Interaction between short fatigue cracks and grain boundaries. Systematic experiments with focussed ion beam microscope and microstructural tomography; Ueber die Wechselwirkung kurzer Ermuedungsrisse mit Korngrenzen. Systematische Experimente mit Focussed Ion Beam Microscope und mikrostruktureller Tomographie

Energy Technology Data Exchange (ETDEWEB)

Schaef, Wolfgang

2011-04-15

Increasing the microstructural resistance of metallic materials to short fatigue crack growth is a major task of today's materials science. In this regard, grain boundaries and precipitates are well known to decelerate short cracks, but a quantitative understanding of the blocking effect is still missing. This is due to the fact that crack deceleration is influenced by many parameters: cyclic load, crack length, distance to obstacles, orientations of grains and obstacles. Even the examination of a huge number of short cracks would not be sufficient to identify the effect of these parameters independently, especially since fatigue crack growth is a 3D problem and investigations of the sub surface orientation of cracks and grain boundaries are scarce. The Focused Ion Beam Microscope (FIB) offers new methods for systematic experiments and 3D-investigation of short fatigue cracks that will help to quantify the microstructural impact on short fatigue crack growth. The ion beam is used to cut micro notches in selected grains on the surface of samples characterised by Electron Backscatter Diffraction (EBSD). Plane fatigue cracks initiate under cyclic loading in defined distances to the grain boundaries. By this technique it is possible for the first time to present quantitative data to describe the effect of grain boundaries on short fatigue cracks in nickel based superalloys (CMSX-4) as well as in mild steels.

Subgroup report on grain boundary and interphase boundary structure and properties

International Nuclear Information System (INIS)

Balluffi, R.W.; Cannon, R.M.; Clarke, D.R.; Heuer, A.H.; Ho, P.S.; Kear, B.H.; Vitek, V.; Weertman, J.R.; White, C.L.

1979-01-01

In many high temperature structural applications, the performance characteristics of a materials system are largely controlled by the properties of its grain and interphase boundaries. Failure in creep and fatigue frequently occurs by cavitation, or cracking along grain boundaries. In a few special cases, this failure problem has been overcome by directional alignment of grain and interphase boundaries by various types of metallurgical processing such as directional solidification and directional recrystallization. A good example is to be found in the application of directionally aligned structures in high performance gas-turbine airfoils. However, where fine, equiaxed grain structures are desirable, other methods of controlling grain boundary properties have been developed. Important among these has been the introduction of improvements in primary melting practices, designed to control important impurities. This is of decisive importance because even traces of certain impurity elements present in grain boundaries in high temperature materials can seriously affect properties. Impurities are deleterious and need to be removed. However, in certain cases, (e.g., creep fracture) controlled impurity additions can be beneficial and result in improved properties

Grain Boundary Engineering the Mechanical Properties of Allvac 718Plus(Trademark) Superalloy

Science.gov (United States)

Gabb, Timothy P.; Telesman, Jack; Garg, Anita; Lin, Peter; Provenzano, virgil; Heard, Robert; Miller, Herbert M.

2010-01-01

Grain Boundary Engineering can enhance the population of structurally-ordered "low S" Coincidence Site Lattice (CSL) grain boundaries in the microstructure. In some alloys, these "special" grain boundaries have been reported to improve overall resistance to corrosion, oxidation, and creep resistance. Such improvements could be quite beneficial for superalloys, especially in conditions which encourage damage and cracking at grain boundaries. Therefore, the effects of GBE processing on high-temperature mechanical properties of the cast and wrought superalloy Allvac 718Plus (Allvac ATI) were screened. Bar sections were subjected to varied GBE processing, and then consistently heat treated, machined, and tested at 650 C. Creep, tensile stress relaxation, and dwell fatigue crack growth tests were performed. The influences of GBE processing on microstructure, mechanical properties, and associated failure modes are discussed.

