This change could be a positive indication that the MX precipitates can survive high density network dislocations. It would be helpful if neutron irradiation at similar dose conditions could be carried out to verify that this effect is not unique for ion irradiation. Intragranular Cr-rich carbides with a core-shell structure, i.e. Cr-rich carbide core and Ni,Si-rich shell was found at 500° and 600° in the highest dose (150 peak dpa) specimens. Coarse voids (30 nm in diameter) were only commonly found at 500° in the 50 and 150 peak dpa specimens in regions less than 750 nm in depth. The highest swelling for A709 irradiated to 50 and 150 peak dpa at 500° is about 0.44% and 0.37%, respectively. Due to the choice of 100 degree temperature intervals, this study did not attempt to precisely identify peak void swelling conditions, merely the range of irradiation temperatures where this could be a concern. It is known high-dose ion irradiation can significantly suppress void nucleation. Future neutron irradiation in the 500–600° range (without considering the temperature shift) is needed to determine the onset of accelerated void swelling (possibly at lower dose).« less

Mini-filament Eruption as the Initiation of a Jet along Coronal Loops

NASA Astrophysics Data System (ADS)

Hong, Junchao; Jiang, Yunchun; Yang, Jiayan; Yang, Bo; Xu, Zhe; Xiang, Yongyuan

2016-10-01

Minifilament eruptions (MFEs) and coronal jets are different types of solar small-scale explosive events. We report an MFE observed at the New Vacuum Solar Telescope (NVST). As seen in the NVST Hα images, during the rising phase, the minifilament erupts outward orthogonally to its length, accompanied with a flare-like brightening at the bottom. Afterward, dark materials are found to possibly extend along the axis of the expanded filament body. The MFE is analogous to large filament eruptions. However, a simultaneous observation of the Solar Dynamics Observatory shows that a jet is initiated and flows out along nearby coronal loops during the rising phase of the MFE. Meanwhile, small hot loops, which connect the original eruptive site of the minifilament to the footpoints of the coronal loops, are formed successively. A differential emission measure analysis demonstrates that, on the top of the new small loops, a hot cusp structure exists. We conjecture that the magnetic fields of the MFE interact with magnetic fields of the coronal loops. This interaction is interpreted as magnetic reconnection that produces the jet and the small hot loops.

Observation of partial relaxation mechanisms via anisotropic strain relief on epitaxial islands using semiconductor nanomembranes

NASA Astrophysics Data System (ADS)

Rosa, Barbara L. T.; Marçal, Lucas A. B.; Ribeiro Andrade, Rodrigo; Dornellas Pinto, Luciana; Rodrigues, Wagner N.; Lustoza Souza, Patrícia; Pamplona Pires, Mauricio; Wagner Nunes, Ricardo; Malachias, Angelo

2017-07-01

In this work we attempt to directly observe anisotropic partial relaxation of epitaxial InAs islands using transmission electron microscopy (TEM) and synchrotron x-ray diffraction on a 15 nm thick InAs:GaAs nanomembrane. We show that under such conditions TEM provides improved real-space statistics, allowing the observation of partial relaxation processes that were not previously detected by other techniques or by usual TEM cross section images. Besides the fully coherent and fully relaxed islands that are known to exist above previously established critical thickness, we prove the existence of partially relaxed islands, where incomplete 60° half-loop misfit dislocations lead to a lattice relaxation along one of the <110> directions, keeping a strained lattice in the perpendicular direction. Although individual defects cannot be directly observed, their implications to the resulting island registry are identified and discussed within the frame of half-loops propagations.

Observation of partial relaxation mechanisms via anisotropic strain relief on epitaxial islands using semiconductor nanomembranes.

PubMed

Rosa, Barbara L T; Marçal, Lucas A B; Andrade, Rodrigo Ribeiro; Pinto, Luciana Dornellas; Rodrigues, Wagner N; Souza, Patrícia Lustoza; Pires, Mauricio Pamplona; Nunes, Ricardo Wagner; Malachias, Angelo

2017-07-28

In this work we attempt to directly observe anisotropic partial relaxation of epitaxial InAs islands using transmission electron microscopy (TEM) and synchrotron x-ray diffraction on a 15 nm thick InAs:GaAs nanomembrane. We show that under such conditions TEM provides improved real-space statistics, allowing the observation of partial relaxation processes that were not previously detected by other techniques or by usual TEM cross section images. Besides the fully coherent and fully relaxed islands that are known to exist above previously established critical thickness, we prove the existence of partially relaxed islands, where incomplete 60° half-loop misfit dislocations lead to a lattice relaxation along one of the 〈110〉 directions, keeping a strained lattice in the perpendicular direction. Although individual defects cannot be directly observed, their implications to the resulting island registry are identified and discussed within the frame of half-loops propagations.

Strengthening due to Cr-rich precipitates in Fe-Cr alloys: Effect of temperature and precipitate composition

NASA Astrophysics Data System (ADS)

Terentyev, D.; Hafez Haghighat, S. M.; Schäublin, R.

2010-03-01

Molecular dynamics (MD) simulations were carried out to study the interaction between nanometric Cr precipitates and a 1/2 ⟨111⟩{110} edge dislocation (ED) in pure Fe and Fe-9 at. % Cr (Fe-9Cr) random alloy. The aim of this work is to estimate the variation in the pinning strength of the Cr precipitate as a function of temperature, its chemical composition and the matrix composition in which the precipitate is embedded. The dislocation was observed to shear Cr precipitates rather than by-pass via the formation of the Orowan loop, even though a pronounced screw dipole was emerged in the reactions with the precipitates of size larger than 4.5 nm. The screw arms of the formed dipole were not observed to climb thus no point defects were left inside the sheared precipitates, irrespective of simulation temperature. Both Cr solution and Cr precipitates, embedded in the Fe-9Cr matrix, were seen to contribute to the flow stress. The decrease in the flow stress with temperature in the alloy containing Cr precipitates is, therefore, related to the simultaneous change in the matrix friction stress, precipitate resistance, and dislocation flexibility. Critical stress estimated from MD simulations was seen to have a strong dependence on the precipitate composition. If the latter decreases from 95% down to 80%, the corresponding critical stress decreases almost as twice. The results presented here suggest a significant contribution to the flow stress due to the α -α' separation, at least for EDs. The obtained data can be used to validate and to parameterize dislocation dynamics models, where the temperature dependence of the obstacle strength is an essential input data.

Deformation twinning in irradiated ferritic/martensitic steels

NASA Astrophysics Data System (ADS)

Wang, K.; Dai, Y.; Spätig, P.

2018-04-01

Two different ferritic/martensitic steels were tensile tested to gain insight into the mechanisms of embrittlement induced by the combined effects of displacement damage and helium after proton/neutron irradiation in SINQ, the Swiss spallation neutron source. The irradiation conditions were in the range: 15.8-19.8 dpa (displacement per atom) with 1370-1750 appm He at 245-300 °C. All the samples fractured in brittle mode with intergranular or cleavage fracture surfaces when tested at room temperature (RT) or 300 °C. After tensile test, transmission electron microscopy (TEM) was employed to investigate the deformation microstructures. TEM-lamella samples were extracted directly below the intergranular fracture surfaces or cleavage surfaces by using the focused ion beam technique. Deformation twinning was observed in irradiated specimens at high irradiation dose. Only twins with {112} plane were observed in all of the samples. The average thickness of twins is about 40 nm. Twins initiated at the fracture surface, became gradually thinner with distance away from the fracture surface and finally stopped in the matrix. Novel features such as twin-precipitate interactions, twin-grain boundary and/or twin-lath boundary interactions were observed. Twinning bands were seen to be arrested by grain boundaries or large precipitates, but could penetrate martensitic lath boundaries. Unlike the case of defect free channels, small defect-clusters, dislocation loops and dense small helium bubbles were observed inside twins.

The evolution of helium from aged Zr tritides: A thermal helium desorption spectrometry study

NASA Astrophysics Data System (ADS)

Cheng, G. J.; Huang, G.; Chen, M.; Zhou, X. S.; Liu, J. H.; Peng, S. M.; Ding, W.; Wang, H. F.; Shi, L. Q.

2018-02-01

The evolution of He from Zr-tritides was investigated for aging times up to about 6.5 years using analytical thermal helium desorption spectrometry (THDS). Zr films were deposited onto Mo substrates and then converted into Zr-tritides (ZrT1.70∼1.95) inside a tritiding apparatus loaded with pure tritium gas. During aging, there are at least five forms of He in Zr-tritides, and more than 99% of He atoms are in the form of He bubbles. The isolated He bubbles in lattices begin to link with each other when the He/Zr atom ratio reaches about 0.21, and are connected to grain boundaries or dislocation networks at He concentration of He/Zr ≈ 0.26. An interconnected system of channels decorated by bubbles evolves from the network dislocations, dislocation loops and internal boundaries. These He filled networks are formed completely when the He/Zr atom ratio is about 0.38. Once the He/Zr reached about 0.45, the networks of He bubble penetrate to the film surface and He begins an "accelerated release". This critical ratio of He to Zr for He accelerated release is much greater than that found previously for Ti-tritides (0.23-0.30). The difference of He retention in Zr-tritides and Ti-tritides was also discussed in this paper.

DEFORMATION PROCESSES IN MATERIALS. Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Washburn, J.; Parker, E.R.; Tinder, R.F.

1962-08-01

It was found that irreversible plastic deformation occurs in polycrystaliine specimens of zinc, copper and its dilute alloys, and aluminum at room temperature, beginning at stresses indetectably above zero applied stress. Neither Frank-Read source generation nor simple bowing of dislocations between fixed nodes can explain the irreversible plastic behavior observed at small stresses in the metals studied. More extensive rearrangements of the dislocation substructure that probably involve glide of nodes and formation of new nodes seem to be required. Prestrained specimens of copper and its dilute alloys often exhibited bursts of plastic deformation which could possibly be due to cooperativemore » rearrangement of the dislocation substructure in one or a few grains. The introduction, by particle bombardment, of new lengths of dislocations into the gage section surface of specimens of copper and its dilute alloys produced extensive irreversible plastic flow beginning at stresses indetectably above zero applied stress. The effect of prestraln on the shape of the loading and unloading curves for zinc shows that dislocation rearrangements that cause forward and reverse strain can occur simultaneously. The net strain rate can be the algebraic sum of the strain recovery rate and the forward creep rate. The present quantitative theories of the Peierls-Nabarro stress are insufficient to permit an estimate of its magnitude from the results of this investigation. In dilute copper alloys containing up to 0.1 at.% impurity, there were many dislocations in the grown-in networks that were not locked by segregation of the foreign atoms. The study of creep behavior over a range of temperatures and at the same strain sensitivity used in these experiments combined with dislocation etch pit observations of dislocation substructure appears to be a particularly fruitful field for further investigation. (auth)« less

Generation of phase edge singularities by coplanar three-beam interference and their detection.

PubMed

Patorski, Krzysztof; Sluzewski, Lukasz; Trusiak, Maciej; Pokorski, Krzysztof

2017-02-06

In recent years singular optics has gained considerable attention in science and technology. Up to now optical vortices (phase point dislocations) have been of main interest. This paper presents the first general analysis of formation of phase edge singularities by coplanar three-beam interference. They can be generated, for example, by three-slit interference or self-imaging in the Fresnel diffraction field of a sinusoidal grating. We derive a general condition for the ratio of amplitudes of interfering beams resulting in phase edge dislocations, lateral separation of dislocations depends on this ratio as well. Analytically derived properties are corroborated by numerical and experimental studies. We develop a simple, robust, common path optical self-imaging configuration aided by a coherent tilted reference wave and spatial filtering. Finally, we propose an automatic fringe pattern analysis technique for detecting phase edge dislocations, based on the continuous wavelet transform. Presented studies open new possibilities for developing grating based sensing techniques for precision metrology of very small phase differences.

Geometrically Necessary Dislocation Density Evolution in Interstitial Free Steel at Small Plastic Strains

NASA Astrophysics Data System (ADS)

Kundu, Amrita; Field, David P.

2018-06-01

Measurement of geometrically necessary dislocation (GND) density using electron backscatter diffraction (EBSD) has become rather common place in modern metallurgical research. The utility of this measure as an indicator of the expected flow behavior of the material is not obvious. Incorporation of total dislocation density into the Taylor equation relating flow stress to dislocation density is generally accepted, but this does not automatically extend to a similar relationship for the GND density. This is discussed in the present work using classical equations for isotropic metal plasticity in a rather straight-forward theoretical framework. This investigation examines the development of GND structure in a commercially produced interstitial free steel subject to tensile deformation. Quantification of GND density was carried out using conventional EBSD at various strain levels on the surface of a standard dog-bone-shaped tensile specimen. There is linear increase of the average GND density with imposed macroscopic strain. This is in agreement with the established framework.

Study of Bulk and Elementary Screw Dislocation Assisted Reverse Breakdown in Low-Voltage (< 250 V) 4H-SiC p(sup +)n Junction Diodes--Part II: Dynamic Breakdown Properties. Part 2; Dynamic Breakdown Properties

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Fazi, Christian

1999-01-01

This paper outlines the dynamic reverse-breakdown characteristics of low-voltage (<250 V) small-area <5 x 10(exp -4) sq cm 4H-SiC p(sup +)n diodes subjected to nonadiabatic breakdown-bias pulsewidths ranging from 0.1 to 20 microseconds. 4H-SiC diodes with and without elementary screw dislocations exhibited positive temperature coefficient of breakdown voltage and high junction failure power densities approximately five times larger than the average failure power density of reliable silicon pn rectifiers. This result indicates that highly reliable low-voltage SiC rectifiers may be attainable despite the presence of elementary screw dislocations. However, the impact of elementary screw dislocations on other more useful 4H-SiC power device structures, such as high-voltage (>1 kV) pn junction and Schottky rectifiers, and bipolar gain devices (thyristors, IGBT's, etc.) remains to be investigated.

Gravity and gravity gradient changes caused by a point dislocation

NASA Astrophysics Data System (ADS)

Huang, Jian-Liang; Li, Hui; Li, Rui-Hao

1995-02-01

In this paper we studied gravitational potential, gravity and its gradient changes, which are caused by a point dislocation, and gave the concise mathematical deduction with definite physical implication in dealing with the singular integral at a seismic source. We also analysed the features of the fields of gravity and gravity gradient, gravity-vertical-displacement gradient. The conclusions are: (1) Gravity and gravity gradient changes are very small with the change of vertical position; (2) Gravity change is much greater than the gravity gradient change which is not so distinct; (3) The gravity change due to redistribution of mass accounts for 10 50 percent of the total gravity change caused by dislocation. The signs (positive or negative) of total gravity change and vertical displacement are opposite each other at the same point for strike slip and dip slip; (4) Gravity-vertical-displacement-gradient is not constant; it manifests a variety of patterns for different dislocation models; (5) Gravity-vertical-displacement-gradient is approximately equal to apparent gravity-vertical-displacement-gradient.

Atomistic modeling of Mg/Nb interfaces: shear strength and interaction with lattice glide dislocations

DOE PAGES

Yadav, Satyesh Kumar; Shao, S.; Chen, Youxing; ...

2017-10-17

Here, using a newly developed embedded-atom-method potential for Mg–Nb, the semi-coherent Mg/Nb interface with the Kurdjumov–Sachs orientation relationship is studied. Atomistic simulations have been carried out to understand the shear strength of the interface, as well as the interaction between lattice glide dislocations and the interface. The interface shear mechanisms are dependent on the shear loading directions, through either interface sliding between Mg and Nb atomic layers or nucleation and gliding of Shockley partial dislocations in between the first two atomic planes in Mg at the interface. The shear strength for the Mg/Nb interface is found to be generally high,more » in the range of 0.9–1.3 GPa depending on the shear direction. As a consequence, the extents of dislocation core spread into the interface are considerably small, especially when compared to the case of other “weak” interfaces such as the Cu/Nb interface.« less

Bending energy of buckled edge dislocations

NASA Astrophysics Data System (ADS)

Kupferman, Raz

2017-12-01

The study of elastic membranes carrying topological defects has a longstanding history, going back at least to the 1950s. When allowed to buckle in three-dimensional space, membranes with defects can totally relieve their in-plane strain, remaining with a bending energy, whose rigidity modulus is small compared to the stretching modulus. In this paper we study membranes with a single edge dislocation. We prove that the minimum bending energy associated with strain-free configurations diverges logarithmically with the size of the system.

The Weighted Burgers Vector: a new quantity for constraining dislocation densities and types using electron backscatter diffraction on 2D sections through crystalline materials.

PubMed

Wheeler, J; Mariani, E; Piazolo, S; Prior, D J; Trimby, P; Drury, M R

2009-03-01

The Weighted Burgers Vector (WBV) is defined here as the sum, over all types of dislocations, of [(density of intersections of dislocation lines with a map) x (Burgers vector)]. Here we show that it can be calculated, for any crystal system, solely from orientation gradients in a map view, unlike the full dislocation density tensor, which requires gradients in the third dimension. No assumption is made about gradients in the third dimension and they may be non-zero. The only assumption involved is that elastic strains are small so the lattice distortion is entirely due to dislocations. Orientation gradients can be estimated from gridded orientation measurements obtained by EBSD mapping, so the WBV can be calculated as a vector field on an EBSD map. The magnitude of the WBV gives a lower bound on the magnitude of the dislocation density tensor when that magnitude is defined in a coordinate invariant way. The direction of the WBV can constrain the types of Burgers vectors of geometrically necessary dislocations present in the microstructure, most clearly when it is broken down in terms of lattice vectors. The WBV has three advantages over other measures of local lattice distortion: it is a vector and hence carries more information than a scalar quantity, it has an explicit mathematical link to the individual Burgers vectors of dislocations and, since it is derived via tensor calculus, it is not dependent on the map coordinate system. If a sub-grain wall is included in the WBV calculation, the magnitude of the WBV becomes dependent on the step size but its direction still carries information on the Burgers vectors in the wall. The net Burgers vector content of dislocations intersecting an area of a map can be simply calculated by an integration round the edge of that area, a method which is fast and complements point-by-point WBV calculations.

Glancing-incidence focussed ion beam milling: A coherent X-ray diffraction study of 3D nano-scale lattice strains and crystal defects

DOE PAGES

Hofmann, Felix; Harder, Ross J.; Liu, Wenjun; ...

2018-05-11

Here, this study presents a detailed examination of the lattice distortions introduced by glancing incidence Focussed Ion Beam (FIB) milling. Using non-destructive multi-reflection Bragg coherent X-ray diffraction we probe damage formation in an initially pristine gold micro-crystal following several stages of FIB milling. These experiments allow access to the full lattice strain tensor in the micro-crystal with ~25 nm 3D spatial resolution, enabling a nano-scale analysis of residual lattice strains and defects formed. Our results show that 30 keV glancing incidence milling produces fewer large defects than normal incidence milling at the same energy. However the resulting residual lattice strainsmore » have similar magnitude and extend up to ~50 nm into the sample. At the edges of the milled surface, where the ion-beam tails impact the sample at near-normal incidence, large dislocation loops with a range of Burgers vectors are formed. Further glancing incidence FIB polishing with 5 keV ion energy removes these dislocation loops and reduces the lattice strains caused by higher energy FIB milling. However, even at the lower ion energy, damage-induced lattice strains are present within a ~20 nm thick surface layer. These results highlight the need for careful consideration and management of FIB damage. They also show that low-energy FIB-milling is an effective tool for removing FIB-milling induced lattice strains. This is important for the preparation of micro-mechanical test specimens and strain microscopy samples.« less

Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ′ Microstructures

PubMed Central

Prakash, Aruna; Bitzek, Erik

2017-01-01

Single-crystal Ni-base superalloys, consisting of a two-phase γ/γ′ microstructure, retain high strengths at elevated temperatures and are key materials for high temperature applications, like, e.g., turbine blades of aircraft engines. The lattice misfit between the γ and γ′ phases results in internal stresses, which significantly influence the deformation and creep behavior of the material. Large-scale atomistic simulations that are often used to enhance our understanding of the deformation mechanisms in such materials must accurately account for such misfit stresses. In this work, we compare the internal stresses in both idealized and experimentally-informed, i.e., more realistic, γ/γ′ microstructures. The idealized samples are generated by assuming, as is frequently done, a periodic arrangement of cube-shaped γ′ particles with planar γ/γ′ interfaces. The experimentally-informed samples are generated from two different sources to produce three different samples—the scanning electron microscopy micrograph-informed quasi-2D atomistic sample and atom probe tomography-informed stoichiometric and non-stoichiometric atomistic samples. Additionally, we compare the stress state of an idealized embedded cube microstructure with finite element simulations incorporating 3D periodic boundary conditions. Subsequently, we study the influence of the resulting stress state on the evolution of dislocation loops in the different samples. The results show that the stresses in the atomistic and finite element simulations are almost identical. Furthermore, quasi-2D boundary conditions lead to a significantly different stress state and, consequently, different evolution of the dislocation loop, when compared to samples with fully 3D boundary conditions. PMID:28772453

Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ' Microstructures.

PubMed

Prakash, Aruna; Bitzek, Erik

2017-01-23

Single-crystal Ni-base superalloys, consisting of a two-phase γ / γ ' microstructure, retain high strengths at elevated temperatures and are key materials for high temperature applications, like, e.g., turbine blades of aircraft engines. The lattice misfit between the γ and γ ' phases results in internal stresses, which significantly influence the deformation and creep behavior of the material. Large-scale atomistic simulations that are often used to enhance our understanding of the deformation mechanisms in such materials must accurately account for such misfit stresses. In this work, we compare the internal stresses in both idealized and experimentally-informed, i.e., more realistic, γ / γ ' microstructures. The idealized samples are generated by assuming, as is frequently done, a periodic arrangement of cube-shaped γ ' particles with planar γ / γ ' interfaces. The experimentally-informed samples are generated from two different sources to produce three different samples-the scanning electron microscopy micrograph-informed quasi-2D atomistic sample and atom probe tomography-informed stoichiometric and non-stoichiometric atomistic samples. Additionally, we compare the stress state of an idealized embedded cube microstructure with finite element simulations incorporating 3D periodic boundary conditions. Subsequently, we study the influence of the resulting stress state on the evolution of dislocation loops in the different samples. The results show that the stresses in the atomistic and finite element simulations are almost identical. Furthermore, quasi-2D boundary conditions lead to a significantly different stress state and, consequently, different evolution of the dislocation loop, when compared to samples with fully 3D boundary conditions.

Glancing-incidence focussed ion beam milling: A coherent X-ray diffraction study of 3D nano-scale lattice strains and crystal defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hofmann, Felix; Harder, Ross J.; Liu, Wenjun

Here, this study presents a detailed examination of the lattice distortions introduced by glancing incidence Focussed Ion Beam (FIB) milling. Using non-destructive multi-reflection Bragg coherent X-ray diffraction we probe damage formation in an initially pristine gold micro-crystal following several stages of FIB milling. These experiments allow access to the full lattice strain tensor in the micro-crystal with ~25 nm 3D spatial resolution, enabling a nano-scale analysis of residual lattice strains and defects formed. Our results show that 30 keV glancing incidence milling produces fewer large defects than normal incidence milling at the same energy. However the resulting residual lattice strainsmore » have similar magnitude and extend up to ~50 nm into the sample. At the edges of the milled surface, where the ion-beam tails impact the sample at near-normal incidence, large dislocation loops with a range of Burgers vectors are formed. Further glancing incidence FIB polishing with 5 keV ion energy removes these dislocation loops and reduces the lattice strains caused by higher energy FIB milling. However, even at the lower ion energy, damage-induced lattice strains are present within a ~20 nm thick surface layer. These results highlight the need for careful consideration and management of FIB damage. They also show that low-energy FIB-milling is an effective tool for removing FIB-milling induced lattice strains. This is important for the preparation of micro-mechanical test specimens and strain microscopy samples.« less

78 FR 20176 - Credit for Renewable Electricity Production, Refined Coal Production, and Indian Coal Production...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-03

... electricity from closed-loop biomass, open-loop biomass, geothermal energy, solar energy, small irrigation..., geothermal energy, solar energy, small irrigation power, municipal solid waste, qualified hydropower... from the qualified energy resources of wind, closed-loop biomass, geothermal energy, and solar energy...

Characterization of deformation mechanisms in zirconium alloys: effect of temperature and irradiation

NASA Astrophysics Data System (ADS)

Long, Fei

Zirconium alloys have been widely used in the CANDU (CANada Deuterium Uranium) reactor as core structural materials. Alloy such as Zircaloy-2 has been used for calandria tubes; fuel cladding; the pressure tube is manufactured from alloy Zr-2.5Nb. During in-reactor service, these alloys are exposed to a high flux of fast neutron at elevated temperatures. It is important to understand the effect of temperature and irradiation on the deformation mechanism of zirconium alloys. Aiming to provide experimental guidance for future modeling predictions on the properties of zirconium alloys this thesis describes the result of an investigation of the change of slip and twinning modes in Zircaloy-2 and Zr-2.5Nb as a function of temperature and irradiation. The aim is to provide scientific fundamentals and experimental evidences for future industry modeling in processing technique design, and in-reactor property change prediction of zirconium components. In situ neutron diffraction mechanical tests carried out on alloy Zircaloy-2 at three temperatures: 100¢ªC, 300¢ªC, and 500¢ªC, and described in Chapter 3. The evolution of the lattice strain of individual grain families in the loading and Poisson's directions during deformation, which probes the operation of slip and twinning modes at different stress levels, are described. By using the same type of in situ neutron diffraction technique, tests on Zr-2.5Nb pressure tube material samples, in either the fast-neutron irradiated or un-irradiated condition, are reported in Chapter 4. In Chapter 5, the measurement of dislocation density by means of line profile analysis of neutron diffraction patterns, as well as TEM observations of the dislocation microstructural evolution, is described. In Chapter 6 a hot-rolled Zr-2.5Nb with a larger grain size compared with the pressure tubing was used to study the development of dislocation microstructures with increasing plastic strain. In Chapter 7, in situ loading of heavy ion irradiated hot-rolled Zr-2.5Nb alloy is described, providing evidence for the interaction between moving dislocations and irradiation induced loops. Chapter 8 gives the effect on the dislocation structure of different levels of compressive strains along two directions in the hot-rolled Zr-2.5Nb alloy. By using high resolution neutron diffraction and TEM observations, the evolution of type and dislocation densities, as well as changes of dislocation microstructure with plastic strain were characterized.

A continuum dislocation dynamics framework for plasticity of polycrystalline materials

NASA Astrophysics Data System (ADS)

Askari, Hesam Aldin

The objective of this research is to investigate the mechanical response of polycrystals in different settings to identify the mechanisms that give rise to specific response observed in the deformation process. Particularly the large deformation of magnesium alloys and yield properties of copper in small scales are investigated. We develop a continuum dislocation dynamics framework based on dislocation mechanisms and interaction laws and implement this formulation in a viscoplastic self-consistent scheme to obtain the mechanical response in a polycrystalline system. The versatility of this method allows various applications in the study of problems involving large deformation, study of microstructure and its evolution, superplasticity, study of size effect in polycrystals and stochastic plasticity. The findings from the numerical solution are compared to the experimental results to validate the simulation results. We apply this framework to study the deformation mechanisms in magnesium alloys at moderate to fast strain rates and room temperature to 450 °C. Experiments for the same range of strain rates and temperatures were carried out to obtain the mechanical and material properties, and to compare with the numerical results. The numerical approach for magnesium is divided into four main steps; 1) room temperature unidirectional loading 2) high temperature deformation without grain boundary sliding 3) high temperature with grain boundary sliding mechanism 4) room temperature cyclic loading. We demonstrate the capability of our modeling approach in prediction of mechanical properties and texture evolution and discuss the improvement obtained by using the continuum dislocation dynamics method. The framework was also applied to nano-sized copper polycrystals to study the yield properties at small scales and address the observed yield scatter. By combining our developed method with a Monte Carlo simulation approach, the stochastic plasticity at small length scales was studied and the sources of the uncertainty in the polycrystalline structure are discussed. Our results suggest that the stochastic response is mainly because of a) stochastic plasticity due to dislocation substructure inside crystals and b) the microstructure of the polycrystalline material. The extent of the uncertainty is correlated to the "effective cell length" in the sampling procedure whether using simulations and experimental approach.

Large femoral heads decrease the incidence of dislocation after total hip arthroplasty: a randomized controlled trial.

PubMed

Howie, Donald W; Holubowycz, Oksana T; Middleton, Robert

2012-06-20

The use of larger femoral heads has been proposed to reduce the risk of dislocation after total hip arthroplasty, but there is a lack of evidence to support this proposal. The aim of this multicenter randomized controlled trial was to determine whether the incidence of dislocation one year after total hip arthroplasty is significantly lower in association with the use of a 36-mm femoral head articulation as compared with a 28-mm articulation. Six hundred and forty-four middle-aged and elderly patients undergoing primary or revision arthroplasty were randomized intraoperatively to receive either a 36 or 28-mm metal femoral head on highly cross-linked polyethylene. Patients who were at high risk of dislocation (including those with dementia and neuromuscular disease) and those undergoing revision for the treatment of recurrent hip dislocation or infection were excluded. Patients were stratified according to other potential risk factors for dislocation, including diagnosis and age. Diagnosis of hip dislocation required confirmation by a physician and radiographic evidence of a dislocation. Overall, at one year of follow-up, hips with a 36-mm femoral head articulation had a significantly lower incidence of dislocation than did those with a 28-mm articulation (1.3% [four of 299] compared with 5.4% [seventeen of 316]; difference, 4.1% [95% confidence interval, 1.2% to 7.2%]) when controlling for the type of procedure (primary or revision) (p = 0.012). The incidence of dislocation following primary arthroplasty was also significantly lower for hips with a 36-mm femoral head articulation than for those with a 28-mm articulation (0.8% [two of 258] compared with 4.4% [twelve of 275]; difference, 3.6% [95% confidence interval, 0.9% to 6.8%]) (p = 0.024). The incidence of dislocation following revision arthroplasty was 4.9% (two of forty-one) for hips with a 36-mm articulation and 12.2% (five of forty-one) for hips with a 28-mm articulation; this difference was not significant with the relatively small sample size of the revision group (difference, 7.3% [95% confidence interval, -5.9% to 21.1%]) (p = 0.273). Compared with a 28-mm femoral head articulation, a larger 36-mm articulation resulted in a significantly decreased incidence of dislocation in the first year following primary total hip arthroplasty. However, before a 36-mm metal-on-highly cross-linked polyethylene articulation is widely recommended, the incidence of late dislocation, wear, periprosthetic osteolysis, and liner fracture should be established.

Cyclic deformation of NI/sub 3/(Al,Nb) single crystals at ambient and elevated temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bonda, N.R.

Cyclic tests were performed on Ni/sub 3/(Al,Nb) (..gamma..' phase) single crystals by using a servo-hydraulic machine under fully reversed plastic strain control at a frequency of 0.1-0.2 Hz at room temperature, 400/sup 0/C and 700/sup 0/C. Since the monotonic behavior is orientation dependent, three orientations were studied. Asymmetry in tensile and compressive stresses was observed in the cyclic hardening curves of specimens tested at these temperatures and they were discussed with regard to the model suggested by Paider et al for monotonic behavior. The stress levels in the cyclic stress-strain curves (CSSC) at room temperature depended on orientation and cyclicmore » history. No CSSCs were established at 400/sup 0/C and 700/sup 0/C. The deformation in cyclic tests at small plastic strain amplitudes was found to be different from that in monotonic tests in the microplastic regions in which the deformation is believed to be carried by a small density of edge dislocations. But in cyclic deformation, to and from motion of dislocations trap the edge dislocations into dipoles and therefore screw dislocations will be forced to participate in the deformation. Cracks on the surfaces of specimens tested at room temperature and 400/sup 0/C were found to be of stage I type, whereas at 700/sup 0/C, they were of stage II type.« less

Study of self-ion irradiated nanostructured ferritic alloy (NFA) and silicon carbide-nanostructured ferritic alloy (SiC-NFA) cladding materials

NASA Astrophysics Data System (ADS)

Ning, Kaijie; Bai, Xianming; Lu, Kathy

2018-07-01

Silicon carbide-nanostructured ferritic alloy (SiC-NFA) materials are expected to have the beneficial properties of each component for advanced nuclear claddings. Fabrication of pure NFA (0 vol% SiC-100 vol% NFA) and SiC-NFAs (2.5 vol% SiC-97.5 vol% NFA, 5 vol% SiC-95 vol% NFA) has been reported in our previous work. This paper is focused on the study of radiation damage in these materials under 5 MeV Fe++ ion irradiation with a dose up to ∼264 dpa. It is found that the material surfaces are damaged to high roughness with irregularly shaped ripples, which can be explained by the Bradley-Harper (B-H) model. The NFA matrix shows ion irradiation induced defect clusters and small dislocation loops, while the crystalline structure is maintained. Reaction products of Fe3Si and Cr23C6 are identified in the SiC-NFA materials, with the former having a partially crystalline structure but the latter having a fully amorphous structure upon irradiation. The different radiation damage behaviors of NFA, Fe3Si, and Cr23C6 are explained using the defect reaction rate theory.