Texture, local misorientation, grain boundary and recrystallization fraction in pipeline steels related to hydrogen induced cracking

Energy Technology Data Exchange (ETDEWEB)

Mohtadi-Bonab, M.A., E-mail: m.mohtadi@usask.ca; Eskandari, M.; Szpunar, J.A.

2015-01-03

In the present study, API X60 and X60SS pipeline steels were cathodically charged by hydrogen for 8 h using 0.2 M sulfuric acid and 3 g/l ammonium thiocyanate. After charging, SEM observations showed that the hydrogen induced cracking (HIC) appeared at the center of cross section in the X60 specimen. However, HIC did not appear in the X60SS steel. Therefore, electron backscatter diffraction (EBSD) technique was used to analyze the center of cross section of as-received X60SS, X60 and HIC tested X60 specimens. The results showed that the HIC crack not only can propagate through 〈100〉||ND oriented grains but also its growth may happen in various orientations. In HIC tested X60 specimen, an accumulation of low angle grain boundaries around the crack path documented that full recrystallization was not achieved during hot rolling. Kernel Average Misorientaion (KAM) histogram illustrated that the deformation is more concentrated in as-received and HIC tested X60 specimens rather than in as-received X60SS specimen. Moreover, the concentration of coincidence site lattice (CSL) boundary in HIC tested X60 specimen was very low compared with other samples. The recrystallization area fraction in X60SS steel was very high. This high amount of recrystallization fraction with no stored energy is one of the main reasons for high HIC resistance of this steel to HIC. The orientation distribution function (ODF) of the recrystallized, substructured and deformed fractions in as-received X60SS and X60 steel showed relative close orientations in both as-received specimens.

Grain by grain study of the mechanisms of crack propagation during iodine SCC of Zry-4

International Nuclear Information System (INIS)

Haddad Andalag, R.E.

1993-01-01

This paper describes the tests conducted to determine the conditions leading to cracking of a specified grain of metal, focussing on the crystallographic orientation of crack paths, the critical stress conditions and the significance of the fractographic features encountered. In order to get orientable cracking, a technique was developed to produce iodine SCC, by means of pressurizing tubes of a specially heat treated Zry-4 having very large grains, shaped as discs of a few millimeters in diameter and grown up to the wall thickness. Careful orientation of fractured grains, performed by means of a back-reflection Laue technique with a precision better than one degree, has proved that transgranular cracking occurs only along basal planes. The effect of anisotropy, plasticity, triaxiality and residual stresses originated in thermal contraction, has to be considered to account for the influence of the stress state . A grain by grain calculation led to the conclusion that transgranular cracking always occurs on those bearing the maximum resolved tensile stress on basal planes. There are clear indications of the need of a triaxial stress state for the process to occur. Fracture modes other than pseudo-cleavage have been encountered, including intergranular separation, ductile tearing produced by prismatic slip and propagation along twin boundaries. In each case the fractographic features have been identified, and associations have been made with fractographs obtained in normal fuel cladding. (Author)

Grain boundary engineering for structure materials of nuclear reactors

Science.gov (United States)

Tan, L.; Allen, T. R.; Busby, J. T.

2013-10-01

Grain boundary engineering (GBE), primarily implemented by thermomechanical processing, is an effective and economical method of enhancing the properties of polycrystalline materials. Among the factors affecting grain boundary character distribution, literature data showed definitive effect of grain size and texture. GBE is more effective for austenitic stainless steels and Ni-base alloys compared to other structural materials of nuclear reactors, such as refractory metals, ferritic and ferritic-martensitic steels, and Zr alloys. GBE has shown beneficial effects on improving the strength, creep strength, and resistance to stress corrosion cracking and oxidation of austenitic stainless steels and Ni-base alloys.