Computational study of dislocation based mechanisms in FCC materials

NASA Astrophysics Data System (ADS)

Yellakara, Ranga Nikhil

Understanding the relationships between microstructures and properties of materials is a key to developing new materials with more suitable qualities or employing the appropriate materials in special uses. In the present world of material research, the main focus is on microstructural control to cost-effectively enhance properties and meet performance specifications. This present work is directed towards improving the fundamental understanding of the microscale deformation mechanisms and mechanical behavior of metallic alloys, particularly focusing on face centered cubic (FCC) structured metals through a unique computational methodology called three-dimensional dislocation dynamics (3D-DD). In these simulations, the equations of motion for dislocations are mathematically solved to determine the evolution and interaction of dislocations. Microstructure details and stress-strain curves are a direct observation in the simulation and can be used to validate experimental results. The effect of initial dislocation microstructure on the yield strength has been studied. It has been shown that dislocation density based crystal plasticity formulations only work when dislocation densities/numbers are sufficiently large so that a statistically accurate description of the microstructure can be obtainable. The evolution of the flow stress for grain sizes ranging from 0.5 to 10 mum under uniaxial tension was simulated using an improvised model by integrating dislocation pile-up mechanism at grain boundaries has been performed. This study showed that for a same initial dislocation density, the Hall--Petch relationship holds well at small grain sizes (0.5--2 mum), beyond which the yield strength remains constant as the grain size increases. Various dislocation-particle interaction mechanisms have been introduced and investigations were made on their effect on the uniaxial tensile properties. These studies suggested that increase in particle volume fraction and decrease in particle size has contributed to the strength of these alloys. This work has been successful of capturing complex dislocation mechanisms that involves interactions with particles during the deformation of particle hardened FCC alloys. Finally, the DD model has been extended into studying the cyclic behavior of FCC metallic alloys. This study showed that the strength as well as the cyclic hardening increases due to grain refinement and increase in particle volume fraction. It also showed that the cyclic deformation of ultra-fine grained (UFG) material have undergone cyclic softening at all plastic strain amplitudes. The results provided very useful quantitative information for developing future fatigue models.

Suppression of transient enhanced diffusion in sub-micron patterned silicon template by dislocation loops formation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Kuan-Kan; Woon, Wei Yen; Chang, Ruey-Dar

We investigate the evolution of two dimensional transient enhanced diffusion (TED) of phosphorus in sub-micron scale patterned silicon template. Samples doped with low dose phosphorus with and without high dose silicon self-implantation, were annealed for various durations. Dopant diffusion is probed with plane-view scanning capacitance microscopy. The measurement revealed two phases of TED. Significant suppression in the second phase TED is observed for samples with high dose self-implantation. Transmission electron microscopy suggests the suppressed TED is related to the evolution of end of range defect formed around ion implantation sidewalls.

Suppression of transient enhanced diffusion in sub-micron patterned silicon template by dislocation loops formation

NASA Astrophysics Data System (ADS)

Hu, Kuan-Kan; Chang, Ruey-Dar; Woon, Wei Yen

2015-10-01

We investigate the evolution of two dimensional transient enhanced diffusion (TED) of phosphorus in sub-micron scale patterned silicon template. Samples doped with low dose phosphorus with and without high dose silicon self-implantation, were annealed for various durations. Dopant diffusion is probed with plane-view scanning capacitance microscopy. The measurement revealed two phases of TED. Significant suppression in the second phase TED is observed for samples with high dose self-implantation. Transmission electron microscopy suggests the suppressed TED is related to the evolution of end of range defect formed around ion implantation sidewalls.

Thermal desorption behavior of helium in aged titanium tritide films

NASA Astrophysics Data System (ADS)

Cheng, G. J.; Shi, L. Q.; Zhou, X. S.; Liang, J. H.; Wang, W. D.; Long, X. G.; Yang, B. F.; Peng, S. M.

2015-11-01

The desorption behavior of helium in TiT(1.5∼1.8)-x3Hex film samples (x = 0.0022-0.22) was investigated by thermal desorption technique in vacuum condition in this paper. The thermal helium desorption spectrometry (THDS) of aging titanium tritide films prepared by electron beam evaporation revealed that, depending on the decayed 3He concentration in the samples, there are more than four states of helium existing in the films. The divided four zones in THDS based on helium states represent respectively: (1) the mobile single helium atoms with low activation energy in all aging samples resulted from the interstitial sites or dissociated from interstitial clusters, loops and dislocations, (2) helium bubbles inside the grain lattices, (3) helium bubbles in the grain boundaries and interconnected networks of dislocations in the helium concentration of 3Hegen/Ti > 0.0094, and (4) helium bubbles near or linked to the film surface by interconnected channel for later aging stage with 3Hegen/Ti > 0.18. The proportion of helium desorption in each zone was estimated, and dissociated energies of helium for different trapping states were given.

Gradual tilting of crystallographic orientation and configuration of dislocations in GaN selectively grown by vapour phase epitaxy methods

PubMed

Kuwan; Tsukamoto; Taki; Horibuchi; Oki; Kawaguchi; Shibata; Sawaki; Hiramatsu

2000-01-01

Cross-sectional transmission electron microscope (TEM) observation was performed for selectively grown gallium nitride (GaN) in order to examine the dependence of GaN microstructure on the growth conditions. The GaN films were grown by hydride vapour phase epitaxy (HVPE) or metalorganic vapour phase epitaxy (MOVPE) on GaN covered with a patterned mask. Thin foil specimens for TEM observation were prepared with focused ion beam (FIB) machining apparatus. It was demonstrated that the c-axis of GaN grown over the terrace of the mask tilts towards the centre of the terrace when the GaN is grown in a carrier gas of N2. The wider terrace results in a larger tilting angle if other growth conditions are identical. The tilting is attributed to 'horizontal dislocations' (HDs) generated during the overgrowth of GaN on the mask terrace. The HDs in HVPE-GaN have a semi-loop shape and are tangled with one another, while those in MOVPE-GaN are straight and lined up to form low-angle grain boundaries.

Helium bubbles aggravated defects production in self-irradiated copper

NASA Astrophysics Data System (ADS)

Wu, FengChao; Zhu, YinBo; Wu, Qiang; Li, XinZhu; Wang, Pei; Wu, HengAn

2017-12-01

Under the environment of high radiation, materials used in fission and fusion reactors will internally accumulate numerous lattice defects and bubbles. With extensive studies focused on bubble resolution under irradiation, the mutually effects between helium bubbles and displacement cascades in irradiated materials remain unaddressed. Therefore, the defects production and microstructure evolution under self-irradiation events in vicinity of helium bubbles are investigated by preforming large scale molecular dynamics simulations in single-crystal copper. When subjected to displacement cascades, distinguished bubble resolution categories dependent on bubble size are observed. With the existence of bubbles, radiation damage is aggravated with the increasing bubble size, represented as the promotion of point defects and dislocations. The atomic mechanisms of heterogeneous dislocation structures are attributed to different helium-vacancy cluster modes, transforming from the resolved gas trapped with vacancies to the biased absorption of vacancies by the over-pressured bubble. In both cases, helium impedes the recombination of point defects, leading to the accelerated formation of interstitial loops. The results and insight obtained here might contribute to understand the underlying mechanism of transmutant solute on the long-term evolution of irradiated materials.

Scaling laws and deformation mechanisms of nanoporous copper under adiabatic uniaxial strain compression

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yuan, Fuping, E-mail: fpyuan@lnm.imech.ac.cn; Wu, Xiaolei, E-mail: xlwu@imech.ac.cn

2014-12-15

A series of large-scale molecular dynamics simulations were conducted to investigate the scaling laws and the related atomistic deformation mechanisms of Cu monocrystal samples containing randomly placed nanovoids under adiabatic uniaxial strain compression. At onset of yielding, plastic deformation is accommodated by dislocations emitted from void surfaces as shear loops. The collapse of voids are observed by continuous emissions of dislocations from void surfaces and their interactions with further plastic deformation. The simulation results also suggest that the effect modulus, the yield stress and the energy aborption density of samples under uniaxial strain are linearly proportional to the relative densitymore » ρ. Moreover, the yield stress, the average flow stress and the energy aborption density of samples with the same relative density show a strong dependence on the void diameter d, expressed by exponential relations with decay coefficients much higher than -1/2. The corresponding atomistic mechanisms for scaling laws of the relative density and the void diameter were also presented. The present results should provide insights for understanding deformation mechanisms of nanoporous metals under extreme conditions.« less

Mechanisms for Ductile Rupture - FY16 ESC Progress Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boyce, Brad L.; Carroll, Jay D.; Noell, Phillip

2017-01-01

Ductile rupture in metals is generally a multi-step process of void nucleation, growth, and coalescence. Particle decohesion and particle fracture are generally invoked as the primary microstructural mechanisms for room-temperature void nucleation. However, because high-purity materials also fail by void nucleation and coalescence, other microstructural features must also act as sites for void nucleation. Early studies of void initiation in high-purity materials, which included post-mortem fracture surface characterization using scanning electron microscopy (SEM) and high-voltage electron microscopy (HVEM) and in-situ HVEM observations of fracture, established the presence of dislocation cell walls as void initiation sites in high-purity materials. Direct experimentalmore » evidence for this contention was obtained during in-situ HVEM tensile tests of Be single crystals. Voids between 0.2 and 1 μm long appeared suddenly along dislocation cell walls during tensile straining. However, subsequent attempts to replicate these results in other materials, particularly α -Fe single crystals, were unsuccessful because of the small size of the dislocation cells, and these remain the only published in-situ HVEM observations of void nucleation at dislocation cell walls in the absence of a growing macrocrack. Despite this challenge, other approaches to studying void nucleation in high-purity metals also indicate that dislocation cell walls are nucleation sites for voids.« less

Discrete dislocation plasticity analysis of loading rate-dependent static friction.

PubMed

Song, H; Deshpande, V S; Van der Giessen, E

2016-08-01

From a microscopic point of view, the frictional force associated with the relative sliding of rough surfaces originates from deformation of the material in contact, by adhesion in the contact interface or both. We know that plastic deformation at the size scale of micrometres is not only dependent on the size of the contact, but also on the rate of deformation. Moreover, depending on its physical origin, adhesion can also be size and rate dependent, albeit different from plasticity. We present a two-dimensional model that incorporates both discrete dislocation plasticity inside a face-centred cubic crystal and adhesion in the interface to understand the rate dependence of friction caused by micrometre-size asperities. The friction strength is the outcome of the competition between adhesion and discrete dislocation plasticity. As a function of contact size, the friction strength contains two plateaus: at small contact length [Formula: see text], the onset of sliding is fully controlled by adhesion while for large contact length [Formula: see text], the friction strength approaches the size-independent plastic shear yield strength. The transition regime at intermediate contact size is a result of partial de-cohesion and size-dependent dislocation plasticity, and is determined by dislocation properties, interfacial properties as well as by the loading rate.

Transcription-induced DNA supercoiling: New roles of intranucleosomal DNA loops in DNA repair and transcription.

PubMed

Gerasimova, N S; Pestov, N A; Kulaeva, O I; Clark, D J; Studitsky, V M

2016-05-26

RNA polymerase II (Pol II) transcription through chromatin is accompanied by formation of small intranucleosomal DNA loops. Pol II captured within a small loop drives accumulation of DNA supercoiling, facilitating further transcription. DNA breaks relieve supercoiling and induce Pol II arrest, allowing detection of DNA damage hidden in chromatin structure.

Water redistribution in experimentally deformed natural milky quartz single crystals—Implications for H2O-weakening processes

NASA Astrophysics Data System (ADS)

Stünitz, H.; Thust, A.; Heilbronner, R.; Behrens, H.; Kilian, R.; Tarantola, A.; Fitz Gerald, J. D.

2017-02-01

Natural quartz single crystals were experimentally deformed in two orientations: (1) ⊥ to one prism plane and (2) in O+ orientation at 900 and 1000°C, 1.0 and 1.5 GPa, and strain rates of 1 × 10-6 s-1. In addition, hydrostatic and annealing experiments were performed. The starting material was milky quartz, which consisted of dry quartz with a large number of fluid inclusions of variable size up to several 100 µm. During pressurization fluid inclusions decrepitated producing much smaller fluid inclusions. Deformation on the sample scale is anisotropic due to dislocation glide on selected slip systems and inhomogeneous due to an inhomogeneous distribution of fluid inclusions. Dislocation glide is accompanied by minor dynamic recovery. Strongly deformed regions show a pointed broad absorption band in the 3400 cm-1 region consisting of a superposition of bands of molecular H2O and three discrete absorption bands (at 3367, 3400, and 3434 cm-1). In addition, there is a discrete absorption band at 3585 cm-1, which only occurs in deformed regions and reduces or disappears after annealing, so that this band appears to be associated with dislocations. H2O weakening in inclusion-bearing natural quartz crystals is assigned to the H2O-assisted dislocation generation and multiplication. Processes in these crystals represent recycling of H2O between fluid inclusions, cracking and crack healing, incorporation of structurally bound H in dislocations, release of H2O from dislocations during recovery, and dislocation generation at very small fluid inclusions. The H2O weakening by this process is of disequilibrium nature because it depends on the amount of H2O available.

[Intra-prosthetic dislocation of the Bousquet dual mobility socket].

PubMed

Lecuire, F; Benareau, I; Rubini, J; Basso, M

2004-05-01

The Bousquet system is a dual mobility head-polyethylene polyethylene-metal cup socket. The polyethylene insert retaining the femoral head moves in the noncemented metal cup, increasing both mobility and stability. Between 1989 and 1997, seven cases of intra-prosthetic dislocation (six patients) were observed. The femoral head escaped from the polyethylene insert due to wear. On the average, this complication occurred ten Years after implantation. Risk of dislocation was high in six of the seven hips. All patients had a large sized stem screwed into the femoral neck. There was a characteristic radiological aspect with loss of the concentric head metal cup configuration. The head was applied against the upper wall of the metal cup. Surgical replacement was undertaken early in six patients by simply changing the insert without modifying the other stable components. Outcome remained good at three to eight Years. One patient underwent late surgery. The insert and the cup were replaced with a classical implant. Functional outcome was good but recurrent dislocation occurred. At mid-term, intra-prosthetic dislocation of dual mobility sockets appears to be exceptional. Dislocation results from polyethylene wear leading to failure of the insert to retain the prosthetic head. Wear is favored by direct phenomena (direct contact between neck and insert which can occur early if there is a small difference in the head and neck diameters) or indirect phenomena (factors limiting polyethylene metal-cup mobility). Surgical treatment is necessary. If undertaken early, replacement with a modular head and insert can be sufficient if the prosthesis has not loosened but the metal cup may have to be replaced in the event of metal-metal contact between the head and the cup. Prosthesis loosening, wear of the metal cup, or an identified cause of dislocation imply replacing the failing implants. Implantation of the dual mobility system is particularly interesting for patients with a high risk of dislocation or a chronically unstable hip prosthesis. Careful technique is required to reduce or retard the risk of intra-prosthetic dislocation. Intra-prosthetic dislocation of a dual mobility socket is an exceptional complication at mid-term. Surgical treatment is required but may be limited to simple insert replacement. Systematic use of this type of implant in young subjects must be carefully examined, but for us, the risk of dislocation does not outweigh the advantages of this original concept of dual mobility. This type of socket remains an useful preventive technique for high-risk hips or for curative treatment of recurrent dislocation.

Single versus successive pop-in modes in nanoindentation tests of single crystals

DOE PAGES

Xia, Yuzhi; Gao, Yanfei; Pharr, George M.; ...

2016-05-24

From recent nanoindentation experiments, two types of pop-in modes have been identified: a single pop-in with a large displacement excursion, or a number of pop-ins with comparable and small displacement excursions. Theoretical analyses are developed here to study the roles played by indenter tip radius, pre-existing defect density, heterogeneous nucleation source type, and lattice resistance on the pop-in modes. The evolution of dislocation structures in earlier pop-ins provides input to modeling a stochastic, heterogeneous mechanism that may be responsible for the subsequent pop-ins. It is found that when the first pop-in occurs near theoretical shear stress, the pop-in mode ismore » determined by the lattice resistance and tip radius. When the first pop-in occurs at low shear stress, whether the successive pop-in mode occurs depends on how the heterogeneous dislocation nucleation source density increases as compared to the increase of the total dislocation density. Lastly, the above transitions are found to correlate well with the ratio of indenter tip radius to the mean spacing of dislocation nucleation sources.« less

Microstructure and Property Evolution in Advanced Cladding and Duct Materials Under Long-Term and Elevated Temperature Irradiation: Modeling and Experimental Investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wirth, Brian; Morgan, Dane; Kaoumi, Djamel

2013-12-01

The in-service degradation of reactor core materials is related to underlying changes in the irradiated microstructure. During reactor operation, structural components and cladding experience displacement of atoms by collisions with neutrons at temperatures at which the radiation-induced defects are mobile, leading to microstructure evolution under irradiation that can degrade material properties. At the doses and temperatures relevant to fast reactor operation, the microstructure evolves by dislocation loop formation and growth, microchemistry changes due to radiation-induced segregation, radiation-induced precipitation, destabilization of the existing precipitate structure, and in some cases, void formation and growth. These processes do not occur independently; rather, theirmore » evolution is highly interlinked. Radiationinduced segregation of Cr and existing chromium carbide coverage in irradiated alloy T91 track each other closely. The radiation-induced precipitation of Ni-Si precipitates and RIS of Ni and Si in alloys T91 and HCM12A are likely related. Neither the evolution of these processes nor their coupling is understood under the conditions required for materials performance in fast reactors (temperature range 300-600°C and doses beyond 200 dpa). Further, predictive modeling is not yet possible as models for microstructure evolution must be developed along with experiments to characterize these key processes and provide tools for extrapolation. To extend the range of operation of nuclear fuel cladding and structural materials in advanced nuclear energy and transmutation systems to that required for the fast reactor, the irradiation-induced evolution of the microstructure, microchemistry, and the associated mechanical properties at relevant temperatures and doses must be understood. Predictive modeling relies on an understanding of the physical processes and also on the development of microstructure and microchemical models to describe their evolution under irradiation. This project will focus on modeling microstructural and microchemical evolution of irradiated alloys by performing detailed modeling of such microstructure evolution processes coupled with well-designed in situ experiments that can provide validation and benchmarking to the computer codes. The broad scientific and technical objectives of this proposal are to evaluate the microstructure and microchemical evolution in advanced ferritic/martensitic and oxide dispersion strengthened (ODS) alloys for cladding and duct reactor materials under long-term and elevated temperature irradiation, leading to improved ability to model structural materials performance and lifetime. Specifically, we propose four research thrusts, namely Thrust 1: Identify the formation mechanism and evolution for dislocation loops with Burgers vector of a<100> and determine whether the defect microstructure (predominately dislocation loop/dislocation density) saturates at high dose. Thrust 2: Identify whether a threshold irradiation temperature or dose exists for the nucleation of growing voids that mark the beginning of irradiation-induced swelling, and begin to probe the limits of thermal stability of the tempered Martensitic structure under irradiation. Thrust 3: Evaluate the stability of nanometer sized Y- Ti-O based oxide dispersion strengthened (ODS) particles at high fluence/temperature. Thrust 4: Evaluate the extent to which precipitates form and/or dissolve as a function of irradiation temperature and dose, and how these changes are driven by radiation induced segregation and microchemical evolutions and determined by the initial microstructure.« less

Nanocrystalline copper films are never flat.

PubMed

Zhang, Xiaopu; Han, Jian; Plombon, John J; Sutton, Adrian P; Srolovitz, David J; Boland, John J

2017-07-28

We used scanning tunneling microscopy to study low-angle grain boundaries at the surface of nearly planar copper nanocrystalline (111) films. The presence of grain boundaries and their emergence at the film surface create valleys composed of dissociated edge dislocations and ridges where partial dislocations have recombined. Geometric analysis and simulations indicated that valleys and ridges were created by an out-of-plane grain rotation driven by reduction of grain boundary energy. These results suggest that in general, it is impossible to form flat two-dimensional nanocrystalline films of copper and other metals exhibiting small stacking fault energies and/or large elastic anisotropy, which induce a large anisotropy in the dislocation-line energy. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

A COLD FLARE WITH DELAYED HEATING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fleishman, Gregory D.; Pal'shin, Valentin D.; Lysenko, Alexandra L.

2016-05-10

Recently, a number of peculiar flares have been reported that demonstrate significant nonthermal particle signatures with low, if any, thermal emission, which implies a close association of the observed emission with the primary energy release/electron acceleration region. This paper presents a flare that appears “cold” at the impulsive phase, while displaying delayed heating later on. Using hard X-ray data from Konus- Wind , microwave observations by SSRT, RSTN, NoRH, and NoRP, context observations, and three-dimensional modeling, we study the energy release, particle acceleration, and transport, and the relationships between the nonthermal and thermal signatures. The flaring process is found tomore » involve the interaction between a small loop and a big loop with the accelerated particles divided roughly equally between them. Precipitation of the electrons from the small loop produced only a weak thermal response because the loop volume was small, while the electrons trapped in the big loop lost most of their energy in the coronal part of the loop, which resulted in coronal plasma heating but no or only weak chromospheric evaporation, and thus unusually weak soft X-ray emission. The energy losses of the fast electrons in the big tenuous loop were slow, which resulted in the observed delay of the plasma heating. We determined that the impulsively accelerated electron population had a beamed angular distribution in the direction of the electric force along the magnetic field of the small loop. The accelerated particle transport in the big loop was primarily mediated by turbulent waves, which is similar to other reported cold flares.« less

Transcription-induced DNA supercoiling: New roles of intranucleosomal DNA loops in DNA repair and transcription

PubMed Central

Gerasimova, N. S.; Pestov, N. A.; Kulaeva, O. I.; Clark, D. J.; Studitsky, V. M.

2016-01-01

ABSTRACT RNA polymerase II (Pol II) transcription through chromatin is accompanied by formation of small intranucleosomal DNA loops. Pol II captured within a small loop drives accumulation of DNA supercoiling, facilitating further transcription. DNA breaks relieve supercoiling and induce Pol II arrest, allowing detection of DNA damage hidden in chromatin structure. PMID:27115204

MINI-FILAMENT ERUPTION AS THE INITIATION OF A JET ALONG CORONAL LOOPS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Junchao; Jiang, Yunchun; Yang, Jiayan

Minifilament eruptions (MFEs) and coronal jets are different types of solar small-scale explosive events. We report an MFE observed at the New Vacuum Solar Telescope (NVST). As seen in the NVST H α images, during the rising phase, the minifilament erupts outward orthogonally to its length, accompanied with a flare-like brightening at the bottom. Afterward, dark materials are found to possibly extend along the axis of the expanded filament body. The MFE is analogous to large filament eruptions. However, a simultaneous observation of the Solar Dynamics Observatory shows that a jet is initiated and flows out along nearby coronal loopsmore » during the rising phase of the MFE. Meanwhile, small hot loops, which connect the original eruptive site of the minifilament to the footpoints of the coronal loops, are formed successively. A differential emission measure analysis demonstrates that, on the top of the new small loops, a hot cusp structure exists. We conjecture that the magnetic fields of the MFE interact with magnetic fields of the coronal loops. This interaction is interpreted as magnetic reconnection that produces the jet and the small hot loops.« less

SMALL ANGLE SCATTERING OF X-RAYS BY PLASTICALLY DEFORMED SINGLE CRYSTALS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robinson, W.H.; Smoluchowski, R.

1959-05-01

The small-angle scattering of x rays from single crystals of magnesium plastically deformed by simple shear was measured in the angular range of 4' to 5 deg . The crystals were subjected to both unidirectional and cyclic shear stresses applied along the STAl 1 2-bar 0! direction. Thin slices of the deformed single crystals were prepared using strainfree cutting and polishing techniques. The thin slices had orientations such that the slip direction was either parallel or perpendicular to the incident x-ray beam in order to observe any anisotropy in the scattering that might be due to dislocations. It was foundmore » that those samples which contained deformation twins within the irradiated volume produced rather large scattered intensity. This scattered intensity is interpreted as being due to double Bragg scattering. The scattered intensity from other specimens was attributed to surface scattering. No evidence for small angle scattering by dislocations was found. (auth)« less

Structures and optical properties of \\text{H}_{2}^{+} -implanted GaN epi-layers

NASA Astrophysics Data System (ADS)

Li, B. S.; Wang, Z. G.

2015-06-01

The implantation damage build-up and optical properties of GaN epitaxial films under \\text{H}2+ ion implantation have been investigated by a combination of Rutherford backscattering in channeling geometry, Raman spectroscopy, UV-visible spectroscopy and transmission electron microscopy. GaN epitaxial films were implanted with 134 keV \\text{H}2+ ions to doses ranging from 3.75   ×   1016 to 1.75   ×   1017 \\text{H}2+  cm-2 at room temperature or the same dose of 1.5   ×   1017 \\text{H}2+  cm-2 at room temperature, 573 and 723 K. The dependence of lattice disorder induced by \\text{H}2+ -implantation on the ion dose can be divided into a three-step damage process. A strong influence of the H concentration on the defect accumulation is discussed. The decrease in relative Ga disorder induced by \\text{H}2+ -implantation is linear with increasing implantation temperature. The absorption coefficient of GaN epitaxial films increases with increasing ion dose, leading to the decrease in Raman scattering spectra of Ga-N vibration. With increasing implantation doses up to 5   ×   1016 \\text{H}2+  cm-2, nanoscale hydrogen bubbles are observed in the H deposition peak region. Interstitial-type dislocation loops are observed in the damaged layer located near the damage peak region, and the geometry of the dislocation loops produced by H implantation is analyzed. The surface layer is almost free of lattice disorder induced by \\text{H}2+ -implantation.

Simulation of the zero-temperature behavior of a three-dimensional elastic medium

NASA Astrophysics Data System (ADS)

McNamara, David; Middleton, A. Alan; Zeng, Chen

1999-10-01

We have performed numerical simulation of a three-dimensional elastic medium, with scalar displacements, subject to quenched disorder. In the absence of topological defects this system is equivalent to a (3+1)-dimensional interface subject to a periodic pinning potential. We have applied an efficient combinatorial optimization algorithm to generate exact ground states for this interface representation. Our results indicate that this Bragg glass is characterized by power law divergences in the structure factor S(k)~Ak-3. We have found numerically consistent values of the coefficient A for two lattice discretizations of the medium, supporting universality for A in the isotropic systems considered here. We also examine the response of the ground state to the change in boundary conditions that corresponds to introducing a single dislocation loop encircling the system. The rearrangement of the ground state caused by this change is equivalent to the domain wall of elastic deformations which span the dislocation loop. Our results indicate that these domain walls are highly convoluted, with a fractal dimension df=2.60(5). We also discuss the implications of the domain wall energetics for the stability of the Bragg glass phase. Elastic excitations similar to these domain walls arise when the pinning potential is slightly perturbed. As in other disordered systems, perturbations of relative strength δ introduce a new length scale L*~δ-1/ζ beyond which the perturbed ground state becomes uncorrelated with the reference (unperturbed) ground state. We have performed a scaling analysis of the response of the ground state to the perturbations and obtain ζ=0.385(40). This value is consistent with the scaling relation ζ=df/2-θ, where θ characterizes the scaling of the energy fluctuations of low energy excitations.

Lattice disorder produced in GaN by He-ion implantation

NASA Astrophysics Data System (ADS)

Han, Yi; Peng, Jinxin; Li, Bingsheng; Wang, Zhiguang; Wei, Kongfang; Shen, Tielong; Sun, Jianrong; Zhang, Limin; Yao, Cunfeng; Gao, Ning; Gao, Xing; Pang, Lilong; Zhu, Yabin; Chang, Hailong; Cui, Minghuan; Luo, Peng; Sheng, Yanbin; Zhang, Hongpeng; Zhang, Li; Fang, Xuesong; Zhao, Sixiang; Jin, Jin; Huang, Yuxuan; Liu, Chao; Tai, Pengfei; Wang, Dong; He, Wenhao

2017-09-01

The lattice disorders induced by He-ion implantation in GaN epitaxial films to fluences of 2 × 1016, 5 × 1016 and 1 × 1017 cm-2 at room temperature (RT) have been investigated by a combination of Raman spectroscopy, high-resolution X-ray diffraction (HRXRD), nano-indentation, and transmission electron microscopy (TEM). The experimental results present that Raman intensity decreases with increasing fluence. Raman frequency "red shift" occurs after He-ion implantation. Strain increases with increasing fluence. The hardness of the highly damaged layer increases monotonically with increasing fluence. Microstructural results demonstrate that the width of the damage band and the number density of observed dislocation loops increases with increasing fluence. High-resolution TEM images exhibit that He-ion implantation lead to the formation of planar defects and most of the lattice defects are of interstitial-type basal loops. The relationships of Raman intensity, lattice strain, swelling and hardness with He-implantation-induced lattice disorders are discussed.

Influence of misfit stresses on dislocation glide in single crystal superalloys: A three-dimensional discrete dislocation dynamics study

NASA Astrophysics Data System (ADS)

Gao, Siwen; Fivel, Marc; Ma, Anxin; Hartmaier, Alexander

2015-03-01

In the characteristic γ / γ ‧ microstructure of single crystal superalloys, misfit stresses occur due to a significant lattice mismatch of those two phases. The magnitude of this lattice mismatch depends on the chemical composition of both phases as well as on temperature. Furthermore, the lattice mismatch of γ and γ ‧ phases can be either positive or negative in sign. The internal stresses caused by such lattice mismatch play a decisive role for the micromechanical processes that lead to the observed macroscopic athermal deformation behavior of these high-temperature alloys. Three-dimensional discrete dislocation dynamics (DDD) simulations are applied to investigate dislocation glide in γ matrix channels and shearing of γ ‧ precipitates by superdislocations under externally applied uniaxial stresses, by fully taking into account internal misfit stresses. Misfit stress fields are calculated by the fast Fourier transformation (FFT) method and hybridized with DDD simulations. For external loading along the crystallographic [001] direction of the single crystal, it was found that the different internal stress states for negative and positive lattice mismatch result in non-uniform dislocation movement and different dislocation patterns in horizontal and vertical γ matrix channels. Furthermore, positive lattice mismatch produces a lower deformation rate than negative lattice mismatch under the same tensile loading, but for an increasing magnitude of lattice mismatch, the deformation resistance always diminishes. Hence, the best deformation performance is expected to result from alloys with either small positive, or even better, vanishing lattice mismatch between γ and γ ‧ phase.

Radiation response of ODS ferritic steels with different oxide particles under ion-irradiation at 550 °C

NASA Astrophysics Data System (ADS)

Song, Peng; Morrall, Daniel; Zhang, Zhexian; Yabuuchi, Kiyohiro; Kimura, Akihiko

2018-04-01

In order to investigate the effects of oxide particles on radiation response such as hardness change and microstructural evolution, three types of oxide dispersion strengthened (ODS) ferritic steels (named Y-Ti-ODS, Y-Al-ODS and Y-Al-Zr-ODS), mostly strengthened by Y-Ti-O, Y-Al-O and Y-Zr-O dispersoids, respectively, were simultaneously irradiated with iron and helium ions at 550 °C up to a damage of 30 dpa and a corresponding helium (He) concentration of ∼3500 appm to a depth of 1000-1300 nm. A single iron ion beam irradiation was also performed for reference. Transmission electron microscopy revealed that after the dual ion irradiation helium bubbles of 2.8, 6.6 and 4.5 nm in mean diameter with the corresponding number densities of 1.1 × 1023, 2.7 × 1022 and 3.6 × 1022 m-3 were observed in Y-Ti-ODS, Y-Al-ODS and Y-Al-Zr-ODS, respectively, while no such bubbles were observed after single ion irradiation. About 80% of intragranular He bubbles were adjacent to oxide particles in the ODS ferritic steels. Although the high number density He bubbles were observed in the ODS steels, the void swelling in Y-Ti-ODS, Y-Al-ODS and Y-Al-Zr-ODS was still small and estimated to be 0.13%, 0.53% and 0.20%, respectively. The excellent swelling resistance is dominantly attributed to the high sink strength of oxide particles that depends on the morphology of particle dispersion rather than the crystal structure of the particles. In contrast, no dislocation loops were produced in any of the irradiated steels. Nanoindentation measurements showed that no irradiation hardening but softening was found in the ODS ferritic steels, which was probably due to irradiation induced dislocation recovery. The helium bubbles in high number density never contributed to the irradiation hardening of the ODS steels at these irradiation conditions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yadav, Satyesh Kumar; Shao, S.; Chen, Youxing

Here, using a newly developed embedded-atom-method potential for Mg–Nb, the semi-coherent Mg/Nb interface with the Kurdjumov–Sachs orientation relationship is studied. Atomistic simulations have been carried out to understand the shear strength of the interface, as well as the interaction between lattice glide dislocations and the interface. The interface shear mechanisms are dependent on the shear loading directions, through either interface sliding between Mg and Nb atomic layers or nucleation and gliding of Shockley partial dislocations in between the first two atomic planes in Mg at the interface. The shear strength for the Mg/Nb interface is found to be generally high,more » in the range of 0.9–1.3 GPa depending on the shear direction. As a consequence, the extents of dislocation core spread into the interface are considerably small, especially when compared to the case of other “weak” interfaces such as the Cu/Nb interface.« less

First principles determination of dislocation properties.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hamilton, John C.

2003-12-01

This report details the work accomplished on first principles determination of dislocation properties. It contains an introduction and three chapters detailing three major accomplishments. First, we have used first principle calculations to determine the shear strength of an aluminum twin boundary. We find it to be remarkably small ({approx}17 mJ/m{sup 2}). This unexpected result is explained and will likely pertain for many other grain boundaries. Second, we have proven that the conventional explanation for finite grain boundary facets is wrong for a particular aluminum grain boundary. Instead of finite facets being stabilized by grain boundary stress, we find them tomore » originate from kinetic effects. Finally we report on a new application of the Frenkel-Kontorova model to understand reconstructions of (100) type surfaces. In addition to the commonly accepted formation of rectangular dislocation arrays, we find numerous other possible solutions to the model including hexagonal reconstructions and a clock-rotated structure.« less

High-power AlGaInN lasers for Blu-ray disc system

NASA Astrophysics Data System (ADS)

Takeya, Motonubu; Ikeda, Shinroh; Sasaki, Tomomi; Fujimoto, Tsuyoshi; Ohfuji, Yoshio; Mizuno, Takashi; Oikawa, Kenji; Yabuki, Yoshifumi; Uchida, Shiro; Ikeda, Masao

2003-07-01

This paper describes an improved laser structure for AlGaInN based blue-violet lasers (BV-LDs). The design realizes a small beam divergence angle perpendicular to the junction plane and high characteristic temperature wihtout significant increase in threshold current density (Jth) by optimizing the position of the Mg-doped layer and introducing an undoped AlGaN layer between the active layer and the Mg-doped electron-blocking layer. The mean time to failure (MTTF) of devices based on this design was found to be closely related to the dislocation density of ELO-GaN basal layer. Under 50 mW CW operation at 70°C, a MTTF of over 5000 h was realized whenthe dark spot density (indicative of dislocation density) is less than ~5×106 cm-2. Power consumption under 50mW CW operation at 70°C was approximately 0.33 W, independent of the dislocation density.

A tale of two mechanisms. Strain-softening versus strain-hardening in single crystals under small stressed volumes

DOE PAGES

Bei, Hongbin; Xia, Yuzhi; Barabash, Rozaliya; ...

2015-08-10

Pre-straining defect-free single crystals will introduce heterogeneous dislocation nucleation sources that reduce the measured strength from the theoretical value, while pre-straining bulk samples will lead to strain hardening. Their competition is investigated by nanoindentation pop-in tests on variously pre-strained Mo single crystals with several indenter radii (~micrometer). Pre-straining primarily shifts deformation mechanism from homogeneous dislocation nucleation to a stochastic behavior, while strain hardening plays a secondary role, as summarized in a master plot of pop-in strength versus normalized indenter radius.

The multiple roles of small-angle tilt grain boundaries in annihilating radiation damage in SiC

DOE PAGES

Jiang, Hao; Wang, Xing; Szlufarska, Izabela

2017-02-09

Lattice defects generated by radiation damage can diffuse to grain boundaries (GBs) and be annihilated at GBs. However, the precise role of GBs in annihilating the segregated defects remains unclear. Here, we employed multi-scale models to determine how interstitials are annihilated at small-angle tilt GBs (STGBs) in SiC. First of all, we found the pipe diffusion of interstitials in STGBs is slower than bulk diffusion. This is because the increased interatomic distance at dislocation cores raises the migration barrier of interstitial dumbbells. Furthermore, we found both the annihilation of interstitials at jogs and jog nucleation from clusters are diffusion-controlled andmore » can occur under off-stoichiometric interstitial fluxes. Finally, a dislocation line model is developed to predict the role of STGBs in annihilating radiation damage. This model includes defect flux to GBs, pipe diffusion in STGBs, and the interaction of defects with jogs. The model predicts the role of STGBs in annihilating defects depends on the rate of defects segregation to and diffusion along STGBs. STGBs mainly serve as diffusion channel for defects to reach other sinks when defect diffusivity is high at boundaries. As a result, when defect diffusivity is low, most of the defects segregated to STGBs are annihilated by dislocation climb.« less

The multiple roles of small-angle tilt grain boundaries in annihilating radiation damage in SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Hao; Wang, Xing; Szlufarska, Izabela

Lattice defects generated by radiation damage can diffuse to grain boundaries (GBs) and be annihilated at GBs. However, the precise role of GBs in annihilating the segregated defects remains unclear. Here, we employed multi-scale models to determine how interstitials are annihilated at small-angle tilt GBs (STGBs) in SiC. First of all, we found the pipe diffusion of interstitials in STGBs is slower than bulk diffusion. This is because the increased interatomic distance at dislocation cores raises the migration barrier of interstitial dumbbells. Furthermore, we found both the annihilation of interstitials at jogs and jog nucleation from clusters are diffusion-controlled andmore » can occur under off-stoichiometric interstitial fluxes. Finally, a dislocation line model is developed to predict the role of STGBs in annihilating radiation damage. This model includes defect flux to GBs, pipe diffusion in STGBs, and the interaction of defects with jogs. The model predicts the role of STGBs in annihilating defects depends on the rate of defects segregation to and diffusion along STGBs. STGBs mainly serve as diffusion channel for defects to reach other sinks when defect diffusivity is high at boundaries. As a result, when defect diffusivity is low, most of the defects segregated to STGBs are annihilated by dislocation climb.« less

TED of boron in the presence of EOR defects: the use of the theory of Ostwald ripening to calculate Si-interstitial supersaturation in the vicinity of extrinsic defects

NASA Astrophysics Data System (ADS)

Bonafos, C.; Alquier, D.; Martinez, A.; Mathiot, D.; Claverie, A.

1996-05-01

When end-of-range defects are located close to or within doping profiles they render diffusion "anomalous" by both enhancing the dopant diffusivity and trapping it, both phenomena decreasing with time. Upon annealing, these defects grow in size and their density is reduced through the emission and capture of Si-interstitial atoms by a coarsening process called Ostwald ripening. In this paper, we report on how, by coupling the Ostwald ripening theory with TEM observations of the time evolution of the dislocation loops upon annealing, quantitative information allowing the enhanced diffusivity to be understood can be extracted. Indeed, during the coarsening process, a supersaturation, {C}/{C e}, of Si self-interstitial atoms is maintained between the loops and decreases with time. The enhanced diffusivity is assumed to be linked to the evolution of this interstitial supersaturation during annealing through the interstitial component of boron diffusion. We show that C drastically decreases during the first second of the anneal to asymptotically reach a value just above the equilibrium concentration Ce. This rapid decay is precisely at the origin of the transient enhanced diffusivity of dopants in the vicinity of the loops.

BMP signaling controls buckling forces to modulate looping morphogenesis of the gut.

PubMed

Nerurkar, Nandan L; Mahadevan, L; Tabin, Clifford J

2017-02-28

Looping of the initially straight embryonic gut tube is an essential aspect of intestinal morphogenesis, permitting proper placement of the lengthy small intestine within the confines of the body cavity. The formation of intestinal loops is highly stereotyped within a given species and results from differential-growth-driven mechanical buckling of the gut tube as it elongates against the constraint of a thin, elastic membranous tissue, the dorsal mesentery. Although the physics of this process has been studied, the underlying biology has not. Here, we show that BMP signaling plays a critical role in looping morphogenesis of the avian small intestine. We first exploited differences between chicken and zebra finch gut morphology to identify the BMP pathway as a promising candidate to regulate differential growth in the gut. Next, focusing on the developing chick small intestine, we determined that Bmp2 expressed in the dorsal mesentery establishes differential elongation rates between the gut tube and mesentery, thereby regulating the compressive forces that buckle the gut tube into loops. Consequently, the number and tightness of loops in the chick small intestine can be increased or decreased directly by modulation of BMP activity in the small intestine. In addition to providing insight into the molecular mechanisms underlying intestinal development, our findings provide an example of how biochemical signals act on tissue-level mechanics to drive organogenesis, and suggest a possible mechanism by which they can be modulated to achieve distinct morphologies through evolution.

BMP signaling controls buckling forces to modulate looping morphogenesis of the gut

PubMed Central

Nerurkar, Nandan L.; Mahadevan, L.; Tabin, Clifford J.

2017-01-01

Looping of the initially straight embryonic gut tube is an essential aspect of intestinal morphogenesis, permitting proper placement of the lengthy small intestine within the confines of the body cavity. The formation of intestinal loops is highly stereotyped within a given species and results from differential-growth–driven mechanical buckling of the gut tube as it elongates against the constraint of a thin, elastic membranous tissue, the dorsal mesentery. Although the physics of this process has been studied, the underlying biology has not. Here, we show that BMP signaling plays a critical role in looping morphogenesis of the avian small intestine. We first exploited differences between chicken and zebra finch gut morphology to identify the BMP pathway as a promising candidate to regulate differential growth in the gut. Next, focusing on the developing chick small intestine, we determined that Bmp2 expressed in the dorsal mesentery establishes differential elongation rates between the gut tube and mesentery, thereby regulating the compressive forces that buckle the gut tube into loops. Consequently, the number and tightness of loops in the chick small intestine can be increased or decreased directly by modulation of BMP activity in the small intestine. In addition to providing insight into the molecular mechanisms underlying intestinal development, our findings provide an example of how biochemical signals act on tissue-level mechanics to drive organogenesis, and suggest a possible mechanism by which they can be modulated to achieve distinct morphologies through evolution. PMID:28193855

Role Of Impurities On Deformation Of HCP Crystal: A Multi-Scale Approach

NASA Astrophysics Data System (ADS)

Bhatia, Mehul Anoopkumar

Commercially pure (CP) and extra low interstitial (ELI) grade Ti-alloys present excellent corrosion resistance, lightweight, and formability making them attractive materials for expanded use in transportation and medical applications. However, the strength and toughness of CP titanium are affected by relatively small variations in their impurity/solute content (IC), e.g., O, Al, and V. This increase in strength is due to the fact that the solute either increases the critical stress required for the prismatic slip systems ({10- 10}) or activates another slip system ((0001), {10-11}). In particular, solute additions such as O can effectively strengthen the alloy but with an attendant loss in ductility by changing the behavior from wavy (cross slip) to planar nature. In order to understand the underlying behavior of strengthening by solutes, it is important to understand the atomic scale mechanism. This dissertation aims to address this knowledge gap through a synergistic combination of density functional theory (DFT) and molecular dynamics. Further, due to the long-range strain fields of the dislocations and the periodicity of the DFT simulation cells, it is difficult to apply ab initio simulations to study the dislocation core structure. To alleviate this issue we developed a multiscale quantum mechanics/molecular mechanics approach (QM/MM) to study the dislocation core. We use the developed QM/MM method to study the pipe diffusion along a prismatic edge dislocation core. Complementary to the atomistic simulations, the Semi-discrete Variational Peierls-Nabarro model (SVPN) was also used to analyze the dislocation core structure and mobility. The chemical interaction between the solute/impurity and the dislocation core is captured by the so-called generalized stacking fault energy (GSFE) surface which was determined from DFT-VASP calculations. By taking the chemical interaction into consideration the SVPN model can predict the dislocation core structure and mobility in the presence and absence of the solute/impurity and thus reveal the effect of impurity/solute on the softening/hardening behavior in alpha-Ti. Finally, to study the interaction of the dislocation core with other planar defects such as grain boundaries (GB), we develop an automated method to theoretically generate GBs in HCP type materials.

Microstructure of calcite deformed by high-pressure torsion: An X-ray line profile study

NASA Astrophysics Data System (ADS)

Schuster, Roman; Schafler, Erhard; Schell, Norbert; Kunz, Martin; Abart, Rainer

2017-11-01

Calcite aggregates were deformed to high strain using high-pressure torsion and applying confining pressures of 1-6 GPa and temperatures between room temperature and 450 °C. The run products were characterized by X-ray diffraction, and key microstructural parameters were extracted employing X-ray line profile analysis. The dominant slip system was determined as r { 10 1 bar 4 } ⟨ 2 bar 021 ⟩ with edge dislocation character. The resulting dislocation density and the size of the coherently scattering domains (CSD) exhibit a systematic dependence on the P-T conditions of deformation. While high pressure generally impedes recovery through reducing point defect mobility, the picture is complicated by pressure-induced phase transformations in the CaCO3 system. Transition from the calcite stability field to those of the high-pressure polymorphs CaCO3-II, CaCO3-III and CaCO3-IIIb leads to a change of the microstructural evolution with deformation. At 450 °C and pressures within the calcite stability field, dislocation densities and CSD sizes saturate at shear strains exceeding 10 in agreement with earlier studies at lower pressures. In the stability field of CaCO3-II, the dislocation density exhibits a more complex behavior. Furthermore, at a given strain and strain rate, the dislocation density increases and the CSD size decreases with increasing pressure within the stability fields of either calcite or of the high-pressure polymorphs. There is, however, a jump from high dislocation densities and small CSDs in the upper pressure region of the calcite stability field to lower dislocation densities and larger CSDs in the low-pressure region of the CaCO3-II stability field. This jump is more pronounced at higher temperatures and less so at room temperature. The pressure influence on the deformation-induced evolution of dislocation densities implies that pressure variations may change the rheology of carbonate rocks. In particular, a weakening is expected to occur at the transition from the calcite to the CaCO3-II stability field, if aragonite does not form.

NaK Plugging Meter Design for the Feasibility Test Loops

NASA Technical Reports Server (NTRS)

Pearson, J. Boise; Godfroy, Thomas J.; Reid, Robert S.; Polzin, Kurt A.

2008-01-01

The design and predicted performance of a plugging meter for use in the measurement of NaK impurity levels are presented. The plugging meter is incorporated into a Feasibility Test Loop (FTL), which is a small pumped-NaK loop designed to enable the rapid, small-scale evaluation of techniques such as in situ purification methods and to permit the measurement of bulk material transport effects (not mechanisms) under flow conditions that are representative of a fission surface power reactor. The FTL operates at temperatures similar to those found in a reactor, with a maximum hot side temperature of 900 K and a corresponding cold side temperature of 860 K. In the plugging meter a low flow rate bypass loop is cooled until various impurities (primarily oxides) precipitate out of solution. The temperatures at which these impurities precipitate are indicative of the level of impurities in the NaK. The precipitates incrementally plug a small orifice in the bypass loop, which is detected by monitoring changes in the liquid metal flow rate.

Dose-Volume Histogram Predictors of Chronic Gastrointestinal Complications After Radical Hysterectomy and Postoperative Concurrent Nedaplatin-Based Chemoradiation Therapy for Early-Stage Cervical Cancer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Isohashi, Fumiaki, E-mail: isohashi@radonc.med.osaka-u.ac.jp; Yoshioka, Yasuo; Mabuchi, Seiji

2013-03-01

Purpose: The purpose of this study was to evaluate dose-volume histogram (DVH) predictors for the development of chronic gastrointestinal (GI) complications in cervical cancer patients who underwent radical hysterectomy and postoperative concurrent nedaplatin-based chemoradiation therapy. Methods and Materials: This study analyzed 97 patients who underwent postoperative concurrent chemoradiation therapy. The organs at risk that were contoured were the small bowel loops, large bowel loop, and peritoneal cavity. DVH parameters subjected to analysis included the volumes of these organs receiving more than 15, 30, 40, and 45 Gy (V15-V45) and their mean dose. Associations between DVH parameters or clinical factors andmore » the incidence of grade 2 or higher chronic GI complications were evaluated. Results: Of the clinical factors, smoking and low body mass index (BMI) (<22) were significantly associated with grade 2 or higher chronic GI complications. Also, patients with chronic GI complications had significantly greater V15-V45 volumes and higher mean dose of the small bowel loops compared with those without GI complications. In contrast, no parameters for the large bowel loop or peritoneal cavity were significantly associated with GI complications. Results of the receiver operating characteristics (ROC) curve analysis led to the conclusion that V15-V45 of the small bowel loops has high accuracy for prediction of GI complications. Among these parameters, V40 gave the highest area under the ROC curve. Finally, multivariate analysis was performed with V40 of the small bowel loops and 2 other clinical parameters that were judged to be potential risk factors for chronic GI complications: BMI and smoking. Of these 3 parameters, V40 of the small bowel loops and smoking emerged as independent predictors of chronic GI complications. Conclusions: DVH parameters of the small bowel loops may serve as predictors of grade 2 or higher chronic GI complications after postoperative concurrent nedaplatin-based chemoradiation therapy for early-stage cervical cancer.« less

Concurrent dorsal dislocations and fracture-dislocations of the index, long, ring, and small (second to fifth) carpometacarpal joints.

PubMed

Prokuski, L J; Eglseder, W A

2001-11-01

To review the outcome of patients with concurrent dorsal dislocations and fracture-dislocations of the second, third, fourth, and fifth carpometacarpal (CMC) joints treated with open reduction and internal fixation (ORIF). Retrospective review. Level 1 trauma center. Between 1991 and 1997, twelve multiply injured patients with the described CMC injury complex (one open injury) were treated with ORIF (eleven patients) or percutaneous wire fixation (one patient) by the same surgeon. Treatment consisted of ORIF with Kirschner wires followed by splints and immediate metacarpophalangeal and interphalangeal joint range of motion exercises. Grip strength, wrist and finger range of motion, pain, need for additional surgery, and return to work. Of the ten patients available for follow-up (mean, three years), all had been treated with ORIF (eight within forty-eight hours of injury and two had treatment delayed for four weeks because of delayed diagnosis and management of more serious injuries). Three patients had additional surgery (planned secondary second and third CMC arthrodeses). Grip strength of the operated hand in the five patients with JAMAR testing was 50 percent (n = 3), 75 percent (n = 1), and 90 percent (n = 1) of that in their contralateral hands. Five patients were pain-free, and five reported occasional, activity-related pain. The five patients who worked before the injury returned to their previous occupations (one with slightly modified duties). This is the largest series of patients with this CMC injury complex and the first report of open CMC dorsal dislocations and fracture-dislocations. Although early ORIF is suggested, delay of up to four weeks did not adversely affect results.

Nationwide multicenter follow-up cohort study of hip arthroplasties performed for osteonecrosis of the femoral head.

PubMed

Kobayashi, Seneki; Kubo, Toshikazu; Iwamoto, Yukihide; Fukushima, Wakaba; Sugano, Nobuhiko

2018-05-12

To identify modifiable factors related to post-operative dislocation and reoperation in patients with osteonecrosis of the femoral head (ONFH) in a large cohort. We studied 4995 hip arthroplasties: total hip arthroplasty (THA) was performed in 79% of patients; bipolar hemiarthroplasty (BP), 17%; total resurfacing arthroplasty (tRS), 3%; and hemi-resurfacing arthroplasty (hRS), 1%. A new type of BP (accounting for 49% of BPs) comprised a femoral component with a polished or smooth, small-diameter (approximately 10 mm) neck with a round or oval axial cut surface and no sharp corners. The infection rate was relatively low (0.56%) even though 58% of cases of ONFH were associated with systemic steroid use, a known risk factor for infection. Post-operative dislocation occurred in 4.3% of cases, with re-operation needed in 3.9%. The dislocation rate was related to surgery type: 5.2% in THA, 0.9% in BP, and 0% in tRS and hRS. Among total arthroplasties with six month or longer follow-up (3670 THAs and 159 tRSs), the risk factors for post-operative dislocation were younger (≤ 40 years) or older (≥ 62 years) age, higher body weight, posterolateral approach, and smaller prosthetic head diameter. Regarding the need for re-operation, higher body weight and surgery type were identified as risk factors. The relatively high dislocation rate of 5.2% in THA is a cause for concern. The identified risk factors for dislocation should be considered when selecting THA for treatment. Prosthesis survivorship in hRSs was inferior to that in BPs or THAs. Body weight also affected the survivorship of hip arthroplasties.

Radiation damage characterization in reactor pressure vessel steels with nonlinear ultrasound

NASA Astrophysics Data System (ADS)

Matlack, K. H.; Kim, J.-Y.; Wall, J. J.; Qu, J.; Jacobs, L. J.

2014-02-01

Nuclear generation currently accounts for roughly 20% of the US baseload power generation. Yet, many US nuclear plants are entering their first period of life extension and older plants are currently undergoing assessment of technical basis to operate beyond 60 years. This means that critical components, such as the reactor pressure vessel (RPV), will be exposed to higher levels of radiation than they were originally intended to withstand. Radiation damage in reactor pressure vessel steels causes microstructural changes such as vacancy clusters, precipitates, dislocations, and interstitial loops that leave the material in an embrittled state. The development of a nondestructive evaluation technique to characterize the effect of radiation exposure on the properties of the RPV would allow estimation of the remaining integrity of the RPV with time. Recent research has shown that nonlinear ultrasound is sensitive to radiation damage. The physical effect monitored by nonlinear ultrasonic techniques is the generation of higher harmonic frequencies in an initially monochromatic ultrasonic wave, arising from the interaction of the ultrasonic wave with microstructural features such as dislocations, precipitates, and their combinations. Current findings relating the measured acoustic nonlinearity parameter to increasing levels of neutron fluence for different representative RPV materials are presented.

One dimensional motion of interstitial clusters and void growth in Ni and Ni alloys

NASA Astrophysics Data System (ADS)

Yoshiie, T.; Ishizaki, T.; Xu, Q.; Satoh, Y.; Kiritani, M.

2002-12-01

One dimensional (1-D) motion of interstitial clusters is important for the microstructural evolution in metals. In this paper, the effect of 2 at.% alloying with elements Si (volume size factor to Ni: -5.81%), Cu (7.18%), Ge (14.76%) and Sn (74.08%) in Ni on 1-D motion of interstitial clusters and void growth was studied. In neutron irradiated pure Ni, Ni-Cu and Ni-Ge, well developed dislocation networks and voids in the matrix, and no defects near grain boundaries were observed at 573 K to a dose of 0.4 dpa by transmission electron microscopy. No voids were formed and only interstitial type dislocation loops were observed near grain boundaries in Ni-Si and Ni-Sn. The reaction kinetics analysis which included the point defect flow into planar sink revealed the existence of 1-D motion of interstitial clusters in Ni, Ni-Cu and Ni-Ge, and lack of such motion in Ni-Si and Ni-Sn. In Ni-Sn and Ni-Si, the alloying elements will trap interstitial clusters and thereby reduce the cluster mobility, which lead to the reduction in void growth.

Control of polymer network topology in semi-batch systems

NASA Astrophysics Data System (ADS)

Wang, Rui; Olsen, Bradley; Johnson, Jeremiah

Polymer networks invariably possess topological defects: loops of different orders. Since small loops (primary loops and secondary loops) both lower the modulus of network and lead to stress concentration that causes material failure at low deformation, it is desirable to greatly reduce the loop fraction. We have shown that achieving loop fraction close to zero is extremely difficult in the batch process due to the slow decay of loop fraction with the polymer concentration and chain length. Here, we develop a modified kinetic graph theory that can model network formation reactions in semi-batch systems. We demonstrate that the loop fraction is not sensitive to the feeding policy if the reaction volume maintains constant during the network formation. However, if we initially put concentrated solution of small junction molecules in the reactor and continuously adding polymer solutions, the fractions of both primary loop and higher-order loops will be significantly reduced. There is a limiting value (nonzero) of loop fraction that can be achieved in the semi-batch system in condition of extremely slow feeding rate. This minimum loop fraction only depends on a single dimensionless variable, the product of concentration and with single chain pervaded volume, and defines an operating zone in which the loop fraction of polymer networks can be controlled through adjusting the feeding rate of the semi-batch process.

Jaw Dislocation

MedlinePlus

... avoid opening the mouth wide for at least 6 weeks. When anticipating a yawn, people should place a fist under their chin to prevent it from opening wide. People must cut their food into small pieces. For people who have had more than one ...

Assessment of Radiation Embrittlement in Nuclear Reactor Pressure Vessel Surrogate Materials

NASA Astrophysics Data System (ADS)

Balzar, Davor

2010-10-01

The radiation-enhanced formation of small (1-2 nm) copper-rich precipitates (CRPs) is critical for the occurrence of embrittlement in nuclear-reactor pressure vessels. Small CRPs are coherent with the bcc matrix, which causes local matrix strain and interaction with the dislocation strain fields, thus impeding dislocation mobility. As CRPs grow, there is a critical size at which a phase transformation occurs, whereby the CRPs are no longer coherent with the matrix, and the strain is relieved. Diffraction-line-broadening analysis (DLBA) and small-angle neutron scattering (SANS) were used to characterize the precipitate formation in surrogate ferritic reactor-pressure vessel steels. The materials were aged for different times at elevated temperature to produce a series of specimens with different degrees of copper precipitation. SANS measurements showed that the precipitate size distribution broadens and shifts toward larger sizes as a function of ageing time. Mechanical hardness showed an increase with ageing time, followed by a decrease, which can be associated with the reduction in the number density as well as the loss of coherency at larger sizes. Inhomogeneous strain correlated with mechanical hardness.

Microplastic flow in SIC/AL composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, N.; Arsenault, R.J.

Experimentally it has been determined that if a composite containing a reinforcement which has a different (in general lower) thermal coefficient of expansion as compared to the matrix, then upon cooling from the processing or annealing temperature, plastic relaxation of the misfit strain will occur. Also, experimentally it has been shown that as the size of the reinforcement is increased, i.e., from small spheres to large spheres, there is a decrease in the summation of the effective plastic strain in the matrix. In other words there is a decrease in the average dislocation density in the matrix. However, if themore » shape of the reinforcement is changed from spherical to short fiber to continuous filament, then the dislocation density increases. This experimental data is obtained at a constant volume fraction. A very simple model of plastic relaxation based on prismatic punching of dislocations from the interface can account for the decrease in the dislocation density with an increase reinforcement size, and the increase in dislocation density when changing the shape from a sphere to a continuous filament. A FEM analysis of the shape factor is also capable of predicting the correct trend. However, at present the continuum mechanics methods that have been investigated can not predict the size dependence. A simple model to explain the size effect in Al{sub 2}O{sub 3}/NiAl composites based on the deformation characteristics of NiAl will be discussed.« less

A comparison of EBSD based strain indicators for the study of Fe-3Si steel subjected to cyclic loading

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schayes, Claire; Valeo Engine Electrical Systems, 2 Rue André Boulle, 94046 Créteil; Bouquerel, Jérémie, E-mail: jeremie.bouquerel@univ-lille1.fr

The current work aims at proposing an EBSD-based indicator for fatigue damage of a Fe-3Si steel. At the same time direct observation of dislocation structures is provided by electron channelling contrast imaging (ECCI). The investigation consisted in processing the EBSD data from patterns collected on specimen subjected to low cycle fatigue. It revealed two different regimes depending on the applied total strain variation which is explained by the identification of the dislocations structures and their evolution. At low strain variation, strain accommodation occurs by planar glide of dislocations uniformly distributed throughout the grains. No misorientation evolution is observed. At highermore » strain variation, the vein-channel structure is observed within the grain and the wall-channel structure in the vicinity of grain boundaries. The misorientation between these two dislocation structures is evaluated at about 0.7° which is detected by the EBSD analyses and explains the increase of the different misorientation based criteria. The EBSD study enables also the prediction of crack initiation mode. Finally, this study points out the limits of the EBSD technique as no misorientation evolution is detected at small strain variation. Indeed, the lattice distortion is too weak to be detected by conventional EBSD. - Highlights: • Microstructure investigation of the fatigue behaviour of an iron-silicon steel • Use of cECCI to investigate the fatigue dislocations structures • Characterisation of local plastic accommodation through EBSD misorientation criteria.« less

On the Casimir scaling violation in the cusp anomalous dimension at small angle

NASA Astrophysics Data System (ADS)

Grozin, Andrey; Henn, Johannes; Stahlhofen, Maximilian

2017-10-01

We compute the four-loop n f contribution proportional to the quartic Casimir of the QCD cusp anomalous dimension as an expansion for small cusp angle ϕ. This piece is gauge invariant, violates Casimir scaling, and first appears at four loops. It requires the evaluation of genuine non-planar four-loop Feynman integrals. We present results up to O({φ}^4) . One motivation for our calculation is to probe a recent conjecture on the all-order structure of the cusp anomalous dimension. As a byproduct we obtain the four-loop HQET wave function anomalous dimension for this color structure.

Time-dependent edge-notch sensitivity of oxide and gamma prime dispersion strengthened sheet materials at 1000 to 1800 F (538 - 982 C)

NASA Technical Reports Server (NTRS)

Wilson, D. J.

1972-01-01

Research was carried out to determine whether an oxide dispersion hardened alloy, TD-Ni, Cr, and low volume fraction gamma prime strengthened nickel-base alloy, Modified Waspaloy, were susceptible to time-dependent edge-notch sensitivity. The results were evaluated in terms of the mechanical characteristics of the alloys and the dislocation motion mechanisms operative. As far as could be determined, the results of the investigation were consistent with the following important concepts developed for Waspaloy and Inconel 718: (1) Time-dependent edge-notch sensitivity occurs when notched specimens are loaded below the approximate 0.2 percent smooth specimen offset yield strength and when data from smooth specimens indicate that small amounts of creep consume large rupture life fractions. (2) When precipitate particles are sheared by dislocations, the deformation is localized and time-dependent notch sensitivity occurs. When dislocations by-pass precipitate particles the deformation is homogeneous. Under these conditions, no time-dependent notch sensitivity has been observed.

Injected carrier concentration dependence of the expansion of single Shockley-type stacking faults in 4H-SiC PiN diodes

NASA Astrophysics Data System (ADS)

Tawara, T.; Matsunaga, S.; Fujimoto, T.; Ryo, M.; Miyazato, M.; Miyazawa, T.; Takenaka, K.; Miyajima, M.; Otsuki, A.; Yonezawa, Y.; Kato, T.; Okumura, H.; Kimoto, T.; Tsuchida, H.

2018-01-01

We investigated the relationship between the dislocation velocity and the injected carrier concentration on the expansion of single Shockley-type stacking faults by monitoring the electroluminescence from 4H-SiC PiN diodes with various anode Al concentrations. The injected carrier concentration was calculated using a device simulation that took into account the measured accumulated charge in the drift layer during diode turn-off. The dislocation velocity was strongly dependent on the injected hole concentration, which represents the excess carrier concentration. The activation energy of the dislocation velocity was quite small (below 0.001 eV between 310 and 386 K) over a fixed range of hole concentrations. The average threshold hole concentration required for the expansion of bar-shaped single Shockley-type stacking faults at the interface between the buffer layer and the substrate was determined to be 1.6-2.5 × 1016 cm-3 for diodes with a p-type epitaxial anode with various Al concentrations.

Scanning electron microscopy imaging of dislocations in bulk materials, using electron channeling contrast.

PubMed

Crimp, Martin A

2006-05-01

The imaging and characterization of dislocations is commonly carried out by thin foil transmission electron microscopy (TEM) using diffraction contrast imaging. However, the thin foil approach is limited by difficult sample preparation, thin foil artifacts, relatively small viewable areas, and constraints on carrying out in situ studies. Electron channeling imaging of electron channeling contrast imaging (ECCI) offers an alternative approach for imaging crystalline defects, including dislocations. Because ECCI is carried out with field emission gun scanning electron microscope (FEG-SEM) using bulk specimens, many of the limitations of TEM thin foil analysis are overcome. This paper outlines the development of electron channeling patterns and channeling imaging to the current state of the art. The experimental parameters and set up necessary to carry out routine channeling imaging are reviewed. A number of examples that illustrate some of the advantages of ECCI over thin foil TEM are presented along with a discussion of some of the limitations on carrying out channeling contrast analysis of defect structures. Copyright (c) 2006 Wiley-Liss, Inc.

Positron annihilation lifetime study of oxide dispersion strengthened steels

NASA Astrophysics Data System (ADS)

Krsjak, V.; Szaraz, Z.; Hähner, P.

2012-09-01

A comparative positron annihilation lifetime study has been performed on various commercial ferritic and ferritic/martensitic oxide dispersion strengthened (ODS) steels. Both as-extruded and recrystallized materials were investigated. In the materials with recrystallized coarse-grained microstructures, only the positron trapping at small vacancy clusters and yttria nanofeatures was observed. Materials which had not undergone recrystallization treatment clearly showed additional positron trapping which is associated with dislocations. Dislocation densities were calculated from a two-component decomposition of the positron lifetime spectra by assuming the first component to be a superposition of the bulk controlled annihilation rate and the dislocation controlled trapping rate. The second component (which translates into lifetimes of 240-260 ps) was found to be well separated in all those ODS materials. This paper presents the potentialities and limitations of the positron annihilation lifetime spectroscopy, and discusses the results of the experimental determination of the defect concentrations and sensitivity of this technique to the material degradation due to thermally induced precipitation of chromium-rich α' phases.

The effect of the initial microstructure in terms of sink strength on the ion-irradiation-induced hardening of ODS alloys studied by nanoindentation

NASA Astrophysics Data System (ADS)

Duan, Binghuang; Heintze, Cornelia; Bergner, Frank; Ulbricht, Andreas; Akhmadaliev, Shavkat; Oñorbe, Elvira; de Carlan, Yann; Wang, Tieshan

2017-11-01

Oxide dispersion strengthened (ODS) Fe-Cr alloys are promising candidates for structural components in nuclear energy production. The small grain size, high dislocation density and the presence of particle matrix interfaces may contribute to the improved irradiation resistance of this class of alloys by providing sinks and/or traps for irradiation-induced point defects. The extent to which these effects impede hardening is still a matter of debate. To address this problem, a set of alloys of different grain size, dislocation density and oxide particle distribution were selected. In this study, three-step Fe-ion irradiation at both 300 °C and 500 °C up to 10 dpa was used to introduce damage in five different materials including three 9Cr-ODS alloys, one 14Cr-ODS alloy and one 14Cr-non-ODS alloy. Electron backscatter diffraction (EBSD), transmission electron microscopy (TEM), small angle neutron scattering (SANS), and nanoindentation testing were applied, the latter before and after irradiation. Significant hardening occurred for all materials and temperatures, but it is distinctly lower in the 14Cr alloys and also tends to be lower at the higher temperature. The possible contribution of Cr-rich α‧-phase particles is addressed. The impact of grain size, dislocation density and particle distribution is demonstrated in terms of an empirical trend between total sink strength and hardening.