Grain boundary engineering for structure materials of nuclear reactors

Energy Technology Data Exchange (ETDEWEB)

Tan, L., E-mail: tanl@ornl.gov [Materials Science and Technology Division, Oak Ridge National Laboratory (United States); Allen, T.R. [Department of Engineering Physics, University of Wisconsin–Madison (United States); Busby, J.T. [Materials Science and Technology Division, Oak Ridge National Laboratory (United States)

2013-10-15

Grain boundary engineering (GBE), primarily implemented by thermomechanical processing, is an effective and economical method of enhancing the properties of polycrystalline materials. Among the factors affecting grain boundary character distribution, literature data showed definitive effect of grain size and texture. GBE is more effective for austenitic stainless steels and Ni-base alloys compared to other structural materials of nuclear reactors, such as refractory metals, ferritic and ferritic–martensitic steels, and Zr alloys. GBE has shown beneficial effects on improving the strength, creep strength, and resistance to stress corrosion cracking and oxidation of austenitic stainless steels and Ni-base alloys.

Modeling of stresses at grain boundaries with respect to occurrence of stress corrosion cracking

Energy Technology Data Exchange (ETDEWEB)

Kozaczek, K.J. [Oak Ridge National Lab., TN (United States); Sinharoy, A.; Ruud, C.O. [Pennsylvania State Univ., University Park, PA (United States); McIlree, A.R. [Electric Power Research Institute, Palo Alto, CA (United States)

1995-12-31

The distributions of elastic stresses/strains in the grain boundary regions were studied by the analytical and the finite element models. The grain boundaries represent the sites where stress concentration occurs as a result of discontinuity of elastic properties across the grain boundary and the presence of second phase particles elastically different from the surrounding matrix grains. A quantitative analysis of those stresses for steels and nickel based alloys showed that the stress concentrations in the grain boundary regions are high enough to cause a local microplastic deformation even when the material is in the macroscopic elastic regime. The stress redistribution as a result of such a plastic deformation was discussed.

Role of grain boundary engineering in the SCC behavior of ferritic-martensitic alloy HT-9

International Nuclear Information System (INIS)

Gupta, G.; Ampornrat, P.; Ren, X.; Sridharan, K.; Allen, T.R.; Was, G.S.

2007-01-01

This paper focuses on the role of grain boundary engineering (GBE) in stress corrosion cracking (SCC) of ferritic-martensitic (F-M) alloy HT-9 in supercritical water (SCW) at 400 deg. C and 500 deg. C. Constant extension rate tensile (CERT) tests were conducted on HT-9 in as-received (AR) and coincident site lattice enhanced (CSLE) condition. Both unirradiated and irradiated specimens (irradiated with 2 MeV protons at 400 deg. C and 500 deg. C to a dose of 7 dpa) were tested. Ferritic-martensitic steel HT-9 exhibited intergranular stress corrosion cracking when subjected to CERT tests in an environment of supercritical water at 400 deg. C and 500 deg. C and also in an inert environment of argon at 500 deg. C. CSL-enhancement reduces grain boundary carbide coarsening and cracking susceptibility in both the unirradiated and irradiated condition. Irradiation enhanced coarsening of grain boundary carbides and cracking susceptibility of HT-9 for both the AR and CSLE conditions. Intergranular (IG) cracking of HT-9 results likely from fracture of IG carbides and seems consistent with the mechanism that coarser carbides worsen cracking susceptibility. Oxidation in combination with wedging stresses is the likely cause of the observed environmental enhancement of high temperature IG cracking in HT-9

Grain boundary chromium concentration effects on the IGSCC and IASCC of austenitic stainless steels

International Nuclear Information System (INIS)

Bruemmer, S.M.; Arey, B.W.; Charlot, L.A.