Understanding of surface pit formation mechanism of GaN grown in MOCVD based on local thermodynamic equilibrium assumption

NASA Astrophysics Data System (ADS)

Zhi-Yuan, Gao; Xiao-Wei, Xue; Jiang-Jiang, Li; Xun, Wang; Yan-Hui, Xing; Bi-Feng, Cui; De-Shu, Zou

2016-06-01

Frank’s theory describes that a screw dislocation will produce a pit on the surface, and has been evidenced in many material systems including GaN. However, the size of the pit calculated from the theory deviates significantly from experimental result. Through a careful observation of the variations of surface pits and local surface morphology with growing temperature and V/III ratio for c-plane GaN, we believe that Frank’s model is valid only in a small local surface area where thermodynamic equilibrium state can be assumed to stay the same. If the kinetic process is too vigorous or too slow to reach a balance, the local equilibrium range will be too small for the center and edge of the screw dislocation spiral to be kept in the same equilibrium state. When the curvature at the center of the dislocation core reaches the critical value 1/r 0, at the edge of the spiral, the accelerating rate of the curvature may not fall to zero, so the pit cannot reach a stationary shape and will keep enlarging under the control of minimization of surface energy to result in a large-sized surface pit. Project supported by the National Natural Science Foundation of China (Grant Nos. 11204009 and 61204011) and the Beijing Municipal Natural Science Foundation, China (Grant No. 4142005).

Molecular dynamics modeling of helium bubbles in austenitic steels

NASA Astrophysics Data System (ADS)

Jelea, A.

2018-06-01

The austenitic steel devices from pressurized water reactors are continuously subjected to neutron irradiation that produces crystalline point defects and helium atoms in the steel matrix. These species evolve into large defects such as dislocation loops and helium filled bubbles. This paper analyzes, through molecular dynamics simulations with recently developed interatomic potentials, the impact of the helium/steel interface on the helium behavior in nanosize bubbles trapped in an austenitic steel matrix. It is shown that the repulsive helium-steel interactions induce higher pressures in the bubble compared to bulk helium at the same temperature and average density. A new equation of state for helium is proposed in order to take into account these interface effects.

Pathways to naturally small Dirac neutrino masses

DOE PAGES

Ma, Ernest; Popov, Oleg

2016-11-18

If neutrinos are truly Dirac fermions, the smallness of their masses may still be natural if certain symmetries exist beyond those of the standard model of quarks and leptons. We perform a systematic study of how this may occur at tree level and in one loop. As a result, we also propose a scotogenic version of the left-right gauge model with naturally small Dirac neutrino masses in one loop.

Impurity effects on the grain boundary cohesion in copper

NASA Astrophysics Data System (ADS)

Li, Yunguo; Korzhavyi, Pavel A.; Sandström, Rolf; Lilja, Christina

2017-12-01

Segregated impurities at grain boundaries can dramatically change the mechanical behavior of metals, while the mechanism is still obscure in some cases. Here, we suggest a unified approach to investigate segregation and its effects on the mechanical properties of polycrystalline alloys using the example of 3 s p impurities (Mg, Al, Si, P, or S) at a special type Σ 5 (310 )[001 ] tilt grain boundary in Cu. We show that for these impurities segregating to the grain boundary, the strain contribution to the work of grain boundary decohesion is small and that the chemical contribution correlates with the electronegativity difference between Cu and the impurity. The strain contribution to the work of dislocation emission is calculated to be negative, while the chemical contribution is calculated to be always positive. Both the strain and chemical contributions to the work of dislocation emission generally become weaker with the increasing electronegativity from Mg to S. By combining these contributions together, we find, in agreement with experimental observations, that a strong segregation of S can reduce the work of grain boundary separation below the work of dislocation emission, thus embrittling Cu, while such an embrittlement cannot be produced by a P segregation because it lowers the energy barrier for dislocation emission relatively more than for work separation.

Length-dependent mechanical properties of gold nanowires

NASA Astrophysics Data System (ADS)

Han, Jing; Fang, Liang; Sun, Jiapeng; Han, Ying; Sun, Kun

2012-12-01

The well-known "size effect" is not only related to the diameter but also to the length of the small volume materials. It is unfortunate that the length effect on the mechanical behavior of nanowires is rarely explored in contrast to the intensive studies of the diameter effect. The present paper pays attention to the length-dependent mechanical properties of <111>-oriented single crystal gold nanowires employing the large-scale molecular dynamics simulation. It is discovered that the ultrashort Au nanowires exhibit a new deformation and failure regime-high elongation and high strength. The constrained dislocation nucleation and transient dislocation slipping are observed as the dominant mechanism for such unique combination of high strength and high elongation. A mechanical model based on image force theory is developed to provide an insight to dislocation nucleation and capture the yield strength and nucleation site of first partial dislocation indicated by simulation results. Increasing the length of the nanowires, the ductile-to-brittle transition is confirmed. And the new explanation is suggested in the predict model of this transition. Inspired by the superior properties, a new approach to strengthen and toughen nanowires-hard/soft/hard sandwich structured nanowires is suggested. A preliminary evidence from the molecular dynamics simulation corroborates the present opinion.

Structural defects in bulk GaN

NASA Astrophysics Data System (ADS)

Liliental-Weber, Z.; dos Reis, R.; Mancuso, M.; Song, C. Y.; Grzegory, I.; Porowski, S.; Bockowski, M.

2014-10-01

Transmission Electron Microscopy (TEM) studies of undoped and Mg doped GaN layers grown on the HVPE substrates by High Nitrogen Pressure Solution (HNPS) with the multi-feed-seed (MFS) configuration are shown. The propagation of dislocations from the HVPE substrate to the layer is observed. Due to the interaction between these dislocations in the thick layers much lower density of these defects is observed in the upper part of the HNPS layers. Amorphous Ga precipitates with attached voids pointing toward the growth direction are observed in the undoped layer. This is similar to the presence of Ga precipitates in high-pressure platelets, however the shape of these precipitates is different. The Mg doped layers do not show Ga precipitates, but MgO rectangular precipitates are formed, decorating the dislocations. Results of TEM studies of HVPE layers grown on Ammonothermal substrates are also presented. These layers have superior crystal quality in comparison to the HNPS layers, as far as density of dislocation is concern. Occasionally some small inclusions can be found, but their chemical composition was not yet determined. It is expected that growth of the HNPS layers on these substrate will lead to large layer thickness obtained in a short time and with high crystal perfection needed in devices.

Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments

DOE PAGES

Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke; ...

2015-08-08

Using molecular dynamics simulations, we elucidate irradiation-induced point defect evolution in fcc pure Ni, Ni 0.5Fe 0.5, and Ni 0.8Cr 0.2 solid solution alloys. We find that irradiation-induced interstitials form dislocation loops that are of 1/3 <111>{111}-type, consistent with our experimental results. While the loops are formed in all the three materials, the kinetics of formation is considerably slower in NiFe and NiCr than in pure Ni, indicating that defect migration barriers and extended defect formation energies could be higher in the alloys than pure Ni. As a result, while larger size clusters are formed in pure Ni, smaller andmore » more clusters are observed in the alloys. The vacancy diffusion occurs at relatively higher temperatures than interstitials, and their clustering leads to formation of stacking fault tetrahedra, also consistent with our experiments. The results also show that the surviving Frenkel pairs are composition-dependent and are largely Ni dominated.« less

Annealing effect on microstructural recovery in 316L and A533B

NASA Astrophysics Data System (ADS)

Hashimoto, N.; Goto, S.; Inoue, S.; Suzuki, E.

2017-11-01

An austenitic model alloy (316L) and a low alloy steel (A533B) were exposed to constant or fluctuating temperature after electron irradiation to a cumulative damage level of 1 displacement per atom. 316L model alloy was exposed to LWR operating temperature during electron irradiation, and were exposed to a higher temperature at a high heating and cooling rates. The annealing experiment after irradiation to 316L resulted in the change in irradiation-induced microstructure; both the size and the number density of Frank loop and black dots were decreased, while the volume fraction of void was increased. In the case of A533B, the aging experiment after electron irradiation resulted in the shrinkage or the disappearance of black dots and the growth of dislocation loops. It is suggested that during annealing and/or aging at a high temperature the excess vacancies could be provided and flew into each defect feature, resulting in that interstitial type feature could be diminished, while vacancy type increased in volume fraction if exists.

Effect of solute atoms on swelling in Ni alloys and pure Ni under He + ion irradiation

NASA Astrophysics Data System (ADS)

Wakai, E.; Ezawa, T.; Imamura, J.; Takenaka, T.; Tanabe, T.; Oshima, R.

2002-12-01

The effects of solute atoms on microstructural evolutions have been investigated using Ni alloys under 25 keV He + irradiation at 500 °C. The specimens used were pure Ni, Ni-Si, Ni-Co, Ni-Cu, Ni-Mn and Ni-Pd alloys with different volume size factors. The high number densities of dislocation loops about 1.5×10 22 m -3 were formed in the specimens irradiated to 1×10 19 ions/m 2, and they were approximately equivalent, except for Ni-Si. The mean size of loops tended to increase with the volume size factor of solute atoms. In a dose of 4×10 20 ions/m 2, the swelling was changed from 0.2% to 4.5%, depending on the volume size factors. The number densities of bubbles tended to increase with the absolute values of the volume size factor, and the swelling increased with the volume size factors. This suggests that the mobility of helium and vacancy atoms may be influenced by the interaction of solute atoms with them.

Role of refractory inclusions in the radiation-induced microstructure of APMT

NASA Astrophysics Data System (ADS)

Zhang, Dalong; Briggs, Samuel A.; Field, Kevin G.

2018-07-01

Kanthal APMT is a promising FeCrAl-based alloy for accident-tolerant fuel cladding because of its excellent high-temperature oxidation resistance. In this study, powder metallurgy Kanthal APMT alloy, neutron irradiated to 1.8 dpa at nominally 382 °C, was characterized. On-zone STEM imaging revealed that radiation-induced dislocation loops with Burgers vectors of a/2<111> or a < 100 > and black dots tended to agglomerate in the vicinity of refractory inclusions. The densities and sizes of these loops decreased with distance from the inclusion-matrix interfaces. In addition, high-resolution energy-dispersive X-ray spectroscopy mapping was used to determine the inclusions to be either yttrium- or silicon-rich, as well as to detect the radial distribution of radiation-enhanced α‧ phase near these inclusions. A high density of randomly distributed Cr-rich α‧ phase was found, regardless of the presence of inclusions. Results from this study provide insights into how microstructural features can locally tailor the radiation-induced defects in FeCrAl-based alloys.

Abelian Higgs cosmic strings: Small-scale structure and loops

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hindmarsh, Mark; Stuckey, Stephanie; Bevis, Neil

2009-06-15

Classical lattice simulations of the Abelian Higgs model are used to investigate small-scale structure and loop distributions in cosmic string networks. Use of the field theory ensures that the small-scale physics is captured correctly. The results confirm analytic predictions of Polchinski and Rocha 29 for the two-point correlation function of the string tangent vector, with a power law from length scales of order the string core width up to horizon scale. An analysis of the size distribution of string loops gives a very low number density, of order 1 per horizon volume, in contrast with Nambu-Goto simulations. Further, our loopmore » distribution function does not support the detailed analytic predictions for loop production derived by Dubath et al. 30. Better agreement to our data is found with a model based on loop fragmentation 32, coupled with a constant rate of energy loss into massive radiation. Our results show a strong energy-loss mechanism, which allows the string network to scale without gravitational radiation, but which is not due to the production of string width loops. From evidence of small-scale structure we argue a partial explanation for the scale separation problem of how energy in the very low frequency modes of the string network is transformed into the very high frequency modes of gauge and Higgs radiation. We propose a picture of string network evolution, which reconciles the apparent differences between Nambu-Goto and field theory simulations.« less

Defining the RNA Internal Loops Preferred by Benzimidazole Derivatives via Two-Dimensional Combinatorial Screening and Computational Analysis

PubMed Central

Velagapudi, Sai Pradeep; Seedhouse, Steven J.; French, Jonathan

2011-01-01

RNA is an important therapeutic target, however, RNA targets are generally underexploited due to a lack of understanding of the small molecules that bind RNA and the RNA motifs that bind small molecules. Herein, we describe the identification of the RNA internal loops derived from a 4096-member 3×3 nucleotide loop library that are the most specific and highest affinity binders to a series of four designer, drug-like benzimidazoles. These studies establish a potentially general protocol to define the highest affinity and most specific RNA motif targets for heterocyclic small molecules. Such information could be used to target functionally important RNAs in genomic sequence. PMID:21604752

Coronal hole boundaries evolution at small scales. I. EIT 195 Å  and TRACE 171 Å view

NASA Astrophysics Data System (ADS)

Madjarska, M. S.; Wiegelmann, T.

2009-09-01

Aims: We aim to study the small-scale evolution at the boundaries of an equatorial coronal hole connected with a channel of open magnetic flux to the polar region and an “isolated” one in the extreme-ultraviolet spectral range. We determine the spatial and temporal scale of these changes. Methods: Imager data from TRACE in the Fe ix/x 171 Å passband and EIT on-board Solar and Heliospheric Observatory in the Fe xii 195 Å passband were analysed. Results: We found that small-scale loops known as bright points play an essential role in coronal hole boundary evolution at small scales. Their emergence and disappearance continuously expand or contract coronal holes. The changes appear to be random on a time scale comparable to the lifetime of the loops seen at these temperatures. No signature was found for a major energy release during the evolution of the loops. Conclusions: Although coronal holes seem to maintain their general shape during a few solar rotations, a closer look at their day-by-day and even hour-by-hour evolution demonstrates significant dynamics. The small-scale loops (10´´-40´´ and smaller) which are abundant along coronal hole boundaries contribute to the small-scale evolution of coronal holes. Continuous magnetic reconnection of the open magnetic field lines of the coronal hole and the closed field lines of the loops in the quiet Sun is more likely to take place. Movies are only available in electronic form at http://www.aanda.org

Parameters of loop-controlled magnetic rheology drive for segmented large mirror

NASA Astrophysics Data System (ADS)

Deulin, Eugeni A.; Mikhailov, Valeri P.; Eliseev, Oleg N.; Sytchev, Victor V.

2000-07-01

The design, parameters and the amplitude-frequency analysis of the new magnetic rheology (MR) drive are presented. The combination of hydrostatic carrier, MR hydraulic loop control, elastic thin wall seal joined in a single unit ensures small positioning error nm and small time of response T

Growth and Characterization of 3C-SiC and 2H-AIN/GaN Films and Devices Produced on Step-Free 4H-SiC Mesa Substrates

NASA Technical Reports Server (NTRS)

Neudeck, P. G.; Du, H.; Skowronski, M.; Spry, D. J.; Trunek, A. J.

2007-01-01

While previously published experimental results have shown that the step-free (0 0 0 1) 4H-SiC mesa growth surface uniquely enables radical improvement of 3C-SiC and 2H-AlN/GaN heteroepitaxial film quality (greater than 100-fold reduction in extended defect densities), important aspects of the step-free mesa heterofilm growth processes and resulting electronic device benefits remain to be more fully elucidated. This paper reviews and updates recent ongoing studies of 3C-SiC and 2H-AlN/GaN heteroepilayers grown on top of 4H-SiC mesas. For both 3C-SiC and AlN/GaN films nucleated on 4H-SiC mesas rendered completely free of atomic-scale surface steps, TEM studies reveal that relaxation of heterofilm strain arising from in-plane film/substrate lattice constant mismatch occurs in a remarkably benign manner that avoids formation of threading dislocations in the heteroepilayer. In particular, relaxation appears to occur via nucleation and inward lateral glide of near-interfacial dislocation half-loops from the mesa sidewalls. Preliminary studies of homojunction diodes implemented in 3C-SiC and AlN/GaN heterolayers demonstrate improved electrical performance compared with much more defective heterofilms grown on neighbouring stepped 4H-SiC mesas. Recombination-enhanced dislocation motion known to degrade forward-biased 4H-SiC bipolar diodes has been completely absent from our initial studies of 3C-SiC diodes, including diodes implemented on defective 3C-SiC heterolayers grown on stepped 4H-SiC mesas.

Innovative hybrid pile oscillator technique in the Minerve reactor: open loop vs. closed loop

NASA Astrophysics Data System (ADS)

Geslot, Benoit; Gruel, Adrien; Bréaud, Stéphane; Leconte, Pierre; Blaise, Patrick

2018-01-01

Pile oscillator techniques are powerful methods to measure small reactivity worth of isotopes of interest for nuclear data improvement. This kind of experiments has long been implemented in the Mineve experimental reactor, operated by CEA Cadarache. A hybrid technique, mixing reactivity worth estimation and measurement of small changes around test samples is presented here. It was made possible after the development of high sensitivity miniature fission chambers introduced next to the irradiation channel. A test campaign, called MAESTRO-SL, took place in 2015. Its objective was to assess the feasibility of the hybrid method and investigate the possibility to separate mixed neutron effects, such as fission/capture or scattering/capture. Experimental results are presented and discussed in this paper, which focus on comparing two measurements setups, one using a power control system (closed loop) and another one where the power is free to drift (open loop). First, it is demonstrated that open loop is equivalent to closed loop. Uncertainty management and methods reproducibility are discussed. Second, results show that measuring the flux depression around oscillated samples provides valuable information regarding partial neutron cross sections. The technique is found to be very sensitive to the capture cross section at the expense of scattering, making it very useful to measure small capture effects of highly scattering samples.

Circuit Regulates Speed Of dc Motor

NASA Technical Reports Server (NTRS)

Weaver, Charles; Padden, Robin; Brown, Floyd A., Jr.

1990-01-01

Driving circuit regulates speed of small dc permanent-magnet motor in tape recorder. Two nested feedback loops maintain speed within 1 percent of constant value. Inner loop provides coarse regulation, while outer loop removes most of variation in speed that remains in the presence of regulation by the inner loop. Compares speed of motor with commanded speed and adjusts current supplied to motor accordingly.

Numerical analysis of stress effects on Frank loop evolution during irradiation in austenitic Fe&z.sbnd;Cr&z.sbnd;Ni alloy

NASA Astrophysics Data System (ADS)

Tanigawa, Hiroyasu; Katoh, Yutai; Kohyama, Akira

1995-08-01

Effects of applied stress on early stages of interstitial type Frank loop evolution were investigated by both numerical calculation and irradiation experiments. The final objective of this research is to propose a comprehensive model of complex stress effects on microstructural evolution under various conditions. In the experimental part of this work, the microstructural analysis revealed that the differences in resolved normal stress caused those in the nucleation rates of Frank loops on {111} crystallographic family planes, and that with increasing external applied stress the total nucleation rate of Frank loops was increased. A numerical calculation was carried out primarily to evaluate the validity of models of stress effects on nucleation processes of Frank loop evolution. The calculation stands on rate equuations which describe evolution of point defects, small points defect clusters and Frank loops. The rate equations of Frank loop evolution were formulated for {111} planes, considering effects of resolved normal stress to clustering processes of small point defects and growth processes of Frank loops, separately. The experimental results and the predictions from the numerical calculation qualitatively coincided well with each other.

The Role of Geometrically Necessary Dislocations in Cantilever Beam Bending Experiments of Single Crystals

PubMed Central

Husser, Edgar; Bargmann, Swantje

2017-01-01

The mechanical behavior of single crystalline, micro-sized copper is investigated in the context of cantilever beam bending experiments. Particular focus is on the role of geometrically necessary dislocations (GNDs) during bending-dominated load conditions and their impact on the characteristic bending size effect. Three different sample sizes are considered in this work with main variation in thickness. A gradient extended crystal plasticity model is presented and applied in a three-dimensional finite-element (FE) framework considering slip system-based edge and screw components of the dislocation density vector. The underlying mathematical model contains non-standard evolution equations for GNDs, crystal-specific interaction relations, and higher-order boundary conditions. Moreover, two element formulations are examined and compared with respect to size-independent as well as size-dependent bending behavior. The first formulation is based on a linear interpolation of the displacement and the GND density field together with a full integration scheme whereas the second is based on a mixed interpolation scheme. While the GND density fields are treated equivalently, the displacement field is interpolated quadratically in combination with a reduced integration scheme. Computational results indicate that GND storage in small cantilever beams strongly influences the evolution of statistically stored dislocations (SSDs) and, hence, the distribution of the total dislocation density. As a particular example, the mechanical bending behavior in the case of a physically motivated limitation of GND storage is studied. The resulting impact on the mechanical bending response as well as on the predicted size effect is analyzed. Obtained results are discussed and related to experimental findings from the literature. PMID:28772657

Rare small intestinal volvulus from entrapment in hepato-diaphragmatic adhesions in a 45-year-old lady

PubMed Central

Olaoye, Iyiade Olatunde; Adesina, Micheal Dapo

2016-01-01

Small intestinal volvulus is rare in adults and rarely caused by string adhesions between the liver and the diaphragm. Similar adhesions were described in Fitz-Hugh-Curtis syndrome. We report a 45-year-old lady with small intestinal volvulus from entrapment of a loop in string adhesions between the liver and the diaphragm. Her plain radiographs showed a significant shadow of the trapped loop. PMID:28003317

Fragmentation of cosmic-string loops

NASA Technical Reports Server (NTRS)

York, Thomas

1989-01-01

The fragmentation of cosmic string loops is discussed, and the results of a simulation of this process are presented. The simulation can evolve any of a large class of loops essentially exactly, including allowing fragments that collide to join together. Such reconnection enhances the production of small fragments, but not drastically. With or without reconnections, the fragmentation process produces a collection of nonself-intersecting loops whose typical length is on the order of the persistence length of the initial loop.

Small Bowel Dose Parameters Predicting Grade ≥3 Acute Toxicity in Rectal Cancer Patients Treated With Neoadjuvant Chemoradiation: An Independent Validation Study Comparing Peritoneal Space Versus Small Bowel Loop Contouring Techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Banerjee, Robyn, E-mail: robynbanerjee@gmail.com; Chakraborty, Santam; Nygren, Ian

Purpose: To determine whether volumes based on contours of the peritoneal space can be used instead of individual small bowel loops to predict for grade ≥3 acute small bowel toxicity in patients with rectal cancer treated with neoadjuvant chemoradiation therapy. Methods and Materials: A standardized contouring method was developed for the peritoneal space and retrospectively applied to the radiation treatment plans of 67 patients treated with neoadjuvant chemoradiation therapy for rectal cancer. Dose-volume histogram (DVH) data were extracted and analyzed against patient toxicity. Receiver operating characteristic analysis and logistic regression were carried out for both contouring methods. Results: Grade ≥3more » small bowel toxicity occurred in 16% (11/67) of patients in the study. A highly significant dose-volume relationship between small bowel irradiation and acute small bowel toxicity was supported by the use of both small bowel loop and peritoneal space contouring techniques. Receiver operating characteristic analysis demonstrated that, for both contouring methods, the greatest sensitivity for predicting toxicity was associated with the volume receiving between 15 and 25 Gy. Conclusion: DVH analysis of peritoneal space volumes accurately predicts grade ≥3 small bowel toxicity in patients with rectal cancer receiving neoadjuvant chemoradiation therapy, suggesting that the contours of the peritoneal space provide a reasonable surrogate for the contours of individual small bowel loops. The study finds that a small bowel V15 less than 275 cc and a peritoneal space V15 less than 830 cc are associated with a less than 10% risk of grade ≥3 acute toxicity.« less

Surgical treatment on displaced and dislocated sagittal fractures of the mandibular condyle.

PubMed

Jing, Jie; Han, Yu; Song, Yu; Wan, Yingbiao

2011-06-01

The purpose of this study was to evaluate the effect of surgical treatment on displaced and dislocated sagittal fractures of the mandibular condyle (SFMC). Twenty-four patients with 28 displaced and dislocated SFMCs were distinguished into type M, type C, and type L fractures according the location of the fracture line. The fractured fragment was reduced and fixated with two 0.6-mm 4-hole micro-plates via a preauricular temporal incision. The fragment was extirpated when it was too small to be fixated. The postoperative position and profile of the fragment was examined by orthopantomogram radiograph or computed tomography (CT). The function of the temporal and zygomatic branches of the facial nerve was inspected. The occluding relation was surveyed, the interincisal distance at maximum mouth opening was measured, and the deviation from the midline during mouth opening was recorded. Twenty-three condyles (82%) suffered dislocated fractures with the condylar fragment out of the glenoid fossa. Five condyles (18%) were displaced, but not dislocated. There were 2 (7%) type M, 19 (68%) type C (3 comminuted), and 7 (25%) type L fractures (1 comminuted), respectively. Twenty-one (75%) fractured fragments received free-graft procedures with 2 micro-plates. Four (14%) fragments were reduced and fixated without being dissected free of their attachments. Three (11%) fragments were extirpated. There were no permanent facial never branch injuries. Micro-plate removal was necessary because of postoperative infection and necrosis of the fractured fragment in 1 condylar process. No other patients could be found with obvious postoperative bone resorption. The average postoperative maximum mouth opening and deviation at 6 months were improved significantly. The postoperative occlusion was good in 22 cases. Access with the preauricular incision, and the dislocated and displaced fragment can be reduced and fixated to its normal position easily. Free-graft procedure is a suitable surgical treatment if the fractured fragment cannot be reduced without dissection free of the pterygoid muscle attachment. Although most fractured fragments in SFMCs have to be dissected free, there are no obvious complications in dislocated and displaced SFMCs after surgical treatment. Copyright © 2011 Mosby, Inc. All rights reserved.

Superior room-temperature ductility of typically brittle quasicrystals at small sizes

PubMed Central

Zou, Yu; Kuczera, Pawel; Sologubenko, Alla; Sumigawa, Takashi; Kitamura, Takayuki; Steurer, Walter; Spolenak, Ralph

2016-01-01

The discovery of quasicrystals three decades ago unveiled a class of matter that exhibits long-range order but lacks translational periodicity. Owing to their unique structures, quasicrystals possess many unusual properties. However, a well-known bottleneck that impedes their widespread application is their intrinsic brittleness: plastic deformation has been found to only be possible at high temperatures or under hydrostatic pressures, and their deformation mechanism at low temperatures is still unclear. Here, we report that typically brittle quasicrystals can exhibit remarkable ductility of over 50% strains and high strengths of ∼4.5 GPa at room temperature and sub-micrometer scales. In contrast to the generally accepted dominant deformation mechanism in quasicrystals—dislocation climb, our observation suggests that dislocation glide may govern plasticity under high-stress and low-temperature conditions. The ability to plastically deform quasicrystals at room temperature should lead to an improved understanding of their deformation mechanism and application in small-scale devices. PMID:27515779

Analysis of Workplace Accidents in Automotive Repair Workshops in Spain.

PubMed

López-Arquillos, Antonio; Rubio-Romero, Juan Carlos

2016-09-01

To analyze the effects of the factors associated with different types of injury (superficial wounds, dislocations and sprains, bone fractures, concussion and internal injuries, burns scalding and freezing) caused by occupational accidents in automotive repair workshops. Study of a sample consisting of 89,954 industry accidents reported from 2003 to 2008. Odds ratios were calculated with a 95% confidence interval. Belonging to a small company is a risk factor for suffering three of the five types of injury studied. Women are less likely to suffer burns and superficial wounds, and more likely to suffer dislocations or sprains. Foreign workers are more likely to suffer concussion and internal injuries. Health and safety strategies and accident prevention measures should be individualized and adapted to the type of worker most likely to be injured in each type of accident. Occupational health and safety training courses designed according to worker profile, and improving the participation of the workers in small firms creating regional or roving safety representatives would improve working conditions.

Image Guidance to Aid Pedicle Screw Fixation of a Lumbar Fracture-Dislocation Injury in a Toddler.

PubMed

Houten, John K; Nahkla, Jonathan; Ghandi, Shashank

2017-09-01

Pedicle screw fixation of the lumbar spine in children age <2 years is particularly challenging, as successful cannulation of the small pedicle dimensions requires a high level of precision and there are no implants specifically designed for the infant spine. Image-guided navigation is commonly used in adult spinal surgery and may be particularly helpful for the placement of spinal screws in areas where the bony anatomy is small and/or anatomically complex, as in the upper cervical area. A 19-month-old female presented with a fracture-dislocation injury of L1-2. Intraoperative imaging using the O-arm multidimensional imaging system was networked to a workstation, and neuronavigation was used to place pedicle instrumentation with 3.5-mm-diameter polyaxial screws designed for posterior cervical fixation. At a 48-month follow-up, the patient was neurologically intact, demonstrated normal physical development, and was engaging in normal physical activity for her age. Radiographs obtained approximately 4 years postsurgery showed no evidence of loss for fixation. Image-guided placement of pedicle screws may be a useful aid in achieving accurate and safe fixation in the small dimensions of the infant spine. Copyright © 2017 Elsevier Inc. All rights reserved.

Dislocation creep accommodated Grain Boundary Sliding: A high strain rate/low temperature deformation mechanism in calcite ultramylonites

NASA Astrophysics Data System (ADS)

Rogowitz, Anna; Grasemann, Bernhard

2014-05-01

Grain boundary sliding (GBS) is an important grain size sensitive deformation mechanism that is often associated with extreme strain localization and superplasticity. Another mechanism has to operate simultaneously to GBS in order to prevent overlaps and voids between sliding grains. One of the most common accommodating mechanisms is diffusional creep but, recently, dislocation creep has been reported to operate simultaneous to GBS. Due to the formation of a flanking structure in nearly pure calcite marble on Syros (Cyclades, Greece) at lower greenschist facies conditions, an extremely fine grained ultramylonite developed. The microstructure of the layer is characterized by (1) calcite grains with an average grain size of 3.6 µm (developed by low temperature/high strain rate grain boundary migration recrystallization, BLG), (2) grain boundary triple junctions with nearly 120° angles and (3) small cavities preferentially located at triple junctions and at grain boundaries in extension. These features suggest that the dominant deformation mechanism was GBS. In order to get more information on the accommodation mechanism detailed microstructural and textural analyses have been performed on a FEI Quanta 3D FEG instrument equipped with an EDAX Digiview IV EBSD camera. The misorientation distribution curves for correlated and uncorrelated grains follow almost perfect the calculated theoretical curve for a random distribution, which is typical for polycrystalline material deformed by GBS. However, the crystallographic preferred orientation indicates that dislocation creep might have operated simultaneously. We also report Zener-Stroh cracks resulting from dislocation pile up, indicating that dislocation movement was active. We, therefore, conclude that the dominant deformation mechanism was dislocation creep accommodated grain boundary sliding. This is consistent with the observed grain size range that plots at the field boundary between grain size insensitive and grain size sensitive creep, in a deformation mechanism map for calcite.

RETRACTED ARTICLE: Precipitation behavior of B2-ordered aluminide

NASA Astrophysics Data System (ADS)

Han, Chang-Suk

2006-12-01

Fine dispersion of disordered phases is obtained in Ni-Al-Cr and Fe-Al-Co temary systems. A transmission electron microscope investigation has been performed on the precipitation of α-Cr in B2-ordered β-NiAl with different stoichiometry and α-Fe in B2-FeAl(Co) compound. Precipitation behavior and hardening were investigated by measuring the hardness variation. The hardness of NiAl and FeAl increases appreciably with the fine precipitation of α-Cr and α-Fe, and over-age softening occurs after prolonged aging. In the case of B2-NiAl(Cr), perfect lattice coherency is maintained at the interfaces between the α-Cr particles and the matrix during the initial stage of aging. After prolonged aging, a loss of coherency occurs by the attraction of matrix dislocations to the particle/matrix interface, followed by climbing around the particles. On the other hand, in the case of B2-FeAl(Co), the disordered α-Fe phase is present as a precipitate in the B2-FeAl(Co) matrix and has a cubic-cubic orientation with the matrix. At the early aging periods, prismatic dislocation loops formed in the B2-FeAl(Co) matrix. B2-FeAl(Co) matrix is typically hardened by the precipitation of α-Fe.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chitta, L. P.; Peter, H.; Solanki, S. K.

How and where are coronal loops rooted in the solar lower atmosphere? The details of the magnetic environment and its evolution at the footpoints of coronal loops are crucial to understanding the processes of mass and energy supply to the solar corona. To address the above question, we use high-resolution line-of-sight magnetic field data from the Imaging Magnetograph eXperiment instrument on the Sunrise balloon-borne observatory and coronal observations from the Atmospheric Imaging Assembly onboard the Solar Dynamics Observatory of an emerging active region. We find that the coronal loops are often rooted at the locations with minor small-scale but persistentmore » opposite-polarity magnetic elements very close to the larger dominant polarity. These opposite-polarity small-scale elements continually interact with the dominant polarity underlying the coronal loop through flux cancellation. At these locations we detect small inverse Y-shaped jets in chromospheric Ca ii H images obtained from the Sunrise Filter Imager during the flux cancellation. Our results indicate that magnetic flux cancellation and reconnection at the base of coronal loops due to mixed polarity fields might be a crucial feature for the supply of mass and energy into the corona.« less

Probing a 2-aminobenzimidazole library for binding to RNA internal loops via two-dimensional combinatorial screening.

PubMed

Velagapudi, Sai Pradeep; Pushechnikov, Alexei; Labuda, Lucas P; French, Jonathan M; Disney, Matthew D

2012-11-16

There are many potential RNA drug targets in bacterial, viral, and human transcriptomes. However, there are few small molecules that modulate RNA function. This is due, in part, to a lack of fundamental understanding about RNA-ligand interactions including the types of small molecules that bind to RNA structural elements and the RNA structural elements that bind to small molecules. In an effort to better understand RNA-ligand interactions, we diversified the 2-aminobenzimidazole core (2AB) and probed the resulting library for binding to a library of RNA internal loops. We chose the 2AB core for these studies because it is a privileged scaffold for binding RNA based on previous reports. These studies identified that N-methyl pyrrolidine, imidazole, and propylamine diversity elements at the R1 position increase binding to internal loops; variability at the R2 position is well tolerated. The preferred RNA loop space was also determined for five ligands using a statistical approach and identified trends that lead to selective recognition.

Enhanced Life Prediction Technology for Engine Rotor Life Extension (ERLE)

DTIC Science & Technology

2008-09-01

related a0 to dislocation pileups and mode II shear cracks, and found satisfactory agreement with small-crack data from titanium aluminides . Tanaka...Symp. Gamma Titanium Aluminides , TMS, 1999, pp. 517-525. [11] K. Tanaka, Y. Nakai, and M. Yamashita, “Fatigue Growth Threshold of Small Cracks...between his formulation and a variety of experimental data. While titanium was not included in the Tanaka comparisons, Brown and Taylor [12] have

Scaling considerations for a multi-megawatt class supercritical CO2 brayton cycle and commercialization.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fleming, Darryn D.; Holschuh, Thomas Vernon,; Conboy, Thomas M.

2013-11-01

Small-scale supercritical CO2 demonstration loops are successful at identifying the important technical issues that one must face in order to scale up to larger power levels. The Sandia National Laboratories supercritical CO2 Brayton cycle test loops are identifying technical needs to scale the technology to commercial power levels such as 10 MWe. The small size of the Sandia 1 MWth loop has demonstration of the split flow loop efficiency and effectiveness of the Printed Circuit Heat Exchangers (PCHXs) leading to the design of a fully recuperated, split flow, supercritical CO2 Brayton cycle demonstration system. However, there were many problems thatmore » were encountered, such as high rotational speeds in the units. Additionally, the turbomachinery in the test loops need to identify issues concerning the bearings, seals, thermal boundaries, and motor controller problems in order to be proved a reliable power source in the 300 kWe range. Although these issues were anticipated in smaller demonstration units, commercially scaled hardware would eliminate these problems caused by high rotational speeds at small scale. The economic viability and development of the future scalable 10 MWe solely depends on the interest of DOE and private industry. The Intellectual Property collected by Sandia proves that the ~10 MWe supercritical CO2 power conversion loop to be very beneficial when coupled to a 20 MWth heat source (either solar, geothermal, fossil, or nuclear). This paper will identify a commercialization plan, as well as, a roadmap from the simple 1 MWth supercritical CO2 development loop to a power producing 10 MWe supercritical CO2 Brayton loop.« less

The effect of proximity on open-loop accommodation responses measured with pinholes.

PubMed

Morrison, K A; Seidel, D; Strang, N C; Gray, L S

2010-07-01

Open-loop accommodation levels were measured in 41 healthy, young subjects using a Shin-Nippon SRW-5000 autorefractor in the three viewing conditions: a small physical pinhole pupil (SP), an optically projected pinhole in Maxwellian view (MV) and in the dark (DF). The target viewed through the pinholes was a high-contrast letter presented at 0 D vergence in a +5 D Badal lens system. Overall, results showed that SP open-loop accommodation levels were significantly higher than MV and DF levels. Subjects could be divided into two distinct subgroups according to their response behaviour: responders to the proximal effect of the small physical pinhole (SP accommodation > MV accommodation) and non-responders to the proximal effect of the small physical pinhole (SP accommodation approximately MV accommodation). Correlation analysis demonstrated that open-loop accommodation for both pinhole conditions was correlated with DF for the responders, while for the non-responders SP and MV accommodation were correlated, but were not related to DF accommodation. This suggests that under open-loop conditions some individuals' accommodation levels are mainly affected by proximal and cognitive factors (responders) while others are guided primarily by the presence of the more distal target (non-responders). In conclusion, MV reduces the proximal effect of the physical pinhole and produces open-loop accommodation responses which are more consistent than SP and DF responses.

FINE STRUCTURES AND OVERLYING LOOPS OF CONFINED SOLAR FLARES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Shuhong; Zhang, Jun; Xiang, Yongyuan, E-mail: shuhongyang@nao.cas.cn

2014-10-01

Using the Hα observations from the New Vacuum Solar Telescope at the Fuxian Solar Observatory, we focus on the fine structures of three confined flares and the issue why all the three flares are confined instead of eruptive. All the three confined flares take place successively at the same location and have similar morphologies, so can be termed homologous confined flares. In the simultaneous images obtained by the Solar Dynamics Observatory, many large-scale coronal loops above the confined flares are clearly observed in multi-wavelengths. At the pre-flare stage, two dipoles emerge near the negative sunspot, and the dipolar patches aremore » connected by small loops appearing as arch-shaped Hα fibrils. There exists a reconnection between the small loops, and thus the Hα fibrils change their configuration. The reconnection also occurs between a set of emerging Hα fibrils and a set of pre-existing large loops, which are rooted in the negative sunspot, a nearby positive patch, and some remote positive faculae, forming a typical three-legged structure. During the flare processes, the overlying loops, some of which are tracked by activated dark materials, do not break out. These direct observations may illustrate the physical mechanism of confined flares, i.e., magnetic reconnection between the emerging loops and the pre-existing loops triggers flares and the overlying loops prevent the flares from being eruptive.« less

Defect character at grain boundary facet junctions: Analysis of an asymmetric Σ = 5 grain boundary in Fe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Medlin, D. L.; Hattar, K.; Zimmerman, J. A.

Grain boundaries often develop faceted morphologies in systems for which the interfacial free energy depends on the boundary inclination. Although the mesoscale thermodynamic basis for such morphological evolution has been extensively studied, the influence of line defects, such as secondary grain boundary dislocations, on the facet configurations has not been thoroughly explored. In this paper, through a combination of atomistic simulations and electron microscopic observations, we examine in detail the structure of an asymmetric Σ = 5 [001] grain boundary in well-annealed, body-centered cubic (BCC) Fe. The observed boundary forms with a hill-and-valley morphology composed of nanoscale {310} and {210}more » facets. Our analysis clarifies the atomic structure of the {310}/{210} facet junctions and identifies the presence of an array of secondary grain boundary dislocations that are localized to these junctions. Analysis of the Burgers vectors of the grain boundary dislocations, which are of type (1/5)<310> and (1/5)<120>, shows that the defect density is consistent with that required to accommodate a small observed angular deviation from the exact Σ = 5 orientation relationship. As a result, these observations and analysis suggest a crucial role for secondary grain boundary dislocations in dictating the length-scale of grain boundary facets, a consideration which has not been included in prior analyses of facet evolution and equilibrium facet length.« less

Defect character at grain boundary facet junctions: Analysis of an asymmetric Σ = 5 grain boundary in Fe

DOE PAGES

Medlin, D. L.; Hattar, K.; Zimmerman, J. A.; ...

2016-11-16

Grain boundaries often develop faceted morphologies in systems for which the interfacial free energy depends on the boundary inclination. Although the mesoscale thermodynamic basis for such morphological evolution has been extensively studied, the influence of line defects, such as secondary grain boundary dislocations, on the facet configurations has not been thoroughly explored. In this paper, through a combination of atomistic simulations and electron microscopic observations, we examine in detail the structure of an asymmetric Σ = 5 [001] grain boundary in well-annealed, body-centered cubic (BCC) Fe. The observed boundary forms with a hill-and-valley morphology composed of nanoscale {310} and {210}more » facets. Our analysis clarifies the atomic structure of the {310}/{210} facet junctions and identifies the presence of an array of secondary grain boundary dislocations that are localized to these junctions. Analysis of the Burgers vectors of the grain boundary dislocations, which are of type (1/5)<310> and (1/5)<120>, shows that the defect density is consistent with that required to accommodate a small observed angular deviation from the exact Σ = 5 orientation relationship. As a result, these observations and analysis suggest a crucial role for secondary grain boundary dislocations in dictating the length-scale of grain boundary facets, a consideration which has not been included in prior analyses of facet evolution and equilibrium facet length.« less

High Strain Rate Tensile Testing of Silver Nanowires: Rate-Dependent Brittle-to-Ductile Transition.

PubMed

Ramachandramoorthy, Rajaprakash; Gao, Wei; Bernal, Rodrigo; Espinosa, Horacio

2016-01-13

The characterization of nanomaterials under high strain rates is critical to understand their suitability for dynamic applications such as nanoresonators and nanoswitches. It is also of great theoretical importance to explore nanomechanics with dynamic and rate effects. Here, we report in situ scanning electron microscope (SEM) tensile testing of bicrystalline silver nanowires at strain rates up to 2/s, which is 2 orders of magnitude higher than previously reported in the literature. The experiments are enabled by a microelectromechanical system (MEMS) with fast response time. It was identified that the nanowire plastic deformation has a small activation volume (<10b(3)), suggesting dislocation nucleation as the rate controlling mechanism. Also, a remarkable brittle-to-ductile failure mode transition was observed at a threshold strain rate of 0.2/s. Transmission electron microscopy (TEM) revealed that along the nanowire, dislocation density and spatial distribution of plastic regions increase with increasing strain rate. Furthermore, molecular dynamic (MD) simulations show that deformation mechanisms such as grain boundary migration and dislocation interactions are responsible for such ductility. Finally, the MD and experimental results were interpreted using dislocation nucleation theory. The predicted yield stress values are in agreement with the experimental results for strain rates above 0.2/s when ductility is pronounced. At low strain rates, random imperfections on the nanowire surface trigger localized plasticity, leading to a brittle-like failure.

The roles of buffer layer thickness on the properties of the ZnO epitaxial films

NASA Astrophysics Data System (ADS)

Tang, Kun; Huang, Shimin; Gu, Shulin; Zhu, Shunming; Ye, Jiandong; Xu, Zhonghua; Zheng, Youdou

2016-12-01

In this article, the authors have investigated the optimization of the buffer thickness for obtaining high-quality ZnO epi-films on sapphire substrates. The growth mechanism of the buffers with different thickness has been clearly revealed, including the initial nucleation and vertical growth, the subsequent lateral growth with small grain coalescence, and the final vertical growth along the existing larger grains. Overall, the quality of the buffer improves with increasing thickness except the deformed surface morphology. However, by a full-scale evaluation of the properties for the epi-layers, the quality of the epi-film is briefly determined by the surface morphology of the buffer, rather than the structural, optical, or electrical properties of it. The best quality epi-layer has been grown on the buffer with a smooth surface and well-coalescent grains. Meanwhile, due to the huge lattice mismatch between sapphire and ZnO, dislocations are inevitably formed during the growth of buffers. More importantly, as the film grows thicker, the dislocations may attracting other smaller dislocations and defects to reduce the total line energy and thus result in the formation of V-shape defects, which are connected with the bottom of the threading dislocations in the buffers. The V-defects appear as deep and large hexagonal pits from top view and they may act as electron traps which would affect the free carrier concentration of the epi-layers.

Recombination activity of nickel, copper, and oxygen atoms segregating at grain boundaries in mono-like silicon crystals

NASA Astrophysics Data System (ADS)

Ohno, Yutaka; Kutsukake, Kentaro; Deura, Momoko; Yonenaga, Ichiro; Shimizu, Yasuo; Ebisawa, Naoki; Inoue, Koji; Nagai, Yasuyoshi; Yoshida, Hideto; Takeda, Seiji

2016-10-01

Three-dimensional distribution of impurity atoms was determined at functional Σ5{013} and small-angle grain boundaries (GBs) in as-grown mono-like silicon crystals by atom probe tomography combined with transmission electron microscopy, and it was correlated with the recombination activity of those GBs, CGB, revealed by photoluminescence imaging. Nickel (Ni), copper (Cu), and oxygen atoms preferentially segregated at the GBs on which arrays of dislocations existed, while those atoms scarcely segregated at Σ5{013} GBs free from dislocations. Silicides containing Ni and Cu about 5 nm in size and oxides about 1 nm in size were formed along the dislocation arrays on those GBs. The number of segregating impurity atoms per unit GB area for Ni and that for Cu, NNi and NCu, were in a trade-off correlation with that for oxygen, NO, as a function of CGB, while the sum of those numbers was almost constant irrespective of the GB character, CGB, and the dislocation density on GBs. CGB would be explained as a linear combination of those numbers: CGB (in %) ˜400(0.38NO + NNi + NCu) (in atoms/nm2). The GB segregation of oxygen atoms would be better for solar cells, rather than that of metal impurities, from a viewpoint of the conversion efficiency of solar cells.

Ion beam synthesis of ZrC{sub x}O{sub y} nanoparticles in cubic zirconia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velişa, Gihan, E-mail: gihan@tandem.nipne.ro; Horia Hulubei National Institute for Physics and Nuclear Engineering, P.O.B. MG-6, 077125 Magurele; Mylonas, Stamatis

2016-04-28

{110}-oriented yttria-stabilized zirconia single crystals have been implanted with low-energy C ions in an axial direction, at room temperature and at 550 °C. Room temperature ion implantation generated a damage layer that contains the expected dislocation loop clusters. Strikingly, the high temperature implantation produced zirconium oxycarbide nanoparticles (ZrC{sub x}O{sub y}) at a shallow depth in the yttria-stabilized cubic zirconia crystal, with a diameter in the range of 4–10 nm. Moreover, in the high concentration region of implanted C ions, between 100 and 150 nm below the surface, a number of large precipitates, up to 20 nm, were observed.

In situ observation of defect annihilation in Kr ion-irradiated bulk Fe/amorphous-Fe 2 Zr nanocomposite alloy

DOE PAGES

Yu, K. Y.; Fan, Z.; Chen, Y.; ...

2014-08-26

Enhanced irradiation tolerance in crystalline multilayers has received significant attention lately. However, little is known on the irradiation response of crystal/amorphous nanolayers. We report on in situ Kr ion irradiation studies of a bulk Fe 96Zr 4 nanocomposite alloy. Irradiation resulted in amorphization of Fe 2Zr and formed crystal/amorphous nanolayers. α-Fe layers exhibited drastically lower defect density and size than those in large α-Fe grains. In situ video revealed that mobile dislocation loops in α-Fe layers were confined by the crystal/amorphous interfaces and kept migrating to annihilate other defects. This study provides new insights on the design of irradiation-tolerant crystal/amorphousmore » nanocomposites.« less

Implicit integration methods for dislocation dynamics

DOE PAGES

Gardner, D. J.; Woodward, C. S.; Reynolds, D. R.; ...

2015-01-20

In dislocation dynamics simulations, strain hardening simulations require integrating stiff systems of ordinary differential equations in time with expensive force calculations, discontinuous topological events, and rapidly changing problem size. Current solvers in use often result in small time steps and long simulation times. Faster solvers may help dislocation dynamics simulations accumulate plastic strains at strain rates comparable to experimental observations. Here, this paper investigates the viability of high order implicit time integrators and robust nonlinear solvers to reduce simulation run times while maintaining the accuracy of the computed solution. In particular, implicit Runge-Kutta time integrators are explored as a waymore » of providing greater accuracy over a larger time step than is typically done with the standard second-order trapezoidal method. In addition, both accelerated fixed point and Newton's method are investigated to provide fast and effective solves for the nonlinear systems that must be resolved within each time step. Results show that integrators of third order are the most effective, while accelerated fixed point and Newton's method both improve solver performance over the standard fixed point method used for the solution of the nonlinear systems.« less

Molecular dynamics modeling and simulation of void growth in two dimensions

NASA Astrophysics Data System (ADS)

Chang, H.-J.; Segurado, J.; Rodríguez de la Fuente, O.; Pabón, B. M.; LLorca, J.

2013-10-01

The mechanisms of growth of a circular void by plastic deformation were studied by means of molecular dynamics in two dimensions (2D). While previous molecular dynamics (MD) simulations in three dimensions (3D) have been limited to small voids (up to ≈10 nm in radius), this strategy allows us to study the behavior of voids of up to 100 nm in radius. MD simulations showed that plastic deformation was triggered by the nucleation of dislocations at the atomic steps of the void surface in the whole range of void sizes studied. The yield stress, defined as stress necessary to nucleate stable dislocations, decreased with temperature, but the void growth rate was not very sensitive to this parameter. Simulations under uniaxial tension, uniaxial deformation and biaxial deformation showed that the void growth rate increased very rapidly with multiaxiality but it did not depend on the initial void radius. These results were compared with previous 3D MD and 2D dislocation dynamics simulations to establish a map of mechanisms and size effects for plastic void growth in crystalline solids.

Dislocation dynamics modelling of the ductile-brittle-transition

NASA Astrophysics Data System (ADS)

Hennecke, Thomas; Hähner, Peter

2009-07-01

Many materials like silicon, tungsten or ferritic steels show a transition between high temperature ductile fracture with stable crack grow and high deformation energy absorption and low temperature brittle fracture in an unstable and low deformation mode, the ductile-brittle-transition. Especially in steels, the temperature transition is accompanied by a strong increase of the measured fracture toughness over a certain temperature range and strong scatter in the toughness data in this transition regime. The change in fracture modes is affected by dynamic interactions between dislocations and the inhomogeneous stress fields of notches and small cracks. In the present work a dislocation dynamics model for the ductile-brittle-transition is proposed, which takes those interactions into account. The model can explain an increase with temperature of apparent toughness in the quasi-brittle regime and different levels of scatter in the different temperature regimes. Furthermore it can predict changing failure sites in materials with heterogeneous microstructure. Based on the model, the effects of crack tip blunting, stress state, external strain rate and irradiation-induced changes in the plastic flow properties can be discussed.

Static Recovery Modeling of Dislocation Density in a Cold Rolled Clad Aluminum Alloy

NASA Astrophysics Data System (ADS)

Penlington, Alex

Clad alloys feature one or more different alloys bonded to the outside of a core alloy, with non-equilibrium, interalloy interfaces. There is limited understanding of the recovery and recrystallization behaviour of cold rolled clad aluminum alloys. In order to optimize the properties of such alloys, new heat treatment processes may be required that differ from what is used for the monolithic alloys. This study examines the recovery behaviour of a cold rolled Novelis Fusion(TM) alloy containing an AA6XXX core with an AA3003 cladding on one side. The bond between alloys appears microscopically discrete and continuous, but has a 30 microm wide chemical gradient. The as-deformed structure at the interalloy region consists of pancaked sub-grains with dislocations at the misorientation boundaries and a lower density organized within the more open interiors. X-ray line broadening was used to extract the dislocation density from the interalloy region and an equivalently deformed AA6XXX following static annealing using a modified Williamson-Hall analysis. This analysis assumed that Gaussian broadening contributions in a pseudo-Voigt function corresponded only to strain from dislocations. The kinetics of the dislocation density evolution to recrystallization were studied isothermally at 2 minute intervals, and isochronally at 175 and 205°C. The data fit the Nes model, in which the interalloy region recovered faster than AA6XXX at 175°C, but was slower at 205°C. This was most likely caused by change in texture and chemistry within this region such as over-aging of AA6XXX . Simulation of a continuous annealing and self homogenization process both with and without pre-recovery indicates a detectable, though small change in the texture and grain size in the interalloy region.

Stability analysis and compensation of a boost regulator with two-loop control

NASA Technical Reports Server (NTRS)

Wester, G. W.

1974-01-01

A useful stability measure has been demonstrated by Wester (1973) for switching regulators with a single feedback loop by applying the Nyquist criterion to the approximate loop gain determined by a time-averaging technique. This approach is extended and applied to the characterization, stability analysis, and compensation design of a switching regulator with two-loop control. The role and relative significance of each control loop is clarified on the basis of a description of circuit operation, and the major and minor loops are identified. In view of the inapplicability of linear feedback theory, describing functions of the feedback loops and power stage are derived, using small-signal analysis. Several phenomena revealed from an analysis of the major loop gain are discussed.

Shock-produced olivine glass: First observation

USGS Publications Warehouse

Jeanloz, R.; Ahrens, T.J.; Lally, J.S.; Nord, G.L.; Christie, J.M.; Heuer, A.H.

1977-01-01

Transmission electron microscope (TEM) observations of an experimentally shock-deformed single crystal of natural peridot, (Mg0.88Fe 0.12SiO4 recovered from peak pressures of about 56 ?? 109 pascals revealed the presence of amorphous zones located within crystalline regions with a high density of tangled dislocations. This is the first reported observation ofolivine glass. The shocked sample exhibits a wide variation in the degree of shock deformation on a small scale, and the glass appears to be intimately associated with the highest density of dislocations. This study suggests that olivine glass may be formed as a result of shock at pressures above about 50 to 55 ?? 109 pascals and that further TEM observations of naturally shocked olivines may demonstrate the presence of glass.

The treatment of an osteochondral shearing fracture-dislocation of the head of the proximal phalanx: a case report.

PubMed

Harness, Neil; Jupiter, Jesse B

2004-09-01

We report the morphology and treatment of a proximal interphalangeal joint dislocation resulting in an injury to the articular surface of the proximal phalanx and avulsion of the radial collateral ligament from its proximal origin. A large osteochondral fragment was sheared from the radial articular surface of the proximal phalanx and remained displaced volarly after reduction of the joint. Plain radiographs and 2- and 3-dimensional computed tomography images were used to evaluate this unusual injury before surgery. Open reduction and internal fixation using a small K-wire and figure-of-eight wire technique restored the articular surface of the head of the proximal phalanx and gave a satisfactory functional result.

In-situ neutron diffraction study on the tension-compression fatigue behavior of a twinning induced plasticity steel

DOE PAGES

Xie, Qingge; Liang, Jiangtao; Stoica, Alexandru Dan; ...

2017-05-17

Grain orientation dependent behavior during tension-compression type of fatigue loading in a TWIP steel was studied using in-situ neutron diffraction. Orientation zones with dominant behavior of (1) twinning-de-twinning, (2) twinning-re-twinning followed by twinning-de-twinning, (3) twinning followed by dislocation slip and (4) dislocation slip were identified. Jumps of the orientation density were evidenced in neutron diffraction peaks which explains the macroscopic asymmetric behavior. The asymmetric behavior in early stage of fatigue loading is mainly due to small volume fraction of twins in comparison with that at later stage. As a result, easy activation of the de-twin makes the macroscopically unloading behaviormore » nonlinear.« less

In-situ neutron diffraction study on the tension-compression fatigue behavior of a twinning induced plasticity steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie, Qingge; Liang, Jiangtao; Stoica, Alexandru Dan

Grain orientation dependent behavior during tension-compression type of fatigue loading in a TWIP steel was studied using in-situ neutron diffraction. Orientation zones with dominant behavior of (1) twinning-de-twinning, (2) twinning-re-twinning followed by twinning-de-twinning, (3) twinning followed by dislocation slip and (4) dislocation slip were identified. Jumps of the orientation density were evidenced in neutron diffraction peaks which explains the macroscopic asymmetric behavior. The asymmetric behavior in early stage of fatigue loading is mainly due to small volume fraction of twins in comparison with that at later stage. As a result, easy activation of the de-twin makes the macroscopically unloading behaviormore » nonlinear.« less

Study of the radiation damage effect on Titanium metastable beta alloy by high intensity proton beam

DOE PAGES

Ishida, Taku; Wakai, E.; Hagiwara, M.; ...

2018-04-26

Here, a foil of a metastable β Titanium alloy Ti-15V-3Cr-3Sn-3Al was irradiated at the J-PARC neutrino experimental facility with 1.4 × 10 20 30 GeV protons at low temperature (100–130°C at most), and microstructural characterization and hardness testing were conducted as an initial study on the radiation damage effects of Titanium alloy by the high energy proton beam exposure. Expected radiation damage at the beam center is about 0.06–0.12 displacement per atom. A high density (> 10 23 m –3) of a nanometer-sized precipitate was observed by TEM studies, which would be identified as martensite α-phase and athermal ω-phase formedmore » during the solution-treatment process to fabricate metastable β alloy. They did not appear to change substantially after irradiation with protons. In the irradiated specimen, we could not identify an obvious signature of radiation damage distributed along the proton beam profile. Very small, nanometer-scale black dots were present at a low density in the most highly irradiated region, and may be small dislocation loops formed during irradiation. The micro-indentation test indicated that the radiation exposure led to tiny increase in Vickers micro-hardness of ΔH V= 20 at beam center. Atom probe tomography reveals compositional fluctuations that reach a maximum amplitude of 10 at% Ti within a space of < 5 nm both before and after irradiation, which may also indicate presence of rich precipitates. These experimental results suggest this specific β alloy may exhibit radiation damage resistance due to the existence of a high density of nano-scale precipitates, but further studies with higher exposure are required to explore this possibility.« less

Study of the radiation damage effect on Titanium metastable beta alloy by high intensity proton beam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ishida, Taku; Wakai, E.; Hagiwara, M.

Here, a foil of a metastable β Titanium alloy Ti-15V-3Cr-3Sn-3Al was irradiated at the J-PARC neutrino experimental facility with 1.4 × 10 20 30 GeV protons at low temperature (100–130°C at most), and microstructural characterization and hardness testing were conducted as an initial study on the radiation damage effects of Titanium alloy by the high energy proton beam exposure. Expected radiation damage at the beam center is about 0.06–0.12 displacement per atom. A high density (> 10 23 m –3) of a nanometer-sized precipitate was observed by TEM studies, which would be identified as martensite α-phase and athermal ω-phase formedmore » during the solution-treatment process to fabricate metastable β alloy. They did not appear to change substantially after irradiation with protons. In the irradiated specimen, we could not identify an obvious signature of radiation damage distributed along the proton beam profile. Very small, nanometer-scale black dots were present at a low density in the most highly irradiated region, and may be small dislocation loops formed during irradiation. The micro-indentation test indicated that the radiation exposure led to tiny increase in Vickers micro-hardness of ΔH V= 20 at beam center. Atom probe tomography reveals compositional fluctuations that reach a maximum amplitude of 10 at% Ti within a space of < 5 nm both before and after irradiation, which may also indicate presence of rich precipitates. These experimental results suggest this specific β alloy may exhibit radiation damage resistance due to the existence of a high density of nano-scale precipitates, but further studies with higher exposure are required to explore this possibility.« less

Tunable, Electrically Small, Inductively Coupled Antenna for Transportable Ionospheric Heating

NASA Astrophysics Data System (ADS)

Esser, Benedikt; Mauch, Daniel; Dickens, James; Mankowski, John; Neuber, Andreas

2018-04-01

An electrically small antenna is evaluated for use as the principle radiating element in a mobile ionospheric heating array. Consisting of a small loop antenna inductively coupled to a capacitively loaded loop, the electrically small antenna provides high efficiency with the capability of being tuned within the range of ionospheric heating. At a factor 60 smaller in area than a High-Frequency Active Auroral Research Program element, this antenna provides a compact, efficient radiating element for mobile ionospheric heating. A prototype antenna at 10 MHz was built to study large-scale feasibility and possible use with photoconductive semiconductor switch-based drivers. Based on the experimental study, the design has been extrapolated to a small 6 × 4 array of antennas. At a total power input of 16.1 MW this array is predicted to provide 3.6-GW effective radiated power typically required for ionospheric heating. Array cross talk is addressed, including effects upon individual antenna port parameters. Tuning within the range of ionospheric heating, 3-10 MHz, is made possible without the use of lossy dielectrics through a large capacitive area suited to tune the antenna. Considerations for high power operation across the band are provided including a method of driving the antenna with a simple switcher requiring no radio frequency cabling. Source matching may be improved via adjustment of the coupling between small loop antenna and capacitively loaded loop improving |S11| from -1 to -21 dB at 3 MHz.

Mass and energy supply of a cool coronal loop near its apex

NASA Astrophysics Data System (ADS)

Yan, Limei; Peter, Hardi; He, Jiansen; Xia, Lidong; Wang, Linghua

2018-03-01

Context. Different models for the heating of solar corona assume or predict different locations of the energy input: concentrated at the footpoints, at the apex, or uniformly distributed. The brightening of a loop could be due to the increase in electron density ne, the temperature T, or a mixture of both. Aim. We investigate possible reasons for the brightening of a cool loop at transition region temperatures through imaging and spectral observation. Methods: We observed a loop with the Interface Region Imaging Spectrograph (IRIS) and used the slit-jaw images together with spectra taken at a fixed slit position to study the evolution of plasma properties in and below the loop. We used spectra of Si IV, which forms at around 80 000 K in equilibrium, to identify plasma motions and derive electron densities from the ratio of inter-combination lines of O IV. Additional observations from the Solar Dynamics Observatory (SDO) were employed to study the response at coronal temperatures (Atmospheric Imaging Assembly, AIA) and to investigate the surface magnetic field below the loop (Helioseismic and Magnetic Imager, HMI). Results: The loop first appears at transition region temperatures and later also at coronal temperatures, indicating a heating of the plasma in the loop. The appearance of hot plasma in the loop coincides with a possible accelerating upflow seen in Si IV, with the Doppler velocity shifting continuously from -70 km s-1 to -265 km s-1. The 3D magnetic field lines extrapolated from the HMI magnetogram indicate possible magnetic reconnection between small-scale magnetic flux tubes below or near the loop apex. At the same time, an additional intensity enhancement near the loop apex is visible in the IRIS slit-jaw images at 1400 Å. These observations suggest that the loop is probably heated by the interaction between the loop and the upflows, which are accelerated by the magnetic reconnection between small-scale magnetic flux tubes at lower altitudes. Before and after the possible heating phase, the intensity changes in the optically thin (Si IV) and optical thick line (C II) are mainly contributed by the density variation without significant heating. Conclusions: We therefore provide evidence for the heating of an envelope loop that is affected by accelerating upflows, which are probably launched by magnetic reconnection between small-scale magnetic flux tubes underneath the envelope loop. This study emphasizes that in the complex upper atmosphere of the Sun, the dynamics of the 3D coupled magnetic field and flow field plays a key role in thermalizing 1D structures such as coronal loops. An animation associated to Fig. 1 is available at http://https://www.aanda.org

The cellular RNA-binding protein EAP recognizes a conserved stem-loop in the Epstein-Barr virus small RNA EBER 1.

PubMed Central

Toczyski, D P; Steitz, J A

1993-01-01

EAP (EBER-associated protein) is an abundant, 15-kDa cellular RNA-binding protein which associates with certain herpesvirus small RNAs. We have raised polyclonal anti-EAP antibodies against a glutathione S-transferase-EAP fusion protein. Analysis of the RNA precipitated by these antibodies from Epstein-Barr virus (EBV)- or herpesvirus papio (HVP)-infected cells shows that > 95% of EBER 1 (EBV-encoded RNA 1) and the majority of HVP 1 (an HVP small RNA homologous to EBER 1) are associated with EAP. RNase protection experiments performed on native EBER 1 particles with affinity-purified anti-EAP antibodies demonstrate that EAP binds a stem-loop structure (stem-loop 3) of EBER 1. Since bacterially expressed glutathione S-transferase-EAP fusion protein binds EBER 1, we conclude that EAP binding is independent of any other cellular or viral protein. Detailed mutational analyses of stem-loop 3 suggest that EAP recognizes the majority of the nucleotides in this hairpin, interacting with both single-stranded and double-stranded regions in a sequence-specific manner. Binding studies utilizing EBER 1 deletion mutants suggest that there may also be a second, weaker EAP-binding site on stem-loop 4 of EBER 1. These data and the fact that stem-loop 3 represents the most highly conserved region between EBER 1 and HVP 1 suggest that EAP binding is a critical aspect of EBER 1 and HVP 1 function. Images PMID:8380232

Equilibrium models of coronal loops that involve curvature and buoyancy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hindman, Bradley W.; Jain, Rekha, E-mail: hindman@solarz.colorado.edu

2013-12-01

We construct magnetostatic models of coronal loops in which the thermodynamics of the loop is fully consistent with the shape and geometry of the loop. This is achieved by treating the loop as a thin, compact, magnetic fibril that is a small departure from a force-free state. The density along the loop is related to the loop's curvature by requiring that the Lorentz force arising from this deviation is balanced by buoyancy. This equilibrium, coupled with hydrostatic balance and the ideal gas law, then connects the temperature of the loop with the curvature of the loop without resorting to amore » detailed treatment of heating and cooling. We present two example solutions: one with a spatially invariant magnetic Bond number (the dimensionless ratio of buoyancy to Lorentz forces) and the other with a constant radius of the curvature of the loop's axis. We find that the density and temperature profiles are quite sensitive to curvature variations along the loop, even for loops with similar aspect ratios.« less

Probing a 2-Aminobenzimidazole Library for Binding to RNA Internal Loops via Two-Dimensional Combinatorial Screening

PubMed Central

Velegapudi, Sai Pradeep; Pushechnikov, Alexei; Labuda, Lucas P.; French, Jonathan M.; Disney, Matthew D.

2012-01-01

There are many potential RNA drug targets in bacterial, viral, and the human transcriptomes. However, there are few small molecules that modulate RNA function. This is due, in part, to a lack of fundamental understanding about RNA-ligand interactions including the types of small molecules that bind to RNA structural elements and the RNA structural elements that bind to small molecules. In an effort to better understand RNA-ligand interactions, we diversified the 2-aminobenzimidazole core (2AB) and probed the resulting library for binding to a library of RNA internal loops. We chose the 2AB core for these studies because it is a privileged scaffold for binding RNA based on previous reports. These studies identified that N-methyl pyrrolidine, imidazole, and propylamine diversity elements at the R1 position increase binding to internal loops; variability at the R2 position is well tolerated. The preferred RNA loop space was also determined for five ligands using a statistical approach and identified trends that lead to selective recognition. PMID:22958065

Gluon and Wilson loop TMDs for hadrons of spin ≤ 1

NASA Astrophysics Data System (ADS)

Boer, Daniël; Cotogno, Sabrina; van Daal, Tom; Mulders, Piet J.; Signori, Andrea; Zhou, Ya-Jin

2016-10-01

In this paper we consider the parametrizations of gluon transverse momentum dependent (TMD) correlators in terms of TMD parton distribution functions (PDFs). These functions, referred to as TMDs, are defined as the Fourier transforms of hadronic matrix elements of nonlocal combinations of gluon fields. The nonlocality is bridged by gauge links, which have characteristic paths (future or past pointing), giving rise to a process dependence that breaks universality. For gluons, the specific correlator with one future and one past pointing gauge link is, in the limit of small x, related to a correlator of a single Wilson loop. We present the parametrization of Wilson loop correlators in terms of Wilson loop TMDs and discuss the relation between these functions and the small- x `dipole' gluon TMDs. This analysis shows which gluon TMDs are leading or suppressed in the small- x limit. We discuss hadronic targets that are unpolarized, vector polarized (relevant for spin-1 /2 and spin-1 hadrons), and tensor polarized (relevant for spin-1 hadrons). The latter are of interest for studies with a future Electron-Ion Collider with polarized deuterons.