1993-08-01

Comparisons are made between grain boundary composition and intergranular stress corrosion cracking (IGSCC) of 304 and 309 austenitic stainless steels in high-temperature water environments. Chromium depletion had the dominant effect on cracking resistance with the extent of IG cracking controlled by the interfacial chromium concentration. The minimum chromium concentration required to promote cracking was a function of the applied strain rate during slow-strain-rate tensile tests in 288 C air-saturated water. Depletion from bulk levels of 18 wt% to ∼13.5 wt% Cr at grain boundaries prompted 100% IG cracking at a strain rate of 1 x 10 -6 s -1 , while embrittlement was observed with only a slight depletion to ∼17 wt% at 2 x 10 -7 s -1 . Insights into critical interfacial compositions promoting IGSCC are discussed in reference to cracking of irradiated stainless steel nuclear reactor core components

Estimation of grain boundary diffusivity in near-α titanium polycrystals

International Nuclear Information System (INIS)

Brockman, Robert A.; Pilchak, Adam L.; John Porter, W.; John, Reji

2011-01-01

The role of enhanced grain boundary diffusivity in high-temperature diffusion of interstitial elements through metals is widely recognized but poorly characterized in most materials. This paper summarizes an effort to estimate grain boundary diffusivity of oxygen in a near-α titanium alloy, Ti-6Al-2Sn-4Zr-2Mo-0.1Si, by explicitly incorporating microstructure obtained from electron backscatter diffraction into an analytical model. Attention is focused on near-surface diffusion behavior contributing to the rapid ingress of oxygen and possible crack initiation in high-temperature environments.

Grain boundary composition and irradiation-assisted stress corrosion cracking resistance in Type 348 stainless steel

International Nuclear Information System (INIS)

Jacobs, A.J.; Wozadlo, G.P.; Nakata, K.

1994-01-01

Scanning transmission electron microscopy (STEM) analyses, in-reactor swelling mandrel tests, and laboratory constant extension rate tensile (CERT) tests were conducted on nine custom type 348 (UNS S34800) stainless steel (SS) alloys in an attempt to correlate grain boundary composition with irradiation-assisted stress corrosion cracking (IASCC) resistance. Phosphorus (P) enrichment showed the best correlation with in-reactor test results, and chromium (Cr) depletion showed the best correlation with laboratory results. Silicon (Si) and P enrichment were found to depend quantitatively on the bulk concentrations of these elements. The amount of Cr depletion seemed dependent at least partially on the amounts of Si and/or P enrichment. Si and P enrichment and Cr depletion were suppressed by higher carbon (C) contents, such as that present in commercial-purity type 348 SS

In situ TEM study of the effect of M/A films at grain boundaries on crack propagation in an ultra-fine acicular ferrite pipeline steel

International Nuclear Information System (INIS)

Zhong Yong; Xiao Furen; Zhang Jingwu; Shan Yiyin; Wang Wei; Yang Ke

2006-01-01

Microstructural refinement of structural materials generally improves their tensile properties but deteriorates their fatigue properties. However, pipeline steels with ultra-fine acicular ferrite (UFAF) possess not only high strength and toughness, but also a low fatigue-crack-growth rate (FCGR) and long fatigue-propagation life. In this paper, the micro-fracture mechanisms of an UFAF pipeline steel are investigated by in situ tensile testing in a transmission electron microscope. The results indicate that a grain-boundary-film structure composed of martensite/austenite could significantly influence the crack propagating behavior in the UFAF steel, consequently lowering the FCGR by enhancing roughness-induced crack closure during cyclic loading

Evaluation of deformation behavior of in grains and grain boundaries of L-grade austenitic stainless steel 316L

International Nuclear Information System (INIS)

Nagashima, Nobuo; Hayakawa, Masao; Tsukada, Takashi; Kaji, Yoshiyuki; Miwa, Yukio; Ando, Masami; Nakata, Kiyotomo