Strain localization in ultramylonitic calcite marbles by dislocation creep-accommodated grain boundary sliding

NASA Astrophysics Data System (ADS)

Rogowitz, Anna; Grasemann, Bernhard; Clancy White, Joseph

2015-04-01

Strain localization in monomineralic rocks is often associated with brittle precursors, resulting in stress and strain concentration, followed by grain size reduction and activation of grain-size-sensitive deformation mechanisms such as diffusion creep, grain boundary sliding and cataclastic flow. The aforementioned mechanisms typically tend to produce a random crystallographic orientation or a decrease in intensity of a pre-existing texture. However, reports of fine grained polycrystalline materials showing a preferred crystallographic orientation indicate a need for subsequent grain re-organization by either static annealing or the activation of additional deformation mechanisms in conjunction with grain boundary sliding. We present observations from an almost pure calcite marble layer from Syros Island (Cyclades, Greece) deformed in lower greenschist facies conditions. The presence of a crack (i.e. cross-cutting element) that rotated during shear resulted in the formation of a flanking structure. At the location of maximum displacement (120 cm) along the cross-cutting element, the marble is extremely fine grained (3 µm) leading to anticipation of deformation by grain-size-sensitive mechanisms. Detailed microstructural analysis of the highly strained (80 < gamma < 1000) calcite ultramylonite by optical microscopy, electron backscatter diffraction and scanning transmission electron microscopy show that recrystallization by bulging results in small, strain-free grains. The change in grain size appears to be concomitant with increased activity of independent grain boundary sliding as indicated by a random misorientation angle distribution. At the same time, dislocation multiplication through Frank-Read sources produces high mean dislocation density (~ 5x10^13 m^-2) as well as a weak primary CPO; the latter all argue that grain boundary sliding was accommodated by dislocation activity. Theoretical and experimental determined relationships (paleowattmeter, paleopiezometer, dislocation density) have been used to estimate the flow stress conditions. All of the applied relationships indicate differential stresses in a range between 80 and 200 MPa. Plotted in a deformation mechanism map for calcite, the data show that the ultramylonite was deformed at maximum strain rates of 10^-9 s^-1. Our study shows that the switch from dominantly dislocation creep to grain boundary sliding accommodated by dislocation activity corresponds to strain softening and can be an important strain localization process in calcite rocks, even at high strain rate (10^-9 s^-1) and low temperature (300 °C).

MRI findings associated with luxatio erecta humeri.

PubMed

Krug, David K; Vinson, Emily N; Helms, Clyde A

2010-01-01

Luxatio erecta humeri is a rare type of inferior glenohumeral dislocation with a unique radiographic appearance; however, the magnetic resonance imaging findings associated with this dislocation have not been described in the radiology literature. The purpose of this study is to identify magnetic resonance imaging findings associated with this uncommon type of glenohumeral dislocation. The magnetic resonance imaging features of four patients with clinical and radiographic evidence of luxatio erecta humeri were reviewed retrospectively by two musculoskeletal-trained radiologists. The reported mechanism of injury in all four patients was falling. The MR imaging examinations were evaluated for the presence of rotator cuff and biceps tendon pathology, glenoid labrum pathology, joint capsule and glenohumeral ligament injury, fractures and bone marrow contusions, articular cartilage injury, and joint effusions. All four patients demonstrated pathology of the glenohumeral joint. Three of the four patients demonstrated rotator cuff tears, including large full thickness tears of the supraspinatus and infraspinatus tendons in two patients, and small full thickness tear of the supraspinatus tendon with partial thickness tear of the infraspinatus tendon in the third patient. In the two patients with large full thickness tears of the supraspinatus and infraspinatus tendons, one patient demonstrated tearing of the subscapularis tendon with dislocation of a partially torn long head of the biceps tendon, and the second patient demonstrated full thickness tearing of the intra-articular biceps tendon. All four patients demonstrated injuries to the glenoid labrum and both anterior and posterior bands of the inferior glenohumeral ligament. Contusions or fractures of the humeral head were seen in two of the patients. Three of the four patients demonstrated cartilage abnormalities including a focal cartilage defect in the anterior inferior glenoid in one patient, and cartilage surface irregularity of the glenoid in the other two patients. Common magnetic resonance imaging findings in patients with a prior luxatio erecta humeri dislocation include rotator cuff tears, injury to the glenoid labrum, and injury to both the anterior and posterior bands of the inferior glenohumeral ligament. These findings are compatible with the mechanism of dislocation in luxatio erecta, and noting these findings on magnetic resonance imaging may suggest that the patient has sustained a prior inferiorly directed glenohumeral dislocation such as luxatio erecta.

Influence of dislocations and second phases on the magnetostrictive behavior of iron-gallium and other iron alloy single crystals

NASA Astrophysics Data System (ADS)

Saha, Biswadeep

Rare-earth-free Fe-Ga magnetostrictive alloys exhibit an excellent combination of large low-field magnetostriction, strength, ductility, wide operating temperature range, and low cost. Various observations in these and other alpha-Fe-based magnetostrictive alloys suggest that lattice strain modulations that are influenced by solute elements, near neighbor atomic environments around Fe atoms, coherent and incoherent precipitates, and structural defects such as dislocations likely play an important role in their magnetostrictive behavior. In the first part, the effect of dislocations on the magnetostriction of Fe-Ga single crystals was examined. The [001]- and [126]-oriented Fe-20 at.% Ga single crystal samples were deformed in a controlled way to introduce dislocation arrays with two different array geometries. Magnetostriction values showed a much lower decrease after deformation for the case of a [001]-oriented crystal, where eight different slip systems were operative and consequently eight different sets of dislocation arrays are expected. A drastic drop in magnetostriction measured along the sample axis is observed in the sample subjected to a small strain by deformation of a [126]-oriented crystal during which slip occurred on only one slip system. The nature of strain modulation introduced in this case was spatially asymmetric. The [126] deformation was accompanied by an acoustic emission during the formation of slip band. Transmission electron microscopy was carried out to examine the nature of dislocation distribution. The results show that the nature of strain modulation introduced by the dislocation arrays has a strong influence on the magnetostrictive behavior of magnetostrictive alloys. In the second part of this research, the effect of Mo addition to Fe was examined in detail. Addition of Mo to Fe increased the magnetostriction (3/2)lambda100 Fe very rapidly to 137 ppm at 10 at.% Mo, the highest value observed in these alloys. Further Mo additions decreased the magnetostriction. Magnetization data show a drastic drop in magnetization to 63 emu/gm for Fe-20 at.% Mo from 176 emu/gm for Fe-10 at.% Mo suggesting the formation large amounts of nonmagnetic second phase and reduction in total Fe content of the alloy. The drop in magnetostriction at higher Mo contents is associated with the formation of a second phase.

Rare small intestinal volvulus from entrapment in hepato-diaphragmatic adhesions in a 45-year-old lady.

PubMed

Olaoye, Iyiade Olatunde; Adesina, Micheal Dapo

2016-12-20

Small intestinal volvulus is rare in adults and rarely caused by string adhesions between the liver and the diaphragm. Similar adhesions were described in Fitz-Hugh-Curtis syndrome. We report a 45-year-old lady with small intestinal volvulus from entrapment of a loop in string adhesions between the liver and the diaphragm. Her plain radiographs showed a significant shadow of the trapped loop. Published by Oxford University Press and JSCR Publishing Ltd. All rights reserved. © The Author 2016.

Multiscale modeling of dislocation-precipitate interactions in Fe: From molecular dynamics to discrete dislocations.

PubMed

Lehtinen, Arttu; Granberg, Fredric; Laurson, Lasse; Nordlund, Kai; Alava, Mikko J

2016-01-01

The stress-driven motion of dislocations in crystalline solids, and thus the ensuing plastic deformation process, is greatly influenced by the presence or absence of various pointlike defects such as precipitates or solute atoms. These defects act as obstacles for dislocation motion and hence affect the mechanical properties of the material. Here we combine molecular dynamics studies with three-dimensional discrete dislocation dynamics simulations in order to model the interaction between different kinds of precipitates and a 1/2〈111〉{110} edge dislocation in BCC iron. We have implemented immobile spherical precipitates into the ParaDis discrete dislocation dynamics code, with the dislocations interacting with the precipitates via a Gaussian potential, generating a normal force acting on the dislocation segments. The parameters used in the discrete dislocation dynamics simulations for the precipitate potential, the dislocation mobility, shear modulus, and dislocation core energy are obtained from molecular dynamics simulations. We compare the critical stresses needed to unpin the dislocation from the precipitate in molecular dynamics and discrete dislocation dynamics simulations in order to fit the two methods together and discuss the variety of the relevant pinning and depinning mechanisms.

A continuum theory of edge dislocations

NASA Astrophysics Data System (ADS)

Berdichevsky, V. L.

2017-09-01

Continuum theory of dislocation aims to describe the behavior of large ensembles of dislocations. This task is far from completion, and, most likely, does not have a "universal solution", which is applicable to any dislocation ensemble. In this regards it is important to have guiding lines set by benchmark cases, where the transition from a discrete set of dislocations to a continuum description is made rigorously. Two such cases have been considered recently: equilibrium of dislocation walls and screw dislocations in beams. In this paper one more case is studied, equilibrium of a large set of 2D edge dislocations placed randomly in a 2D bounded region. The major characteristic of interest is energy of dislocation ensemble, because it determines the structure of continuum equations. The homogenized energy functional is obtained for the periodic dislocation ensembles with a random contents of the periodic cell. Parameters of the periodic structure can change slowly on distances of order of the size of periodic cells. The energy functional is obtained by the variational-asymptotic method. Equilibrium positions are local minima of energy. It is confirmed the earlier assertion that energy density of the system is the sum of elastic energy of averaged elastic strains and microstructure energy, which is elastic energy of the neutralized dislocation system, i.e. the dislocation system placed in a constant dislocation density field making the averaged dislocation density zero. The computation of energy is reduced to solution of a variational cell problem. This problem is solved analytically. The solution is used to investigate stability of simple dislocation arrays, i.e. arrays with one dislocation in the periodic cell. The relations obtained yield two outcomes: First, there is a state parameter of the system, dislocation polarization; averaged stresses affect only dislocation polarization and cannot change other characteristics of the system. Second, the structure of dislocation phase space is strikingly simple. Dislocation phase space is split in a family of subspaces corresponding to constant values of dislocation polarizations; in each equipolarization subspace there are many local minima of energy; for zero external stresses the system is stuck in a local minimum of energy; for non-zero slowly changing external stress, dislocation polarization evolves, while the system moves over local energy minima of equipolarization subspaces. Such a simple picture of dislocation dynamics is due to the presence of two time scales, slow evolution of dislocation polarization and fast motion of the system over local minima of energy. The existence of two time scales is justified for a neutral system of edge dislocations.

On the small angle twist sub-grain boundaries in Ti3AlC2.

PubMed

Zhang, Hui; Zhang, Chao; Hu, Tao; Zhan, Xun; Wang, Xiaohui; Zhou, Yanchun

2016-04-01

Tilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typical MAX phase Ti3AlC2 compressed at 1200 °C, which comprise hexagonal screw dislocation networks formed by basal dislocation reactions. By first-principles investigations on atomic-scale deformation and general stacking fault energy landscapes, it is unequivocally demonstrated that the twist sub-grain boundaries are most likely located between Al and Ti4f (Ti located at the 4f Wyckoff sites of P63/mmc) layers, with breaking of the weakly bonded Al-Ti4f. The twist angle increases with the increase of deformation and is estimated to be around 0.5° for a deformation of 26%. This work may shed light on sub-grain boundaries of MAX phases, and provide fundamental information for future atomic-scale simulations.

Dislocation evolution in 316 L stainless steel during multiaxial ratchetting deformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong Yawei; Kang Guozheng, E-mail: guozhengkang@yahoo.com.cn; Liu Yujie

2012-03-15

Dislocation patterns and their evolutions in 316 L stainless steel during the multiaxial ratchetting deformation were observed by transmission electron microscopy (TEM). The microscopic observations indicate that the dislocation evolution presented during the multiaxial ratchetting with four kinds of multiaxial loading paths is similar to that in the uniaxial case [G. Z. Kang et al., Mater Sci Eng A 527 (2010) 5952]. That is, dislocation networks and dislocation tangles are formed quickly by the multiple-slip and cross-slip of dislocation activated by applied multiaxial stress; and then polarized patterns such as dislocation walls and elongated incipient dislocation cells are formed atmore » the last stage of multiaxial ratchetting. The dislocation patterns evolve more quickly from the modes at low dislocation density to the ones at high density during the multiaxial ratchetting than that in the uniaxial case, and some traces of multiple-slip are observed in the multiaxial ones. The dislocation evolution during the multiaxial ratchetting deformation is summarized by comparing the observed dislocation patterns with those presented in the multiaxial strain-controlled and symmetrical stress-controlled cyclic tests. The multiaxial ratchetting of 316 L stainless steel can be microscopically and qualitatively explained by the observed evolution of dislocation patterns. - Highlights: Black-Right-Pointing-Pointer Dislocation patterns change from lines and nets to tangles, walls and cells. Black-Right-Pointing-Pointer Dislocation patterns evolve quicker in the multiaxial case. Black-Right-Pointing-Pointer Aligned dislocation arrays and some traces of multiple slips are observed. Black-Right-Pointing-Pointer Heterogeneous dislocation patterns result in the multiaxial ratchetting.« less

Worker Dislocation. Case Studies of Causes and Cures.

ERIC Educational Resources Information Center

Cook, Robert F., Ed.

Case studies were made of the following dislocated worker programs: Cummins Engine Company Dislocated Worker Project; GM-UAW Metropolitan Pontiac Retraining and Employment Program; Minnesota Iron Range Dislocated Worker Project; Missouri Dislocated Worker Program Job Search Assistance, Inc.; Hillsborough, North Carolina, Dislocated Worker Project;…

Column-by-column observation of dislocation motion in CdTe: Dynamic scanning transmission electron microscopy

NASA Astrophysics Data System (ADS)

Li, Chen; Zhang, Yu-Yang; Pennycook, Timothy J.; Wu, Yelong; Lupini, Andrew R.; Paudel, Naba; Pantelides, Sokrates T.; Yan, Yanfa; Pennycook, Stephen J.

2016-10-01

The dynamics of partial dislocations in CdTe have been observed at the atomic scale using aberration-corrected scanning transmission electron microscopy (STEM), allowing the mobility of different dislocations to be directly compared: Cd-core Shockley partial dislocations are more mobile than Te-core partials, and dislocation cores with unpaired columns have higher mobility than those without unpaired columns. The dynamic imaging also provides insight into the process by which the dislocations glide. Dislocations with dangling bonds on unpaired columns are found to be more mobile because the dangling bonds mediate the bond exchanges required for the dislocations to move. Furthermore, a screw dislocation has been resolved to dissociate into a Shockley partial-dislocation pair along two different directions, revealing a way for the screw dislocation to glide in the material. The results show that dynamic STEM imaging has the potential to uncover the details of dislocation motion not easily accessible by other means.

Habitual dislocation of patella: A review

PubMed Central

Batra, Sumit; Arora, Sumit

2014-01-01

Habitual dislocation of patella is a condition where the patella dislocates whenever the knee is flexed and spontaneously relocates with extension of the knee. It is also termed as obligatory dislocation as the patella dislocates completely with each flexion and extension cycle of the knee and the patient has no control over the patella dislocating as he or she moves the knee1. It usually presents after the child starts to walk, and is often well tolerated in children, if it is not painful. However it may present in childhood with dysfunction and instability. Very little literature is available on habitual dislocation of patella as most of the studies have combined cases of recurrent dislocation with habitual dislocation. Many different surgical techniques have been described in the literature for the treatment of habitual dislocation of patella. No single procedure is fully effective in the surgical treatment of habitual dislocation of patella and a combination of procedures is recommended. PMID:25983506

Traumatic dislocation of the incudostapedial joint repaired with fibrin tissue adhesive.

PubMed

Nikolaidis, Vasilios

2011-03-01

We present a case of traumatic dislocation of the incudostapedial joint (ISJ) and a simple method for controlled application of the glue using commercial fibrin tissue adhesive. A 26-year-old female presented to our ENT clinic for hearing impairment to her left ear 2 months after a head trauma due to a motorcycle accident. The audiogram revealed a 40- to 50-dB HL conductive hearing loss with a notch configuration in bone conduction curve on the left ear. Computed tomography of the left temporal bone revealed a longitudinal fracture line. An exploratory tympanotomy was performed under general anesthesia. The ISJ was found dislocated while the incus was trapped by the edges of the bony lateral attic wall fracture. A small bony edge that impeded incus movement was removed and a small amount of the glue was precisely applied to the lenticular process of the incus with an angled incision knife. The long process of the incus was firmly pressed over the stapes for 30 seconds with a 90° hook and 60 seconds after the application of the glue the ISJ was repaired. One year after our patient achieved full airbone gap (ABG) closure (ABG, ≤10 dB HL), while she demonstrated overclosure in frequencies 2 and 4 kHz. Fibrin tissue glue allowed safe, rapid, and accurate repair of the ISJ and resulted in an anatomically normal articulation as the mass and shape of the ossicles was preserved. Moreover, our patient achieved full ABG closure. Copyright © 2011 The American Laryngological, Rhinological, and Otological Society, Inc.

Mechanical properties and crack growth behavior of polycrystalline copper using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Qiu, Ren-Zheng; Li, Chi-Chen; Fang, Te-Hua

2017-08-01

This study investigated the mechanical properties and crack propagation behavior of polycrystalline copper using a molecular dynamics simulation. The effects of temperature, grain size, and crack length were evaluated in terms of atomic trajectories, slip vectors, common neighbor analysis, the material’s stress-strain diagram and Young’s modulus. The simulation results show that the grain boundary of the material is more easily damaged at high temperatures and that grain boundaries will combine at the crack tip. From the stress-strain diagram, it was observed that the maximum stress increased as the temperature decreased. In contrast, the maximum stress was reduced by increasing the temperature. With regard to the effect of the grain size, when the grain size was too small, the structure of the sample deformed due to the effect of atomic interactions, which caused the grain boundary structure to be disordered in general. However, when the grain size was larger, dislocations appeared and began to move from the tip of the crack, which led to a new dislocation phenomenon. With regards to the effect of the crack length, the tip of the crack did not affect the sample’s material when the crack length was less than 5 nm. However, when the crack length was above 7.5 nm, the grain boundary was damaged, and twinning structures and dislocations appeared on both sides of the crack tip. This is because the tip of the crack was blunt at first before sharpening due to the dislocation effect.

Eeyarestatin 1 Interferes with Both Retrograde and Anterograde Intracellular Trafficking Pathways

PubMed Central

Aletrari, Mina-Olga; McKibbin, Craig; Williams, Helen; Pawar, Vidya; Pietroni, Paola; Lord, J. Michael; Flitsch, Sabine L.; Whitehead, Roger; Swanton, Eileithyia; High, Stephen; Spooner, Robert A.

2011-01-01

Background The small molecule Eeyarestatin I (ESI) inhibits the endoplasmic reticulum (ER)-cytosol dislocation and subsequent degradation of ERAD (ER associated protein degradation) substrates. Toxins such as ricin and Shiga/Shiga-like toxins (SLTx) are endocytosed and trafficked to the ER. Their catalytic subunits are thought to utilise ERAD-like mechanisms to dislocate from the ER into the cytosol, where a proportion uncouples from the ERAD process, recovers a catalytic conformation and destroys their cellular targets. We therefore investigated ESI as a potential inhibitor of toxin dislocation. Methodology and Principal Findings Using cytotoxicity measurements, we found no role for ESI as an inhibitor of toxin dislocation from the ER, but instead found that for SLTx, ESI treatment of cells was protective by reducing the rate of toxin delivery to the ER. Microscopy of the trafficking of labelled SLTx and its B chain (lacking the toxic A chain) showed a delay in its accumulation at a peri-nuclear location, confirmed to be the Golgi by examination of SLTx B chain metabolically labelled in the trans-Golgi cisternae. The drug also reduced the rate of endosomal trafficking of diphtheria toxin, which enters the cytosol from acidified endosomes, and delayed the Golgi-specific glycan modifications and eventual plasma membrane appearance of tsO45 VSV-G protein, a classical marker for anterograde trafficking. Conclusions and Significance ESI acts on one or more components that function during vesicular transport, whilst at least one retrograde trafficking pathway, that of ricin, remains unperturbed. PMID:21799938

The microstructure of laterally seeded silicon-on-oxide

NASA Astrophysics Data System (ADS)

Pinizzotto, R. F.; Lam, H. W.; Vaandrager, B. L.

1982-03-01

The production of large scale integrated circuits in thin silicon films on insulating substrates is currently of much interest in the electronics industry. One of the most promising techniques of forming this composite structure is by lateral seeding. We have used optical microscopy and transmission electron microscopy to characterize the microstructure of silicon-on-oxide formed by scanning CW laser induced lateral epitaxy. The primary defects are dislocations. Dislocation rearrangement leads to the formation of both small angle boundaries (stable, regular dislocation arrays) and grain boundaries. The grains were found to be misoriented to the <100> direction perpendicular to the film plane by ≤ 4° and to the <100> directions in the plane of the film by ≤ 2°. Internal reflection twins are a common defect. Microtwinning was found to occur at the vertical step caused by the substrate-oxide interface if the substrate to oxide step height was > 120 nm. The microstructure is continuous across successive scan lines. Microstructural defects are found to initiate at the same topographical location in different oxide pads. We propose that this is due to the meeting of two crystallization growth fronts. The liquid silicon between the fronts causes large stresses in this area because of the 9% volume increase during solidification. The defects observed in the bulk may form by a similar mechanism or by dislocation generation at substrate-oxide interface irregularities. The models predict that slower growth leads to improved material quality. This has been observed experimentally.

Effect of Variable Emittance Coatings on the Operation of a Miniature Loop Heat Pipe

NASA Technical Reports Server (NTRS)

Douglas, Donya M.; Ku, Jentung; Ottenstein, Laura; Swanson, Theodore; Hess, Steve; Darrin, Ann

2005-01-01

Abstract. As the size of spacecraft shrink to accommodate small and more efficient instruments, smaller launch vehicles, and constellation missions, all subsystems must also be made smaller. Under NASA NFL4 03-OSS-02, Space Technology-8 (ST 8), NASA Goddard Space Flight Center and Jet Propulsion Laboratory jointly conducted a Concept Definition study to develop a miniature loop heat pipe (MLHP) thermal management system design suitable for future small spacecraft. The proposed MLHP thermal management system consists of a miniature loop heat pipe (LHP) and deployable radiators that are coated with variable emittance coatings (VECs). As part of the Phase A study and proof of the design concept, variable emittance coatings were integrated with a breadboard miniature loop heat pipe. The miniature loop heat pipe was supplied by the Jet Propulsion Laboratory (PL), while the variable emittance technology were supplied by Johns Hopkins University Applied Physics Laboratory and Sensortex, Inc. The entire system was tested under vacuum at various temperature extremes and power loads. This paper summarizes the results of this testing and shows the effect of the VEC on the operation of a miniature loop heat pipe.

Atomic-scale investigation of point defects and hydrogen-solute atmospheres on the edge dislocation mobility in alpha iron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhatia, M. A.; Solanki, K. N., E-mail: kiran.solanki@asu.edu; Groh, S.

2014-08-14

In this study, we present atomistic mechanisms of 1/2 [111](11{sup ¯}0) edge dislocation interactions with point defects (hydrogen and vacancies) and hydrogen solute atmospheres in body centered cubic (bcc) iron. In metals such as iron, increases in hydrogen concentration can increase dislocation mobility and/or cleavage-type decohesion. Here, we first investigate the dislocation mobility in the presence of various point defects, i.e., change in the frictional stress as the edge dislocation interacts with (a) vacancy, (b) substitutional hydrogen, (c) one substitutional and one interstitial hydrogen, (d) interstitial hydrogen, (e) vacancy and interstitial hydrogen, and (f) two interstitial hydrogen. Second, we examinemore » the role of a hydrogen-solute atmosphere on the rate of local dislocation velocity. The edge dislocation simulation with a vacancy in the compression side of the dislocation and an interstitial hydrogen atom at the tension side exhibit the strongest mechanical response, suggesting a higher potential barrier and hence, the higher frictional stress (i.e., ∼83% higher than the pure iron Peierls stress). In the case of a dislocation interacting with a vacancy on the compressive side, the vacancy binds with the edge dislocation, resulting in an increase in the friction stress of about 28% when compared with the Peierls stress of an edge dislocation in pure iron. Furthermore, as the applied strain increases, the vacancy migrates through a dislocation transportation mechanism by attaining a velocity of the same order as the dislocation velocity. For the case of the edge dislocation interacting with interstitial hydrogen on the tension side, the hydrogen atom jumps through one layer perpendicular to the glide plane during the pinning-unpinning process. Finally, our simulation of dislocation interactions with hydrogen show first an increase in the local dislocation velocity followed by a pinning of the dislocation core in the atmosphere, resulting in resistance to dislocation motion as the dislocation moves though the hydrogen-solute atmospheres. With this systematic, atomistic study of the edge dislocation with various point defects, we show significant increase in obstacle strengths in addition to an increase in the local dislocation velocity during interaction with solute atmospheres. The results have implications for constitutive development and modeling of the hydrogen effect on dislocation mobility and deformation in metals.« less

Impact of screw and edge dislocations on the thermal conductivity of individual nanowires and bulk GaN: a molecular dynamics study.

PubMed

Termentzidis, Konstantinos; Isaiev, Mykola; Salnikova, Anastasiia; Belabbas, Imad; Lacroix, David; Kioseoglou, Joseph

2018-02-14

We report the thermal transport properties of wurtzite GaN in the presence of dislocations using molecular dynamics simulations. A variety of isolated dislocations in a nanowire configuration are analyzed and found to considerably reduce the thermal conductivity while impacting its temperature dependence in a different manner. Isolated screw dislocations reduce the thermal conductivity by a factor of two, while the influence of edge dislocations is less pronounced. The relative reduction of thermal conductivity is correlated with the strain energy of each of the five studied types of dislocations and the nature of the bonds around the dislocation core. The temperature dependence of the thermal conductivity follows a physical law described by a T -1 variation in combination with an exponent factor that depends on the material's nature, type and the structural characteristics of the dislocation core. Furthermore, the impact of the dislocation density on the thermal conductivity of bulk GaN is examined. The variation and absolute values of the total thermal conductivity as a function of the dislocation density are similar for defected systems with both screw and edge dislocations. Nevertheless, we reveal that the thermal conductivity tensors along the parallel and perpendicular directions to the dislocation lines are different. The discrepancy of the anisotropy of the thermal conductivity grows with increasing density of dislocations and it is more pronounced for the systems with edge dislocations. Besides the fundamental insights of the presented results, these could also be used for the identification of the type of dislocations when one experimentally obtains the evolution of thermal conductivity with temperature since each type of dislocation has a different signature, or one could extract the density of dislocations with a simple measurement of thermal anisotropy.

Origin of the sensitivity in modeling the glide behaviour of dislocations

DOE PAGES

Pei, Zongrui; Stocks, George Malcolm

2018-03-26

The sensitivity in predicting glide behaviour of dislocations has been a long-standing problem in the framework of the Peierls-Nabarro model. The predictions of both the model itself and the analytic formulas based on it are too sensitive to the input parameters. In order to reveal the origin of this important problem in materials science, a new empirical-parameter-free formulation is proposed in the same framework. Unlike previous formulations, it includes only a limited small set of parameters all of which can be determined by convergence tests. Under special conditions the new formulation is reduced to its classic counterpart. In the lightmore » of this formulation, new relationships between Peierls stresses and the input parameters are identified, where the sensitivity is greatly reduced or even removed.« less

Crystal defects in solar cells produced by the method of thermomigration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lozovskii, V. N.; Lomov, A. A.; Lunin, L. S.

2017-03-15

The results of studying the crystal structure of regions in silicon, recrystallized during the course of thermomigration of the liquid Si–Al zone in the volume of the silicon substrate, are reported (similar regions doped with an acceptor impurity are used to obtain high-voltage solar cells). X-ray methods (including measurements of both diffraction-reflection curves and topograms) and also high-resolution electron microscopy indicate that single-crystal regions in the form of a series of thin strips or rectangular grids are formed as a result of the thermomigration of liquid zones. Dislocation half-loops are detected in the surface layers of the front and backmore » surfaces of the substrate. (311)-type defects are observed in the recrystallized regions.« less

Topological protection of multiparticle dissipative transport

NASA Astrophysics Data System (ADS)

Loehr, Johannes; Loenne, Michael; Ernst, Adrian; de Las Heras, Daniel; Fischer, Thomas M.

2016-06-01

Topological protection allows robust transport of localized phenomena such as quantum information, solitons and dislocations. The transport can be either dissipative or non-dissipative. Here, we experimentally demonstrate and theoretically explain the topologically protected dissipative motion of colloidal particles above a periodic hexagonal magnetic pattern. By driving the system with periodic modulation loops of an external and spatially homogeneous magnetic field, we achieve total control over the motion of diamagnetic and paramagnetic colloids. We can transport simultaneously and independently each type of colloid along any of the six crystallographic directions of the pattern via adiabatic or deterministic ratchet motion. Both types of motion are topologically protected. As an application, we implement an automatic topologically protected quality control of a chemical reaction between functionalized colloids. Our results are relevant to other systems with the same symmetry.

Radiation-induced segregation and precipitation behaviours around cascade clusters under electron irradiation.

PubMed

Sueishi, Yuichiro; Sakaguchi, Norihito; Shibayama, Tamaki; Kinoshita, Hiroshi; Takahashi, Heishichiro

2003-01-01

We have investigated the formation of cascade clusters and structural changes in them by means of electron irradiation following ion irradiation in an austenitic stainless steel. Almost all of the cascade clusters, which were introduced by the ion irradiation, grew to form interstitial-type dislocation loops or vacancy-type stacking fault tetrahedra after electron irradiation at 623 K, whereas a few of the dot-type clusters remained in the matrix. It was possible to recognize the concentration of Ni and Si by radiation-induced segregation around the dot-type clusters. After electron irradiation at 773 K, we found that some cascade clusters became precipitates (delta-Ni2Si) due to radiation-induced precipitation. This suggests that the cascade clusters could directly become precipitation sites during irradiation.

Design and simulation of a sensor for heliostat field closed loop control

NASA Astrophysics Data System (ADS)

Collins, Mike; Potter, Daniel; Burton, Alex

2017-06-01

Significant research has been completed in pursuit of capital cost reductions for heliostats [1],[2]. The camera array closed loop control concept has potential to radically alter the way heliostats are controlled and installed by replacing high quality open loop targeting systems with low quality targeting devices that rely on measurement of image position to remove tracking errors during operation. Although the system could be used for any heliostat size, the system significantly benefits small heliostats by reducing actuation costs, enabling large numbers of heliostats to be calibrated simultaneously, and enabling calibration of heliostats that produce low irradiance (similar or less than ambient light images) on Lambertian calibration targets, such as small heliostats that are far from the tower. A simulation method for the camera array has been designed and verified experimentally. The simulation tool demonstrates that closed loop calibration or control is possible using this device.

Dislocation mechanisms in stressed crystals with surface effects

NASA Astrophysics Data System (ADS)

Wu, Chi-Chin; Crone, Joshua; Munday, Lynn; Discrete Dislocation Dynamics Team

2014-03-01

Understanding dislocation properties in stressed crystals is the key for important processes in materials science, including the strengthening of metals and the stress relaxation during the growth of hetero-epitaxial structures. Despite existing experimental approaches and theories, many dislocation mechanisms with surface effects still remain elusive in experiments. Even though discrete dislocation dynamics (DDD) simulations are commonly employed to study dislocations, few demonstrate sufficient computational capabilities for massive dislocations with the combined effects of surfaces and stresses. Utilizing the Army's newly developed FED3 code, a DDD computation code coupled with finite elements, this work presents several dislocation mechanisms near different types of surfaces in finite domains. Our simulation models include dislocations in a bended metallic cantilever beam, near voids in stressed metals, as well as threading and misfit dislocations in as-grown semiconductor epitaxial layers and their quantitative inter-correlations to stress relaxation and surface instability. Our studies provide not only detailed physics of individual dislocation mechanisms, but also important collective dislocation properties such as dislocation densities and strain-stress profiles and their interactions with surfaces.

Recombination properties of dislocations in GaN

NASA Astrophysics Data System (ADS)

Yakimov, Eugene B.; Polyakov, Alexander Y.; Lee, In-Hwan; Pearton, Stephen J.

2018-04-01

The recombination activity of threading dislocations in n-GaN with different dislocation densities and different doping levels was studied using electron beam induced current (EBIC). The recombination velocity on a dislocation, also known as the dislocation recombination strength, was calculated. The results suggest that dislocations in n-GaN giving contrast in EBIC are charged and surrounded by a space charge region, as evidenced by the observed dependence of dislocation recombination strength on dopant concentration. For moderate (below ˜108 cm-2) dislocation densities, these defects do not primarily determine the average diffusion length of nonequilibrium charge carriers, although locally, dislocations are efficient recombination sites. In general, it is observed that the effect of the growth method [standard metalorganic chemical vapor deposition (MOCVD), epitaxial lateral overgrowth versions of MOCVD, and hydride vapor phase epitaxy] on the recombination activity of dislocations is not very pronounced, although the average diffusion lengths can widely differ for various samples. The glide of basal plane dislocations at room temperature promoted by low energy electron irradiation does not significantly change the recombination properties of dislocations.

HiL simulation in biomechanics: a new approach for testing total joint replacements.

PubMed

Herrmann, Sven; Kaehler, Michael; Souffrant, Robert; Rachholz, Roman; Zierath, János; Kluess, Daniel; Mittelmeier, Wolfram; Woernle, Christoph; Bader, Rainer

2012-02-01

Instability of artificial joints is still one of the most prevalent reasons for revision surgery caused by various influencing factors. In order to investigate instability mechanisms such as dislocation under reproducible, physiologically realistic boundary conditions, a novel test approach is introduced by means of a hardware-in-the-loop (HiL) simulation involving a highly flexible mechatronic test system. In this work, the underlying concept and implementation of all required units is presented enabling comparable investigations of different total hip and knee replacements, respectively. The HiL joint simulator consists of two units: a physical setup composed of a six-axes industrial robot and a numerical multibody model running in real-time. Within the multibody model, the anatomical environment of the considered joint is represented such that the soft tissue response is accounted for during an instability event. Hence, the robot loads and moves the real implant components according to the information provided by the multibody model while transferring back the position and resisting moment recorded. Functionality of the simulator is proved by testing the underlying control principles, and verified by reproducing the dislocation process of a standard total hip replacement. HiL simulations provide a new biomechanical testing tool for analyzing different joint replacement systems with respect to their instability behavior under realistic movements and physiological load conditions. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Nitrogen nanoinclusions in milky diamonds from Juina area, Mato Grosso State, Brazil

NASA Astrophysics Data System (ADS)

Rudloff-Grund, J.; Brenker, F. E.; Marquardt, K.; Howell, D.; Schreiber, A.; O'Reilly, S. Y.; Griffin, W. L.; Kaminsky, F. V.

2016-11-01

A unique set of diamonds with a 'milky' optical appearance from the Rio Soriso placer deposit in the Juina area, Mato Grosso, Brazil was studied by combined transmission electron microscopy (TEM) and fourier transform infrared (FTIR) spectroscopy. The main characteristics of the studied samples are large numbers of randomly distributed {111}-faceted octahedral defect nanostructures. The dislocation densities of the focused ion beam (FIB) foils are generally low. Dislocation loops are observed only around larger inclusions. The inclusion size shows a bimodal distribution and spreads around values of 20 and 200 nm. Electron energy-loss spectroscopy (EELS) and energy-dispersive X-ray (EDX) spectroscopy mapping of both subsets yield high nitrogen contents for all sealed inclusions. In cases where the nanoinclusions touch the surface of the FIB section no nitrogen signal could be detected, indicating the loss of a fluid or gas phase as the carrier of nitrogen. FTIR mapping of the same regions showed a strong correlation between structurally bound nitrogen, hydrogen and the abundance of nanoinclusions. We propose that the most likely phase included in these nanoinclusions is NH3. These nanoinclusions could be the result of a high-temperature episode or of long residence times at shallower depths and lower temperatures. Thus they might represent the last stage of the nitrogen aggregation, or they may be syngenetic trapped NH-bearing source fluids.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trishkina, L., E-mail: trishkina.53@mail.ru; Zboykova, N.; Koneva, N., E-mail: koneva@tsuab.ru

The aim of the investigation was the determination of the statistic description of dislocation distribution in each dislocation substructures component forming after different deformation degrees in the Cu-Al alloys. The dislocation structures were investigated by the transmission diffraction electron microscopy method. In the work the statistic description of distance distribution between the dislocations, dislocation barriers and dislocation tangles in the deformed Cu-Al alloys with different concentration of Al and test temperature at the grain size of 100 µm was carried out. It was established that the above parameters influence the dislocation distribution in different types of the dislocation substructures (DSS): dislocationmore » chaos, dislocation networks without disorientation, nondisoriented and disoriented cells, in the walls and inside the cells. The distributions of the distances between dislocations in the investigated alloys for each DSS type formed at certain deformation degrees and various test temperatures were plotted.« less

Modeling and 2-D discrete simulation of dislocation dynamics for plastic deformation of metal

NASA Astrophysics Data System (ADS)

Liu, Juan; Cui, Zhenshan; Ou, Hengan; Ruan, Liqun

2013-05-01

Two methods are employed in this paper to investigate the dislocation evolution during plastic deformation of metal. One method is dislocation dynamic simulation of two-dimensional discrete dislocation dynamics (2D-DDD), and the other is dislocation dynamics modeling by means of nonlinear analysis. As screw dislocation is prone to disappear by cross-slip, only edge dislocation is taken into account in simulation. First, an approach of 2D-DDD is used to graphically simulate and exhibit the collective motion of a large number of discrete dislocations. In the beginning, initial grains are generated in the simulation cells according to the mechanism of grain growth and the initial dislocation is randomly distributed in grains and relaxed under the internal stress. During the simulation process, the externally imposed stress, the long range stress contribution of all dislocations and the short range stress caused by the grain boundaries are calculated. Under the action of these forces, dislocations begin to glide, climb, multiply, annihilate and react with each other. Besides, thermal activation process is included. Through the simulation, the distribution of dislocation and the stress-strain curves can be obtained. On the other hand, based on the classic dislocation theory, the variation of the dislocation density with time is described by nonlinear differential equations. Finite difference method (FDM) is used to solve the built differential equations. The dislocation evolution at a constant strain rate is taken as an example to verify the rationality of the model.

Existence of small loops in a bifurcation diagram near degenerate eigenvalues

NASA Astrophysics Data System (ADS)

Hmidi, Taoufik; Renault, Coralie

2017-10-01

In this paper, we study the global structure of a bifurcation diagram for rotating doubly connected patches near a degenerate case for incompressible Euler equations. We show that branches with the same symmetry merge, forming a small loop, provided that they are close enough. This gives an analytical proof for the numerical observations conducted in the recent work by de la Hoz et al (2016 SIAM J. Math. Anal. 48 1892-928).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marquis, Emmanuelle; Wirth, Brian; Was, Gary

Ferritic/martensitic (FM) steels such as HT-9, T-91 and NF12 with chromium concentrations in the range of 9-12 at.% Cr and high Cr ferritic steels (oxide dispersion strengthened steels with 12-18% Cr) are receiving increasing attention for advanced nuclear applications, e.g. cladding and duct materials for sodium fast reactors, pressure vessels in Generation IV reactors and first wall structures in fusion reactors, thanks to their advantages over austenitic alloys. Predicting the behavior of these alloys under radiation is an essential step towards the use of these alloys. Several radiation-induced phenomena need to be taken into account, including phase separation, solute clustering,more » and radiation-induced segregation or depletion (RIS) to point defect sinks. RIS at grain boundaries has raised significant interest because of its role in irradiation assisted stress corrosion cracking (IASCC) and corrosion of structural materials. Numerous observations of RIS have been reported on austenitic stainless steels where it is generally found that Cr depletes at grain boundaries, consistently with Cr atoms being oversized in the fcc Fe matrix. While FM and ferritic steels are also subject to RIS at grain boundaries, unlike austenitic steels, the behavior of Cr is less clear with significant scatter and no clear dependency on irradiation condition or alloy type. In addition to the lack of conclusive experimental evidence regarding RIS in F-M alloys, there have been relatively few efforts at modeling RIS behavior in these alloys. The need for predictability of materials behavior and mitigation routes for IASCC requires elucidating the origin of the variable Cr behavior. A systematic detailed high-resolution structural and chemical characterization approach was applied to ion-implanted and neutron-irradiated model Fe-Cr alloys containing from 3 to 18 at.% Cr. Atom probe tomography analyses of the microstructures revealed slight Cr clustering and segregation to dislocations and grain boundaries in the ion-irradiated alloys. More significant segregation was observed in the neutron irradiated alloys. For the more concentrated alloys, irradiation did not affect existing Cr segregation to grain boundaries and segregation to dislocation loops was not observed perhaps due to a change in the dislocation loop structure with increasing Cr concentration. Precipitation of α’ was observed in the neutron irradiated alloys containing over 9 at.% Cr. However ion irradiation appears to suppress the precipitation process. Initial low dose ion irradiation experiments strongly suggest a cascade recoil effect. The systematic analysis of grain boundary orientation on Cr segregation was significantly challenged by carbon contamination during ion irradiation or by existing carbon and therefore carbide formation at grain boundaries (sensitization). The combination of the proposed systematic experimental approach with atomistic modeling of diffusion processes directly addresses the programmatic need for developing and benchmarking predictive models for material degradation taking into account atomistic kinetics parameters« less

Undamped transverse oscillations of coronal loops as a self-oscillatory process

NASA Astrophysics Data System (ADS)

Nakariakov, V. M.; Anfinogentov, S. A.; Nisticò, G.; Lee, D.-H.

2016-06-01

Context. Standing transverse oscillations of coronal loops are observed to operate in two regimes: rapidly decaying, large amplitude oscillations and undamped small amplitude oscillations. In the latter regime the damping should be compensated by energy supply, which allows the loop to perform almost monochromatic oscillations with almost constant amplitude and phase. Different loops oscillate with different periods. The oscillation amplitude does not show dependence on the loop length or the oscillation period. Aims: We aim to develop a low-dimensional model explaining the undamped kink oscillations as a self-oscillatory process caused by the effect of negative friction. The source of energy is an external quasi-steady flow, for example, supergranulation motions near the loop footpoints or external flows in the corona. Methods: We demonstrate that the interaction of a quasi-steady flow with a loop can be described by a Rayleigh oscillator equation that is a non-linear ordinary differential equation, with the damping and resonant terms determined empirically. Results: Small-amplitude self-oscillatory solutions to the Rayleigh oscillator equation are harmonic signals of constant amplitude, which is consistent with the observed properties of undamped kink oscillations. The period of self-oscillations is determined by the frequency of the kink mode. The damping by dissipation and mode conversion is compensated by the continuous energy deposition at the frequency of the natural oscillation. Conclusions: We propose that undamped kink oscillations of coronal loops may be caused by the interaction of the loops with quasi-steady flows, and hence are self-oscillations, which is analogous to producing a tune by moving a bow across a violin string.

Dynamics of threading dislocations in porous heteroepitaxial GaN films

NASA Astrophysics Data System (ADS)

Gutkin, M. Yu.; Rzhavtsev, E. A.

2017-12-01

Behavior of threading dislocations in porous heteroepitaxial gallium nitride (GaN) films has been studied using computer simulation by the two-dimensional discrete dislocation dynamics approach. A computational scheme, where pores are modeled as cross sections of cylindrical cavities, elastically interacting with unidirectional parallel edge dislocations, which imitate threading dislocations, is used. Time dependences of coordinates and velocities of each dislocation from dislocation ensembles under investigation are obtained. Visualization of current structure of dislocation ensemble is performed in the form of a location map of dislocations at any time. It has been shown that the density of appearing dislocation structures significantly depends on the ratio of area of a pore cross section to area of the simulation region. In particular, increasing the portion of pores surface on the layer surface up to 2% should lead to about a 1.5-times decrease of the final density of threading dislocations, and increase of this portion up to 15% should lead to approximately a 4.5-times decrease of it.

Dermatoglyphs in carriers of a balanced 15;21 translocation.

PubMed

Rodewald, A; Zankl, M; Zankl, H; Zang, K D

1980-08-01

Cytogenetic and dermatoglyphic features were studied in a large family with an inherited 15;21 translocation. Of 35 healthy members of the family, 21 carried the translocation chromosome and 14 were chromosomally normal. There were six members with Down's syndrome who had the translocation. Dermatoglyphic studies showed that carriers of this balanced translocation had the following peculiarities significantly more often than the general population. On the hands, they had ulnar loops on the fingertips, symmetrical high terminations of the A line, symmetrical ulnar loops on the hypothenar areas, distal loops in the 3rd interdigital areas, open fields in the 4th interdigital areas, axial triradii in the distal position, and single transverse palmar creases (Sydney lines). On the feet, they had small distal loops on the hallucal area and distal loops in the 4th interdigital areas. The translocation carriers also had significantly more often than non-carrier relatives symmetrical high terminations of the A line, open fields in the 4th interdigital areas, distal axial triradii, and Sydney lines. On the feet, they had small distal loops on the hallucal areas, distal loops in the 4th interdigital areas, and tibial loops on the proximal hypothenar areas. The data obtained from this study, and especially the values of the Walker and general indices, indicate that some of the dermatoglyphic stigmata of Down's syndrome are directly associated with the 15;21 translocation carrier state and can therefore be used for predicting that state.

Electrical Impact of SiC Structural Crystal Defects on High Electric Field Devices

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.

1999-01-01

Commercial epilayers are known to contain a variety of crystallographic imperfections. including micropipes, closed core screw dislocations. low-angle boundaries, basal plane dislocations, heteropolytypic inclusions, and non-ideal surface features like step bunching and pits. This paper reviews the limited present understanding of the operational impact of various crystal defects on SiC electrical devices. Aside from micropipes and triangular inclusions whose densities have been shrinking towards manageably small values in recent years, many of these defects appear to have little adverse operational and/or yield impact on SiC-based sensors, high-frequency RF, and signal conditioning electronics. However high-power switching devices used in power management and distribution circuits have historically (in silicon experience) demanded the highest material quality for prolonged safe operation, and are thus more susceptible to operational reliability problems that arise from electrical property nonuniformities likely to occur at extended crystal defects. A particular emphasis is placed on the impact of closed-core screw dislocations on high-power switching devices, because these difficult to observe defects are present in densities of thousands per cm,in commercial SiC epilayers. and their reduction to acceptable levels seems the most problematic at the present time.

Rescue patient from tracheal obstruction by dislocated bronchial stent during tracheostomy surgery with readily available tools: A case report.

PubMed

Chang, Hung-Yu; Man, Kee-Ming; Liao, Kate Hsiurong; Chiang, Yi-Ying; Chen, Kuen-Bao

2017-09-01

Airway stenting is a well-established method that relieves symptoms and maintains airway patency in patients with airway obstruction. Serious complications caused by airway stents such as stent dislocation and airway obstruction during surgery are life-threatening. An 80-year-old man was treated with bronchial stent for left bronchus obstruction caused by metastatic esophageal cancer. During tracheostomy surgery, he suffered from acute tracheal obstruction caused by dislocated bronchial stent. Esophageal cancer, left bronchus obstruction, respiratory failure, tracheal obstruction. Threading a 5.0-sized endotracheal tube combined with an Eschmann tracheal tube introducer to prop up the collapsed stent. The bronchial stent was re-expanded and threaded into right main bronchus and ventilation restored. Patient with airway stent undergoing surgery with airway involved should be performed under the support of a backup physician and equipment that are capable of handling potentially life-threatening complications of airway stent. If not, in the emergent situation of tracheal obstruction due to tracheal/bronchial stent, protruding through the stent with a suitable, small-sized endotracheal tube with Eschmann tracheal tube introducer may be an alternative skill for saving life weighted with possible complications.

Density of bunched threading dislocations in epitaxial GaN layers as determined using X-ray diffraction

NASA Astrophysics Data System (ADS)

Barchuk, M.; Holý, V.; Rafaja, D.

2018-04-01

X-ray diffraction is one of the most popular experimental methods employed for determination of dislocation densities, as it can recognize both the strain fields and the local lattice rotations produced by dislocations. The main challenge of the quantitative analysis of the dislocation density is the formulation of a suitable microstructure model, which describes the dislocation arrangement and the effect of the interactions between the strain fields from neighboring dislocations reliably in order to be able to determine the dislocation densities precisely. The aim of this study is to prove the capability of X-ray diffraction and two computational methods, which are frequently used for quantification of the threading dislocation densities from X-ray diffraction measurements, in the special case of partially bunched threading dislocations. The first method is based on the analysis of the dislocation-controlled crystal mosaicity, and the other one on the analysis of diffuse X-ray scattering from threading dislocations. The complementarity of both methods is discussed. Furthermore, it is shown how the complementarity of these methods can be used to improve the results of the quantitative analysis of bunched and thus inhomogeneously distributed threading dislocations and to get a better insight into the dislocation arrangement.

Soliton concepts and protein structure

NASA Astrophysics Data System (ADS)

Krokhotin, Andrei; Niemi, Antti J.; Peng, Xubiao

2012-03-01

Structural classification shows that the number of different protein folds is surprisingly small. It also appears that proteins are built in a modular fashion from a relatively small number of components. Here we propose that the modular building blocks are made of the dark soliton solution of a generalized discrete nonlinear Schrödinger equation. We find that practically all protein loops can be obtained simply by scaling the size and by joining together a number of copies of the soliton, one after another. The soliton has only two loop-specific parameters, and we compute their statistical distribution in the Protein Data Bank (PDB). We explicitly construct a collection of 200 sets of parameters, each determining a soliton profile that describes a different short loop. The ensuing profiles cover practically all those proteins in PDB that have a resolution which is better than 2.0 Å, with a precision such that the average root-mean-square distance between the loop and its soliton is less than the experimental B-factor fluctuation distance. We also present two examples that describe how the loop library can be employed both to model and to analyze folded proteins.

High temperature deformation behavior, thermal stability and irradiation performance in Grade 92 steel

NASA Astrophysics Data System (ADS)

Alsagabi, Sultan

The 9Cr-2W ferritic-martensitic steel (i.e. Grade 92 steel) possesses excellent mechanical and thermophysical properties; therefore, it has been considered to suit more challenging applications where high temperature strength and creep-rupture properties are required. The high temperature deformation mechanism was investigated through a set of tensile testing at elevated temperatures. Hence, the threshold stress concept was applied to elucidate the operating high temperature deformation mechanism. It was identified as the high temperature climb of edge dislocations due to the particle-dislocation interactions and the appropriate constitutive equation was developed. In addition, the microstructural evolution at room and elevated temperatures was investigated. For instance, the microstructural evolution under loading was more pronounced and carbide precipitation showed more coarsening tendency. The growth of these carbide precipitates, by removing W and Mo from matrix, significantly deteriorates the solid solution strengthening. The MX type carbonitrides exhibited better coarsening resistance. To better understand the thermal microstructural stability, long tempering schedules up to 1000 hours was conducted at 560, 660 and 760°C after normalizing the steel. Still, the coarsening rate of M23C 6 carbides was higher than the MX-type particles. Moreover, the Laves phase particles were detected after tempering the steel for long periods before they dissolve back into the matrix at high temperature (i.e. 720°C). The influence of the tempering temperature and time was studied for Grade 92 steel via Hollomon-Jaffe parameter. Finally, the irradiation performance of Grade 92 steel was evaluated to examine the feasibility of its eventual reactor use. To that end, Grade 92 steel was irradiated with iron (Fe2+) ions to 10, 50 and 100 dpa at 30 and 500°C. Overall, the irradiated samples showed some irradiation-induced hardening which was more noticeable at 30°C. Additionally, irradiation-induced defect clusters and dislocation loops were observed and the irradiated samples did not show any bubble or void.

A Novel Approach for Dynamic Testing of Total Hip Dislocation under Physiological Conditions.

PubMed

Herrmann, Sven; Kluess, Daniel; Kaehler, Michael; Grawe, Robert; Rachholz, Roman; Souffrant, Robert; Zierath, János; Bader, Rainer; Woernle, Christoph

2015-01-01

Constant high rates of dislocation-related complications of total hip replacements (THRs) show that contributing factors like implant position and design, soft tissue condition and dynamics of physiological motions have not yet been fully understood. As in vivo measurements of excessive motions are not possible due to ethical objections, a comprehensive approach is proposed which is capable of testing THR stability under dynamic, reproducible and physiological conditions. The approach is based on a hardware-in-the-loop (HiL) simulation where a robotic physical setup interacts with a computational musculoskeletal model based on inverse dynamics. A major objective of this work was the validation of the HiL test system against in vivo data derived from patients with instrumented THRs. Moreover, the impact of certain test conditions, such as joint lubrication, implant position, load level in terms of body mass and removal of muscle structures, was evaluated within several HiL simulations. The outcomes for a normal sitting down and standing up maneuver revealed good agreement in trend and magnitude compared with in vivo measured hip joint forces. For a deep maneuver with femoral adduction, lubrication was shown to cause less friction torques than under dry conditions. Similarly, it could be demonstrated that less cup anteversion and inclination lead to earlier impingement in flexion motion including pelvic tilt for selected combinations of cup and stem positions. Reducing body mass did not influence impingement-free range of motion and dislocation behavior; however, higher resisting torques were observed under higher loads. Muscle removal emulating a posterior surgical approach indicated alterations in THR loading and the instability process in contrast to a reference case with intact musculature. Based on the presented data, it can be concluded that the HiL test system is able to reproduce comparable joint dynamics as present in THR patients.

A Novel Approach for Dynamic Testing of Total Hip Dislocation under Physiological Conditions

PubMed Central

Herrmann, Sven; Kluess, Daniel; Kaehler, Michael; Grawe, Robert; Rachholz, Roman; Souffrant, Robert; Zierath, János; Bader, Rainer; Woernle, Christoph

2015-01-01

Constant high rates of dislocation-related complications of total hip replacements (THRs) show that contributing factors like implant position and design, soft tissue condition and dynamics of physiological motions have not yet been fully understood. As in vivo measurements of excessive motions are not possible due to ethical objections, a comprehensive approach is proposed which is capable of testing THR stability under dynamic, reproducible and physiological conditions. The approach is based on a hardware-in-the-loop (HiL) simulation where a robotic physical setup interacts with a computational musculoskeletal model based on inverse dynamics. A major objective of this work was the validation of the HiL test system against in vivo data derived from patients with instrumented THRs. Moreover, the impact of certain test conditions, such as joint lubrication, implant position, load level in terms of body mass and removal of muscle structures, was evaluated within several HiL simulations. The outcomes for a normal sitting down and standing up maneuver revealed good agreement in trend and magnitude compared with in vivo measured hip joint forces. For a deep maneuver with femoral adduction, lubrication was shown to cause less friction torques than under dry conditions. Similarly, it could be demonstrated that less cup anteversion and inclination lead to earlier impingement in flexion motion including pelvic tilt for selected combinations of cup and stem positions. Reducing body mass did not influence impingement-free range of motion and dislocation behavior; however, higher resisting torques were observed under higher loads. Muscle removal emulating a posterior surgical approach indicated alterations in THR loading and the instability process in contrast to a reference case with intact musculature. Based on the presented data, it can be concluded that the HiL test system is able to reproduce comparable joint dynamics as present in THR patients. PMID:26717236

Evora® chromium-cobalt dual mobility socket: results at a minimum 10 years' follow-up.

PubMed

Leclercq, S; Benoit, J Y; de Rosa, J P; Tallier, E; Leteurtre, C; Girardin, P H

2013-12-01

The Evora chromium-cobalt alloy dual mobility socket claims to display a large articulation tribology different from that of stainless steel models, limiting the risk of intraprosthetic dislocation and wear. The present study reports a minimum of 10years' follow-up in a multicenter prospective series of 200 sockets previously reported on at 5years. The use of chromium-cobalt in dual mobility sockets provides a low rate of failure at 10years, especially as regards to osteolysis and intraprosthetic dislocation. Two hundred hydroxyapatite-coated molded chromium-cobalt sockets without titanium interface were implanted without cement in 194 patients with a mean age of 70 years (range, 32-91 years). Clinical results were assessed on Postel Merle d'Aubigné and Harris scores, plain radiographs and survival analysis. At a mean 11 years' follow-up (10-13 years), 56 patients had died and 31 were lost to follow-up. Four underwent surgical revision (3 femoral components, and 1 socket for migration at 9 years with complete disappearance of the hydroxyapatite). A total of 109 implants were analyzable in 107 patients with a mean age of 81 years (55-93 years). At follow-up, the mean Harris score was 90 (75-96) and the PMA score 16.3 (14-18). There were no cases of loosening (except for the case reoperated on at 9 years) and no acetabular radiolucency or cysts. There were 2 cases of non-evolutive femoral radiolucency and 10 of femoral granuloma, involving head size > 22 mm (P<0.0001) and a cemented titanium stem (P=0.004) as risk factors. There were no dislocations in the large or small articulation. Ten-year survival was 99% (95% CI: 97.3%-100%) with socket revision as censorship criterion. The absence of dislocation in both small and large articulations confirmed the efficacy of the dual mobility concept and suggested an advantage for chromium-cobalt sockets in reducing the rate of intraprosthetic dislocation and preventing blockage of the large articulation by a better performance in the friction couple. Granulomas were associated with wear in cemented titanium stems and with heads greater than 22 mm in diameter. Ten-year survival was 99% (censorship criterion: revision for socket failure); there was, however, one case of socket loosening with disappearance of the hydroxyapatite, indicating that surveillance should be continued in this cohort. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

Automated identification and indexing of dislocations in crystal interfaces

DOE PAGES

Stukowski, Alexander; Bulatov, Vasily V.; Arsenlis, Athanasios

2012-10-31

Here, we present a computational method for identifying partial and interfacial dislocations in atomistic models of crystals with defects. Our automated algorithm is based on a discrete Burgers circuit integral over the elastic displacement field and is not limited to specific lattices or dislocation types. Dislocations in grain boundaries and other interfaces are identified by mapping atomic bonds from the dislocated interface to an ideal template configuration of the coherent interface to reveal incompatible displacements induced by dislocations and to determine their Burgers vectors. Additionally, the algorithm generates a continuous line representation of each dislocation segment in the crystal andmore » also identifies dislocation junctions.« less

Formation of prismatic loops from C15 Laves phase interstitial clusters in body-centered cubic iron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yongfeng; Bai, Xian-Ming; Tonks, Michael R.

2015-03-01

This Letter reports the transition of C15 phase self-interstitial clusters to loops in body-centered-cubic Iron. Molecular dynamics simulations are performed to evaluate the relative stabilities of difference interstitial cluster configurations including C15 phase structure and <100> and <111>/2 loops. Within a certain size range, C15 cluster are found more stable than loops, and the relative stabilities are reversed beyond that range. In accordance to the crossover in relative stabilities, C15 clusters may grow by absorbing individual interstitials at small sizes and transitions into loops eventually. The transition takes place by nucleation and reaction of <111>/2 loop segments. These observations explainmore » the absence of C15 phase interstitial clusters predicted by density-functional-theory calculations in previous experimental observations. More importantly, the current results provide a new formation mechanism of <100> loops which requires no interaction of loops.« less

Evolution of Radiation Induced Defects in SiC: A Multiscale Simulation Approach

NASA Astrophysics Data System (ADS)

Jiang, Hao

Because of various excellent properties, SiC has been proposed for many applications in nuclear reactors including cladding layers in fuel rod, fission products container in TRISO fuel, and first wall/blanket in magnetic controlled fusion reactors. Upon exposure to high energy radiation environments, point defects and defect clusters are generated in materials in amounts significantly exceeding their equilibrium concentrations. The accumulation of defects can lead to undesired consequences such as crystalline-to-amorphous transformation1, swelling, and embrittlement, and these phenomena can adversely affect the lifetime of SiC based components in nuclear reactors. It is of great importance to understand the accumulation process of these defects in order to estimate change in properties of this material and to design components with superior ability to withstand radiation damages. Defect clusters are widely in SiC irradiated at the operation temperatures of various reactors. These clusters are believed to cause more than half of the overall swelling of irradiated SiC and can potentially lead to lowered thermal conductivity and mechanical strength. It is critical to understand the formation and growth of these clusters. Diffusion of these clusters is one importance piece to determine the growth rate of clusters; however it is unclear so far due to the challenges in simulating rare events. Using a combination of kinetic Activation Relaxation Technique with empirical potential and ab initio based climbing image nudged elastic band method, I performed an extensive search of the migration paths of the most stable carbon tri-interstitial cluster in SiC. This research reveals paths with the lowest energy barriers to migration, rotation, and dissociation of the most stable cluster. Based on these energy barriers, I concluded defect clusters are thermally immobile at temperatures lower than 1500 K and can dissociate into smaller clusters and single interstitials at temperatures beyond that. Even though clusters cannot diffuse by thermal vibrations, we found they can migrate at room temperature under the influence of electron radiation. This is the first direct observation of radiation-induced diffusion of defect clusters in bulk materials. We show that the underlying mechanism of this athermal diffusion is elastic collision between incoming electrons and cluster atoms. Our findings suggest that defect clusters may be mobile under certain irradiation conditions, changing current understanding of cluster annealing process in irradiated SiC. With the knowledge of cluster diffusion in SiC demonstrated in this thesis, we now become able to predict cluster evolution in SiC with good agreement with experimental measurements. This ability can enable us to estimate changes in many properties of irradiated SiC relevant for its applications in reactors. Internal interfaces such as grain boundaries can behave as sinks to radiation induced defects. The ability of GBs to absorb, transport, and annihilate radiation-induced defects (sink strength) is important to understand radiation response of polycrystalline materials and to better design interfaces for improved resistance to radiation damage. Nowadays, it is established GBs' sink strength is not a static property but rather evolves with many factors, including radiation environments, grain size, and GB microstructure. In this thesis, I investigated the response of small-angle tilt and twist GBs to point defects fluxes in SiC. First of all, I found the pipe diffusion of interstitials in tilt GBs is slower than bulk diffusion. This is because the increased interatomic distance at dislocation cores raises the migration barrier of interstitial dumbbells. Furthermore, I show that both the annihilation of interstitials at jogs and jog nucleation from clusters are diffusion-controlled and can occur under off-stoichiometric interstitial fluxes. Finally, a dislocation line model is developed to predict the role of tilt GBs in annihilating radiation damage. The model predicts the role of tilt GBs in annihilating defects depends on the rate of defects segregation to and diffusion along tilt GBs. Tilt GBs mainly serve as diffusion channel for defects to reach other sinks when defect diffusivity is high at boundaries. When defect diffusivity is low, most of the defects segregated to tilt GBs are annihilated by dislocation climb. Up-to-date, the response of twist GBs under irradiation has been rarely reported in literature and is still unclear. It is important to develop atom scale insight on this question in order to predict twist GBs' sink strength for a better understanding of radiation response of polycrystalline materials. By using a combination of molecular dynamics and grand canonical Monte Carlo, here I demonstrate the defect kinetics in {001} and {111} twist GBs and the microstructural evolution of these GBs under defect fluxes in SiC. I found due to the deep potential well for interstitials at dislocation intersections within the interface, the mobility of defects on dislocation grid is retard and this leads to defect accumulation at GBs for many cases. Furthermore, I conclude both types of twist GBs have to form mixed dislocations with edge component in order to absorb accumulated interstitials at the interface. The formation of mixed dislocation is either by interstitial loop nucleation or by dislocation reactions at the interface. The continuous formation and climb of these mixed dislocations make twist GBs unsaturatable sinks to radiation induced defects.

Misfit dislocation patterns of Mg-Nb interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Youxing; Shao, Shuai; Liu, Xiang-Yang

The role of heterogeneous interfaces in improving mechanical properties of polycrystalline aggregates and laminated composites has been well recognized with interface structure being of fundamental importance in designing composites containing multiple interfaces. In this paper, taking the Mg (hexagonal close-packed (hcp))/Nb (body-centered cubic (bcc)) interface as an example, we develop Mg-Nb interatomic potentials for predicting atomic configurations of Mg/Nb interfaces. We systematically characterize interface dislocations of Mg/Nb interfaces with Nishiyama-Wassermann (NW) and Kurdjumov-Sachs (KS) orientation relationships and propose a generalized procedure of characterizing interface structure by combining atomistic simulation and interface dislocation theory, which is applicable for not only hcp/bccmore » interfaces, but also other systems with complicated interface dislocation configurations.Here, in Mg/Nb, interface dislocation networks of two types of interfaces are significantly different although they originate from partial dislocations of similar character: the NW interface is composed of three sets of partial dislocations, while the KS interface is composed of four sets of interface dislocations - three sets of partial dislocations and one set of full dislocations that forms from the reaction of two close partial dislocations.« less

Ultrasonic influence on evolution of disordered dislocation structures

NASA Astrophysics Data System (ADS)

Bachurin, D. V.; Murzaev, R. T.; Nazarov, A. A.

2017-12-01

Evolution of disordered dislocation structures under ultrasonic influence is studied in a model two-dimensional grain within the discrete-dislocation approach. Non-equilibrium grain boundary state is mimicked by a mesodefect located at the corners of the grain, stress field of which is described by that of a wedge junction disclination quadrupole. Significant rearrangement related to gliding of lattice dislocations towards the grain boundaries is found, which results in a noticeable reduction of internal stress fields and cancel of disclination quadrupole. The process of dislocation structure evolution passes through two stages: rapid and slow. The main dislocation rearrangement occurs during the first stage. Reduction of internal stress fields is associated with the number of dislocations entered into the grain boundaries. The change of misorientation angle due to lattice dislocations absorbed by the grain boundaries is evaluated. Amplitude of ultrasonic treatment significantly influences the relaxation of dislocation structure. Preliminary elastic relaxation of dislocation structure does not affect substantially the results of the following ultrasonic treatment. Substantial grain size dependence of relaxation of disordered dislocation systems is found. Simulation results are consistent with experimental data.

Magnetic switch coupling to synchronize magnetic modulators

DOEpatents

Reed, K.W.; Kiekel, P.

1999-04-27

Apparatus for synchronizing the output pulses from a pair of magnetic switches is disclosed. An electrically conductive loop is provided between the pair of switches with the loop having windings about the core of each of the magnetic switches. The magnetic coupling created by the loop removes voltage and timing variations between the outputs of the two magnetic switches caused by any of a variety of factors. The only remaining variation is a very small fixed timing offset caused by the geometry and length of the loop itself. 13 figs.

Hydrogen diffusion in the elastic fields of dislocations in iron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sivak, A. B., E-mail: Sivak-AB@nrcki.ru; Sivak, P. A.; Romanov, V. A.

2016-12-15

The effect of dislocation stress fields on the sink efficiency thereof is studied for hydrogen interstitial atoms at temperatures of 293 and 600 K and at a dislocation density of 3 × 10{sup 14} m{sup –2} in bcc iron crystal. Rectilinear full screw and edge dislocations in basic slip systems 〈111〉(110), 〈111〉(112), 〈100〉(100), and 〈100〉(110) are considered. Diffusion of defects is simulated by means of the object kinetic Monte Carlo method. The energy of interaction between defects and dislocations is calculated using the anisotropic theory of elasticity. The elastic fields of dislocations result in a less than 25% change ofmore » the sink efficiency as compared to the noninteracting linear sink efficiency at a room temperature. The elastic fields of edge dislocations increase the dislocation sink efficiency, whereas the elastic fields of screw dislocations either decrease this parameter (in the case of dislocations with the Burgers vector being 1/2〈111〉) or do not affect it (in the case of dislocations with the Burgers vector being 〈100〉). At temperatures above 600 K, the dislocations affect the behavior of hydrogen in bcc iron mainly owing to a high binding energy between the hydrogen atom and dislocation cores.« less

Initial dislocation structure and dynamic dislocation multiplication in Mo single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hsiung, L M; Lassila, D H

Initial dislocation structure in annealed high-purity Mo single crystals and deformation substructure in a crystal subjected to 1% compression have been examined and studied in order to investigate dislocation multiplication mechanisms in the early stages of plastic deformation. The initial dislocation density is in a range of 10{sup 6} {approx} 10{sup 7} cm{sup -2}, and the dislocation structure is found to contain many grown-in superjogs along dislocation lines. The dislocation density increases to a range of 10{sup 8} {approx} 10{sup 9} cm{sup -2}, and the average jog height is also found to increase after compressing for a total strain ofmore » 1%. It is proposed that the preexisting jogged screw dislocations can act as (multiple) dislocation multiplication sources when deformed under quasi-static conditions. Both the jog height and length of link segment (between jogs) can increase by stress-induced jog coalescence, which takes place via the lateral migration (drift) of superjogs driven by unbalanced line-tension partials acting on link segments of unequal lengths. Applied shear stress begins to push each link segment to precede dislocation multiplication when link length and jog height are greater than critical lengths. This dynamic dislocation multiplication source is subsequently verified by direct simulations of dislocation dynamics under stress to be crucial in the early stages of plastic deformation in Mo single crystals.« less

Dislocation confinement in the growth of Na flux GaN on metalorganic chemical vapor deposition-GaN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takeuchi, S., E-mail: takeuchi@ee.es.osaka-u.ac.jp; Asazu, H.; Nakamura, Y.

2015-12-28

We have demonstrated a GaN growth technique in the Na flux method to confine c-, (a+c)-, and a-type dislocations around the interface between a Na flux GaN crystal and a GaN layer grown by metalorganic chemical vapor deposition (MOCVD) on a (0001) sapphire substrate. Transmission electron microscopy (TEM) clearly revealed detailed interface structures and dislocation behaviors that reduced the density of vertically aligned dislocations threading to the Na flux GaN surface. Submicron-scale voids were formed at the interface above the dislocations with a c component in MOCVD-GaN, while no such voids were formed above the a-type dislocations. The penetration ofmore » the dislocations with a c component into Na flux GaN was, in most cases, effectively blocked by the presence of the voids. Although some dislocations with a c component in the MOCVD-GaN penetrated into the Na flux GaN, their propagation direction changed laterally through the voids. On the other hand, the a-type dislocations propagated laterally and collectively near the interface, when these dislocations in the MOCVD-GaN penetrated into the Na flux GaN. These results indicated that the dislocation propagation behavior was highly sensitive to the type of dislocation, but all types of dislocations were confined to within several micrometers region of the Na flux GaN from the interface. The cause of void formation, the role of voids in controlling the dislocation behavior, and the mechanism of lateral and collective dislocation propagation are discussed on the basis of TEM results.« less

Dislocation density evolution in the process of high-temperature treatment and creep of EK-181 steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vershinina, Tatyana, E-mail: vershinina@bsu.edu.ru

2017-03-15

X-ray diffraction has been used to study the dislocation structure in ferrite-martensite high-chromium steel EK-181 in the states after heat treatment and high-temperature creep. The influence of heat treatment and stress on evolution of lath martensite structure was investigated by and electron back-scattered diffraction. The effect of nitrogen content on the total dislocation density, fraction of edge and screw dislocation segments are analyzed. - Highlights: •Fraction of edge dislocation in quenched state depends on nitrogen concentration. •Nitrogen affects the character of dislocation structure evolution during annealing. •Edge dislocations fraction influences on dislocation density after aging and creep.

Advancing viral RNA structure prediction: measuring the thermodynamics of pyrimidine-rich internal loops

PubMed Central

Phan, Andy; Mailey, Katherine; Saeki, Jessica; Gu, Xiaobo

2017-01-01

Accurate thermodynamic parameters improve RNA structure predictions and thus accelerate understanding of RNA function and the identification of RNA drug binding sites. Many viral RNA structures, such as internal ribosome entry sites, have internal loops and bulges that are potential drug target sites. Current models used to predict internal loops are biased toward small, symmetric purine loops, and thus poorly predict asymmetric, pyrimidine-rich loops with >6 nucleotides (nt) that occur frequently in viral RNA. This article presents new thermodynamic data for 40 pyrimidine loops, many of which can form UU or protonated CC base pairs. Uracil and protonated cytosine base pairs stabilize asymmetric internal loops. Accurate prediction rules are presented that account for all thermodynamic measurements of RNA asymmetric internal loops. New loop initiation terms for loops with >6 nt are presented that do not follow previous assumptions that increasing asymmetry destabilizes loops. Since the last 2004 update, 126 new loops with asymmetry or sizes greater than 2 × 2 have been measured. These new measurements significantly deepen and diversify the thermodynamic database for RNA. These results will help better predict internal loops that are larger, pyrimidine-rich, and occur within viral structures such as internal ribosome entry sites. PMID:28213527

Supersonic Dislocation Bursts in Silicon

DOE PAGES

Hahn, E. N.; Zhao, S.; Bringa, E. M.; ...

2016-06-06

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolutionmore » we successfully predict a dislocation density of 1.5 x 10(12) cm(-2) within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon.« less

Supersonic Dislocation Bursts in Silicon

PubMed Central

Hahn, E. N.; Zhao, S.; Bringa, E. M.; Meyers, M. A.

2016-01-01

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolution we successfully predict a dislocation density of 1.5 × 1012 cm−2 within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon. PMID:27264746

Supersonic Dislocation Bursts in Silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, E. N.; Zhao, S.; Bringa, E. M.

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolutionmore » we successfully predict a dislocation density of 1.5 x 10(12) cm(-2) within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon.« less

New theory for Mode I crack-tip dislocation emission

NASA Astrophysics Data System (ADS)

Andric, Predrag; Curtin, W. A.

2017-09-01

A material is intrinsically ductile under Mode I loading when the critical stress intensity KIe for dislocation emission is lower than the critical stress intensity KIc for cleavage. KIe is usually evaluated using the approximate Rice theory, which predicts a dependence on the elastic constants and the unstable stacking fault energy γusf for slip along the plane of dislocation emission. Here, atomistic simulations across a wide range of fcc metals show that KIe is systematically larger (10-30%) than predicted. However, the critical (crack tip) shear displacement is up to 40% smaller than predicted. The discrepancy arises because Mode I emission is accompanied by the formation of a surface step that is not considered in the Rice theory. A new theory for Mode I emission is presented based on the ideas that (i) the stress resisting step formation at the crack tip creates "lattice trapping" against dislocation emission such that (ii) emission is due to a mechanical instability at the crack tip. The new theory is formulated using a Peierls-type model, naturally includes the energy to form the step, and reduces to the Rice theory (no trapping) when the step energy is small. The new theory predicts a higher KIe at a smaller critical shear displacement, rationalizing deviations of simulations from the Rice theory. Specific predictions of KIe for the simulated materials, usually requiring use of the measured critical crack tip shear displacement due to complex material non-linearity, show very good agreement with simulations. An analytic model involving only γusf, the surface energy γs, and anisotropic elastic constants is shown to be quite accurate, serves as a replacement for the analytical Rice theory, and is used to understand differences between Rice theory and simulation in recent literature. The new theory highlights the role of surface steps created by dislocation emission in Mode I, which has implications not only for intrinsic ductility but also for crack tip twinning and fracture due to chemical interactions at the crack tip.

Clinical therapeutic effects of AO/ASIF clavicle hook plate on distal clavicle fractures and acromioclavicular joint dislocations.

PubMed

Dou, Qingjun; Ren, Xiaofeng

2014-07-01

The aim of this study was to evaluate the security and effectiveness of AO/ASIF clavicle hook plate in the treatment of distal clavicle fractures and acromioclavicular joint dislocations. One hundred patients with distal clavicle fractures and acromioclavicular joint dislocations who were admitted in our hospital from January 2012 to January 2013 were selected as the study subjects. They were then randomly divided into a control group and an observation group (n=50). The observation group was treated with AO/ASIF clavicle hook plates, and the control group was treated with Kirschner-wire tension bands. The outcomes were recorded and compared. The JOA scores of the two groups were similar before surgery (P>0.05). The two groups both had obviously increased JOA scores in the postoperative 6th and 12th weeks, and the score in the postoperative 12th week was higher. There were statistically significant intra-group differences (P<0.05). The postoperative 6th-week and 12th-week JOA scores of the observation group were (83.2±1.8) and (97.4±1.5) respectively, and those of the control group were (71.6±2.2) and (82.3±2.6) respectively, with statistically significant inter-group differences (P<0.05). Significantly more patients in the observation group (100%) were evaluated as excellent or good outcomes after fixation than those in the control group (60%). After removal of the surgical apparatus, the recurrence rates of bone fracture and joint dislocation in the observation group were significantly lower than those of the control group (P<0.05). AO/ASIF clavicle hook plate functioned more effectively than Kirschner-wire tension band in clinical treatment of distal clavicle fractures and acromioclavicular joint dislocations. The former protocol enjoyed small incisions, firm fixation and early shoulder mobility. Therefore, it is a safe and effective surgical method that is worthy of being widely applied in clinical practice.

3-D Spherical Convection Modeling Applied to Mercury: Dislocation Versus Diffusion Rheology

NASA Astrophysics Data System (ADS)

Robertson, S. D.; King, S. D.

2016-12-01

Mercury is the smallest among the terrestrial planets and, prior to NASA's MESSENGER mission was thought to be the least tectonically and volcanically active body. Gravity and moment of inertia from MESSENGER constrain Mercury to have a thin silicate mantle shell of approximately 400 km over a massive iron core. This mantle is thinner than previously thought and the smallest end-member in comparison with the other terrestrial planets. Although Mercury currently has a stagnant lid and the present day mantle is likely not convecting, a significant proportion of Mercury's surface features could have been derived from convection in the viscous mantle. Given Mercury's small size, the amount of volcanism and tectonic activity was a surprise. We investigate the effect of dislocation creep rheology in olivine on the dynamics of Mercury. At the pressures and temperatures of Mercury's mantle, laboratory creep studies indicate that olivine deforms by dislocation creep. Previous studies using diffusion creep rheology find that the thin mantle shell of Mercury quickly becomes diffusive and, this is difficult to reconcile with the surface observations. We use the three-dimensional spherical code, CitcomS, to compare numerical models with both dislocation and diffusion creep. We compare gravity, topography, and mantle temperature as a function of time from the models with constraints on the timing of volcanic and tectonic activity on Mercury. The results show that with the dislocation creep mechanism, there is potential for convective flow in the mantle over billions of years. In contrast, models with the diffusion creep mechanism start with a convecting mantle that transitions to global diffusive cooling within 500 Myrs. Diffusion creep rheology does not adequately produce a dynamic interior that is consistent with the historical volcanic and tectonic evolution of the planet. This research is the result of participation in GLADE, a nine-week summer REU program directed by Dave Stegman (SIO/UCSD).

Conformational trapping of mismatch recognition complex MSH2/MSH3 on repair-resistant DNA loops.

PubMed

Lang, Walter H; Coats, Julie E; Majka, Jerzy; Hura, Greg L; Lin, Yuyen; Rasnik, Ivan; McMurray, Cynthia T

2011-10-18

Insertion and deletion of small heteroduplex loops are common mutations in DNA, but why some loops are prone to mutation and others are efficiently repaired is unknown. Here we report that the mismatch recognition complex, MSH2/MSH3, discriminates between a repair-competent and a repair-resistant loop by sensing the conformational dynamics of their junctions. MSH2/MSH3 binds, bends, and dissociates from repair-competent loops to signal downstream repair. Repair-resistant Cytosine-Adenine-Guanine (CAG) loops adopt a unique DNA junction that traps nucleotide-bound MSH2/MSH3, and inhibits its dissociation from the DNA. We envision that junction dynamics is an active participant and a conformational regulator of repair signaling, and governs whether a loop is removed by MSH2/MSH3 or escapes to become a precursor for mutation.

Association of a peptoid ligand with the apical loop of pri-miR-21 inhibits cleavage by Drosha

PubMed Central

Diaz, Jason P.; Chirayil, Rachel; Chirayil, Sara; Tom, Martin; Head, Katie J.; Luebke, Kevin J.

2014-01-01

We have found a small molecule that specifically inhibits cleavage of a precursor to the oncogenic miRNA, miR-21, by the microprocessor complex of Drosha and DGCR8. We identified novel ligands for the apical loop of this precursor from a screen of 14,024 N-substituted oligoglycines (peptoids) in a microarray format. Eight distinct compounds with specific affinity were obtained, three having affinities for the targeted loop in the low micromolar range and greater than 15-fold discrimination against a closely related hairpin. One of these compounds completely inhibits microprocessor cleavage of a miR-21 primary transcript at concentrations at which cleavage of another miRNA primary transcript, pri-miR-16, is little affected. The apical loop of pri-miR-21, placed in the context of pri-miR-16, is sufficient for inhibition of microprocessor cleavage by the peptoid. This compound also inhibits cleavage of pri-miR-21 containing the pri-miR-16 apical loop, suggesting an additional site of association within pri-miR-21. The reported peptoid is the first example of a small molecule that inhibits microprocessor cleavage by binding to the apical loop of a pri-miRNA. PMID:24497550

Morphological and functional changes after benzalkonium chloride treatment of the small intestinal Thiry-Vella loop in rats.

PubMed

Móricz, K; Gyetvai, B; Bárdos, G

1998-08-01

The aim of this work was to study the effects of benzalkonium chloride (BAC) treatment on the small intestine and its functioning in rats surgically prepared with Thiry-Vella intestinal loop. The loops were treated with either BAC, which ablated much of the myenteric plexus and extrinsic innervation, or with physiological saline (SAL). In vivo drinking experiments were performed to examine the effect on fluid intake and behavioral indices of distending the loop with a balloon. Spontaneous motility and its changes induced by acetylcholine (ACh) and histamine (His) were studied on isolated stripes in vitro. Finally, samples from the loops were examined histologically. Though reduction of the cell number was less than expected and no differences of the thickness of the muscular layer between the two groups was observed, BAC treatment altered the pattern of spontaneous activity and also the sensitivity to ACh and His in isolated stripes. In vivo distension of the SAL-treated loops reduced fluid intake and produced signs of aversivity; these effects were absent in the BAC-treated group. Our results show that despite the differences in the degree of ablation from those obtained by others, BAC treatment can be used to study the mechanisms underlying the effects of the enteral stimuli on the behavior.

Atomistic calculations of dislocation core energy in aluminium

DOE PAGES

Zhou, X. W.; Sills, R. B.; Ward, D. K.; ...

2017-02-16

A robust molecular dynamics simulation method for calculating dislocation core energies has been developed. This method has unique advantages: it does not require artificial boundary conditions, is applicable for mixed dislocations, and can yield highly converged results regardless of the atomistic system size. Utilizing a high-fidelity bond order potential, we have applied this method in aluminium to calculate the dislocation core energy as a function of the angle β between the dislocation line and Burgers vector. These calculations show that, for the face-centred-cubic aluminium explored, the dislocation core energy follows the same functional dependence on β as the dislocation elasticmore » energy: Ec = A·sin 2β + B·cos 2β, and this dependence is independent of temperature between 100 and 300 K. By further analysing the energetics of an extended dislocation core, we elucidate the relationship between the core energy and radius of a perfect versus extended dislocation. With our methodology, the dislocation core energy can be accurately accounted for in models of plastic deformation.« less

Atomistic calculations of dislocation core energy in aluminium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, X. W.; Sills, R. B.; Ward, D. K.

A robust molecular dynamics simulation method for calculating dislocation core energies has been developed. This method has unique advantages: it does not require artificial boundary conditions, is applicable for mixed dislocations, and can yield highly converged results regardless of the atomistic system size. Utilizing a high-fidelity bond order potential, we have applied this method in aluminium to calculate the dislocation core energy as a function of the angle β between the dislocation line and Burgers vector. These calculations show that, for the face-centred-cubic aluminium explored, the dislocation core energy follows the same functional dependence on β as the dislocation elasticmore » energy: Ec = A·sin 2β + B·cos 2β, and this dependence is independent of temperature between 100 and 300 K. By further analysing the energetics of an extended dislocation core, we elucidate the relationship between the core energy and radius of a perfect versus extended dislocation. With our methodology, the dislocation core energy can be accurately accounted for in models of plastic deformation.« less

Spherical nanoindentation study of the deformation micromechanisms of LiTaO{sub 3} single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anasori, B.; Barsoum, M. W.; Sickafus, K. E.

2011-07-15

Herein, spherical nanoindentation (NI) was used to investigate the room temperature deformation behavior of C-plane LiTaO{sub 3} single crystals loaded along the [0001] direction as a function of ion irradiation. When the NI load-displacement curves of 3 different nanoindenter radii (1.4 {mu}m, 5 {mu}m, and 21 {mu}m) were converted to NI stress-strain curves, good agreement between them was found. The surface first deforms elastically - with a Young's modulus of 205 {+-} 5 GPa, calculated from the stiffness versus contact radii curves and 207 {+-} 3 GPa measured using a Berkovich tip - and then plastically deforms at {approx_equal} 6more » GPa. Repeated loading into the same location results in large, reproducible, fully reversible, nested hysteresis loops attributed to the formation of incipient kink bands (IKBs). The latter are coaxial fully reversible dislocation loops that spontaneously shrink when the load is removed. The IKBs most probably nucleate within the (1012) twins that form near the surface. The sharper radii resulted in twin nucleation at lower stresses. The changes in the reversible loops' shape and areas can be related to the width of the twins that form. The latter were proportional to the nanoindenter tip radii and confirmed by scanning electron microscopy and by the fact that larger threshold stresses were needed for IKB nucleation with the smaller tip sizes. No effect of irradiation was observed on the NI response, presumably because of the mildness of the irradiation damage.« less

Management of traumatic patellar dislocation in a regional hospital in Hong Kong.

PubMed

Lee, H L; Yau, W P

2017-04-01

The role of surgery for acute patellar dislocation without osteochondral fracture is controversial. The aim of this study was to report the short-term results of management of patellar dislocation in our institute. Patients who were seen in our institution with patella dislocation from January 2011 to April 2014 were managed according to a standardised management algorithm. Pretreatment and 1-year post-treatment International Knee Documentation Committee score, Tegner activity level scale score, and presence of apprehension sign were analysed. A total of 41 patients were studied of whom 20 were first-time dislocators and 21 were recurrent dislocators. Among the first-time dislocators, there was a significant difference between patients who received conservative treatment versus surgical management. The conservative treatment group had a 33% recurrent dislocation rate, whereas there were no recurrent dislocations in the surgery group. There was no difference in Tegner activity level scale score or apprehension sign before and 1 year after treatment, however. Among the recurrent dislocators, there was a significant difference between those who received conservative treatment and those who underwent surgery. The recurrent dislocation rate was 71% in the conservative treatment group versus 0% in the surgery group. There was also significant improvement in International Knee Documentation Committee score from 67.7 to 80.0 (P=0.02), and of apprehension sign from 62% to 0% (P<0.01). A management algorithm for patellar dislocation is described. Surgery is preferable to conservative treatment in patients who have recurrent patellar dislocation, and may also be preferable for those who have an acute dislocation.

Probing the elastic limit of DNA bending

PubMed Central

Le, Tung T.; Kim, Harold D.

2014-01-01

Sharp bending of double-stranded DNA (dsDNA) plays an essential role in genome structure and function. However, the elastic limit of dsDNA bending remains controversial. Here, we measured the opening rates of small dsDNA loops with contour lengths ranging between 40 and 200 bp using single-molecule Fluorescence Resonance Energy Transfer. The relationship of loop lifetime to loop size revealed a critical transition in bending stress. Above the critical loop size, the loop lifetime changed with loop size in a manner consistent with elastic bending stress, but below it, became less sensitive to loop size, indicative of softened dsDNA. The critical loop size increased from ∼60 bp to ∼100 bp with the addition of 5 mM magnesium. We show that our result is in quantitative agreement with the kinkable worm-like chain model, and furthermore, can reproduce previously reported looping probabilities of dsDNA over the range between 50 and 200 bp. Our findings shed new light on the energetics of sharply bent dsDNA. PMID:25122748

Epitaxially grown BaM hexaferrite films having uniaxial axis in the film plane for self-biased devices

PubMed Central

Zhang, Xiaozhi; Meng, Siqin; Song, Dongsheng; Zhang, Yao; Yue, Zhenxing; Harris, Vincent G.

2017-01-01

Barium hexaferrite (BaM) films with in-plane c-axis orientation are promising and technically important materials for self-biased magnetic microwave devices. In this work, highly oriented BaM films with different thickness and an in-plane easy axis (c-axis) of magnetization were grown on a-plane single-crystal sapphire substrates by direct current magnetron sputtering. A procedure involving seed layers, layer-by-layer annealing was adopted to reduce the substrate-induced strains and allow for the growth of thick (~3.44 μm) films. The epitaxial growth of the BaM film on sapphire was revealed by high-resolution transmission electron microscopy with dislocations being observed at the film-substrate interface. The orientation was also verified by X-ray diffraction and more notably, polarized Raman scattering. The magnetic properties and ferromagnetic resonant frequencies were experimentally characterized by a vibrating sample magnetometry and a frequency-swept ferromagnetic resonant flip-chip technique, respectively. The micron-thick BaM films exhibited a large remanence ratio of 0.92 along in-plane easy axis and a small one of 0.09 for the in-plane hard axis loop measurement. The FMR frequency was 50.3 GHz at zero field and reached 57.9 GHz under a magnetic field of 3 kOe, indicating that the epitaxial BaM films with strong self-biased behaviors have good electromagnetic properties in millimeter-wave range. PMID:28276492

Epitaxially grown BaM hexaferrite films having uniaxial axis in the film plane for self-biased devices.

PubMed

Zhang, Xiaozhi; Meng, Siqin; Song, Dongsheng; Zhang, Yao; Yue, Zhenxing; Harris, Vincent G

2017-03-09

Barium hexaferrite (BaM) films with in-plane c-axis orientation are promising and technically important materials for self-biased magnetic microwave devices. In this work, highly oriented BaM films with different thickness and an in-plane easy axis (c-axis) of magnetization were grown on a-plane single-crystal sapphire substrates by direct current magnetron sputtering. A procedure involving seed layers, layer-by-layer annealing was adopted to reduce the substrate-induced strains and allow for the growth of thick (~3.44 μm) films. The epitaxial growth of the BaM film on sapphire was revealed by high-resolution transmission electron microscopy with dislocations being observed at the film-substrate interface. The orientation was also verified by X-ray diffraction and more notably, polarized Raman scattering. The magnetic properties and ferromagnetic resonant frequencies were experimentally characterized by a vibrating sample magnetometry and a frequency-swept ferromagnetic resonant flip-chip technique, respectively. The micron-thick BaM films exhibited a large remanence ratio of 0.92 along in-plane easy axis and a small one of 0.09 for the in-plane hard axis loop measurement. The FMR frequency was 50.3 GHz at zero field and reached 57.9 GHz under a magnetic field of 3 kOe, indicating that the epitaxial BaM films with strong self-biased behaviors have good electromagnetic properties in millimeter-wave range.

Dislocations

MedlinePlus

... or a blow, sometimes from playing a contact sport. You can dislocate your ankles, knees, shoulders, hips, ... to dislocate it again. Wearing protective gear during sports may help prevent dislocations.

Glide dislocation nucleation from dislocation nodes at semi-coherent {111} Cu–Ni interfaces

DOE PAGES

Shao, Shuai; Wang, Jian; Beyerlein, Irene J.; ...

2015-07-23

Using atomistic simulations and dislocation theory on a model system of semi-coherent {1 1 1} interfaces, we show that misfit dislocation nodes adopt multiple atomic arrangements corresponding to the creation and redistribution of excess volume at the nodes. We identified four distinctive node structures: volume-smeared nodes with (i) spiral or (ii) straight dislocation patterns, and volume-condensed nodes with (iii) triangular or (iv) hexagonal dislocation patterns. Volume-smeared nodes contain interfacial dislocations lying in the Cu–Ni interface but volume-condensed nodes contain two sets of interfacial dislocations in the two adjacent interfaces and jogs across the atomic layer between the two adjacent interfaces.more » Finally, under biaxial tension/compression applied parallel to the interface, we show that the nucleation of lattice dislocations is preferred at the nodes and is correlated with the reduction of excess volume at the nodes.« less

Nonplanar core structure of the screw dislocations in tantalum from the improved Peierls-Nabarro theory

NASA Astrophysics Data System (ADS)

Hu, Xiangsheng; Wang, Shaofeng

2018-02-01

The extended structure of ? screw dislocation in Ta has been studied theoretically using the improved Peierls-Nabarro model combined with the first principles calculation. An instructive way to derive the fundamental equation for dislocations with the nonplanar structure is presented. The full ?-surface of ? plane in tantalum is evaluated from the first principles. In order to compare the energy of the screw dislocation with different structures, the structure parameter is introduced to describe the core configuration. Each kind of screw dislocation is described by an overall-shape component and a core component. Far from the dislocation centre, the asymptotic behaviour of dislocation is uniquely controlled by the overall-shape component. Near the dislocation centre, the structure detail is described by the core component. The dislocation energy is explicitly plotted as a function of the core parameter for the nonplanar dislocation as well as for the planar dislocation. It is found that in the physical regime of the core parameter, the sixfold nonplanar structure always has the lowest energy. Our result clearly confirms that the sixfold nonplanar structure is the most stable. Furthermore, the pressure effect on the dislocation structure is explored up to 100 GPa. The stability of the sixfold nonplanar structure is not changed by the applied pressure. The equilibrium structure and the related stress field are calculated, and a possible mechanism of the dislocation movement is discussed briefly based on the structure deformation caused by the external stress.

Estimation of dislocations density and distribution of dislocations during ECAP-Conform process

NASA Astrophysics Data System (ADS)

Derakhshan, Jaber Fakhimi; Parsa, Mohammad Habibi; Ayati, Vahid; Jafarian, Hamidreza

2018-01-01

Dislocation density of coarse grain aluminum AA1100 alloy (140 µm) that was severely deformed by Equal Channel Angular Pressing-Conform (ECAP-Conform) are studied at various stages of the process by electron backscattering diffraction (EBSD) method. The geometrically necessary dislocations (GNDs) density and statistically stored dislocations (SSDs) densities were estimate. Then the total dislocations densities are calculated and the dislocation distributions are presented as the contour maps. Estimated average dislocations density for annealed of about 2×1012 m-2 increases to 4×1013 m-2 at the middle of the groove (135° from the entrance), and they reach to 6.4×1013 m-2 at the end of groove just before ECAP region. Calculated average dislocations density for one pass severely deformed Al sample reached to 6.2×1014 m-2. At micrometer scale the behavior of metals especially mechanical properties largely depend on the dislocation density and dislocation distribution. So, yield stresses at different conditions were estimated based on the calculated dislocation densities. Then estimated yield stresses were compared with experimental results and good agreements were found. Although grain size of material did not clearly change, yield stress shown intensive increase due to the development of cell structure. A considerable increase in dislocations density in this process is a good justification for forming subgrains and cell structures during process which it can be reason of increasing in yield stress.

[New varieties of lateral metatarsophalangeal dislocations of the great toe].

PubMed

Bousselmame, N; Rachid, K; Lazrak, K; Galuia, F; Taobane, H; Moulay, I

2001-04-01

We report seven cases of traumatic dislocation of the great toe, detailing the anatomy, the mechanism of injury and the radiographic diagnosis. We propose an additional classification based on three hereto unreported cases. Between october 1994 and october 1997, we treated seven patients with traumatic dislocation of the first metatarso-phalangeal joint of the great toe. There were six men and one woman, mean age 35 years (range 24 - 44 years). Dislocation was caused by motor vehicle accidents in four cases and by falls in three. Diagnosis was made on anteroposterior, lateral and medial oblique radiographs. According to Jahss' classification, there was one type I and three type IIB dislocations. There was also one open lateral dislocation and two dorsomedial dislocations. Only these dorsomedial dislocations required open reduction, done via a dorsal approach. Mean follow-up was 17.5 months (range 9 - 24 months) in six cases. One patient was lost to follow-up. The outcome was good in six cases and poor in one (dorsomedial dislocation). Dislocation of the first metatarso-phalangeal joint of the great toe is an uncommon injury. In 1980, Jahss reported two cases and reviewed three others described in the literature. He proposed three types of dislocation based on the feasibility of closed reduction (type I, II and IIB). In 1991, Copeland and Kanat reported a unique case in which there was an association of IIA and IIB lesions. They proposed an addition to the classification (type IIC). In 1994, Garcia Mata et al. reported another case which had not been described by Jahss and proposed another addition. All dislocations reported to date have been sagittal dislocations. Pathological alteration of the collateral ligaments has not been previously reported. In our experience, we have seen one case of open lateral dislocation due, at surgical exploration, to medial ligament rupture and two cases of dorsomedial dislocation due, at surgical exploration, to lateral ligament rupture. We propose another additional classification with pure lateral dislocation (type III) and dorso-lateral dislocation (type IL or IIL+), which are related to the formerly described variants.

OBSERVATIONAL SIGNATURES OF CORONAL LOOP HEATING AND COOLING DRIVEN BY FOOTPOINT SHUFFLING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dahlburg, R. B.; Taylor, B. D.; Einaudi, G.

The evolution of a coronal loop is studied by means of numerical simulations of the fully compressible three-dimensional magnetohydrodynamic equations using the HYPERION code. The footpoints of the loop magnetic field are advected by random motions. As a consequence, the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is nonuniformly distributed so that only a fraction of the coronal mass and volume gets heated at any time. Temperature and density are highly structured at scalesmore » that, in the solar corona, remain observationally unresolved: the plasma of our simulated loop is multithermal, where highly dynamical hotter and cooler plasma strands are scattered throughout the loop at sub-observational scales. Numerical simulations of coronal loops of 50,000 km length and axial magnetic field intensities ranging from 0.01 to 0.04 T are presented. To connect these simulations to observations, we use the computed number densities and temperatures to synthesize the intensities expected in emission lines typically observed with the Extreme Ultraviolet Imaging Spectrometer on Hinode. These intensities are used to compute differential emission measure distributions using the Monte Carlo Markov Chain code, which are very similar to those derived from observations of solar active regions. We conclude that coronal heating is found to be strongly intermittent in space and time, with only small portions of the coronal loop being heated: in fact, at any given time, most of the corona is cooling down.« less

Charged string loops in Reissner-Nordström black hole background

NASA Astrophysics Data System (ADS)

Oteev, Tursinbay; Kološ, Martin; Stuchlík, Zdeněk

2018-03-01

We study the motion of current carrying charged string loops in the Reissner-Nordström black hole background combining the gravitational and electromagnetic field. Introducing new electromagnetic interaction between central charge and charged string loop makes the string loop equations of motion to be non-integrable even in the flat spacetime limit, but it can be governed by an effective potential even in the black hole background. We classify different types of the string loop trajectories using effective potential approach, and we compare the innermost stable string loop positions with loci of the charged particle innermost stable orbits. We examine string loop small oscillations around minima of the string loop effective potential, and we plot radial profiles of the string loop oscillation frequencies for both the radial and vertical modes. We construct charged string loop quasi-periodic oscillations model and we compare it with observed data from microquasars GRO 1655-40, XTE 1550-564, and GRS 1915+105. We also study the acceleration of current carrying string loops along the vertical axis and the string loop ejection from RN black hole neighbourhood, taking also into account the electromagnetic interaction.