2009-01-01

In this study, micro-hardness tests and AFM observations were performed on SUS 316L low-carbon austenitic stainless steel pre-strained by cold rolling to investigate its deformation behavior. The following results were obtained. Despite the fact that the same plastic strain was applied, post-tensile test AFM showed narrower slip-band spacing in a reduction in area of 30% cold-rolled specimen than the unrolled specimen. Concentrated slip bands were observed near grain boundaries. These were presumably due to slip blocking at grain boundaries. SCC sensitivity increased at a hardness of 300 or higher, the frequency occurrence of a hardness of 300 or higher in the micro-hardness measurements was compared. The micro-hardness did not exceed 300 both within grains and at grain boundaries in the unrolled and up to a reduction in area of 20% cold-rolled specimens of before and after the tensile tests. Micro-hardness exceeding 300 was found to occur frequently in after tensile test specimens with a reduction in area of 30% or more, particularly at grain boundaries. It is suggested that the nonuniformity of deformation at grain boundaries plays an important role of IGSCC crack propagation mechanism of low-carbon austenitic stainless steel. (author)

Grain Boundary Segregation in Metals

CERN Document Server

Lejcek, Pavel

2010-01-01

Grain boundaries are important structural components of polycrystalline materials used in the vast majority of technical applications. Because grain boundaries form a continuous network throughout such materials, their properties may limit their practical use. One of the serious phenomena which evoke these limitations is the grain boundary segregation of impurities. It results in the loss of grain boundary cohesion and consequently, in brittle fracture of the materials. The current book deals with fundamentals of grain boundary segregation in metallic materials and its relationship to the grain boundary structure, classification and other materials properties.

Grain boundary migration

International Nuclear Information System (INIS)

Dimitrov, O.

1975-01-01

Well-established aspects of grain-boundary migration are first briefly reviewed (influences of driving force, temperature, orientation and foreign atoms). Recent developments of the experimental methods and results are then examined, by considering the various driving of resistive forces acting on grain boundaries. Finally, the evolution in the theoretical models of grain-boundary motion is described, on the one hand for ideally pure metals and, on the other hand, in the presence of solute impurity atoms [fr

An Atomistic Modeling Study of Alloying Element Impurity Element, and Transmutation Products on the cohesion of A Nickel E5 {001} Twist Grain Boundary

International Nuclear Information System (INIS)

Young, G.A. Jr.; Najafabadi, R.; Strohmayer, W.; Baldrey, D.G.; Hamm, B.; Harris, J.; Sticht, J.; Wimmer, E.

2003-01-01

Atomistic modeling methods were employed to investigate the effects of impurity elements on the metallurgy, irradiation embrittlement, and environmentally assisted cracking of nickel-base alloys exposed to nuclear environments. Calculations were performed via ab initio atomistic modeling methods to ensure the accuracy and reliability of the results. A Griffith-type fracture criterion was used to quantitatively assess the effect of elements or element pairs on the grain boundary cohesive strength. In order of most embrittling to most strengthening, the elements are ranked as: He, Li, S, H, C, Zr, P, Fe, Mn, Nb, Cr, and B. Helium is strongly embrittling (-2.04 eV/atom lowering of the Griffith energy), phosphorus has little effect on the grain boundary (0.1 eV/atom), and boron offers appreciable strengthening (1.03 eV/atom increase in the Griffith energy). Calculations for pairs of elements (H-Li, H-B, H-C, H-P, and H-S) show little interaction on the grain boundary cohesive energy, so that for the conditions studied, linear superposition of elemental effects is a good approximation. These calculations help explain metallurgical effects (e.g. why boron can strengthen grain boundaries), irradiation embrittlement (e.g. how boron transmutation results in grain boundary embrittlement), as well as how grain boundary impurity elements can affect environmentally assisted cracking (i.e. low temperature crack propagation and stress corrosion cracking) of nickel-base alloys

Microstructure and stress corrosion cracking of the fusion boundary region in an alloy 182-A533B low alloy steel dissimilar weld joint

International Nuclear Information System (INIS)

Hou, Juan; Peng, Qunjia; Takeda, Yoichi; Kuniya, Jiro; Shoji, Tetsuo

2010-01-01

Research highlights: → High-angle misorientation at FB, type-II and type-I boundaries. → Highest residual strain and hardness in the zone between FB and type-II boundary. → Type-II and type-I boundaries had lower resistance to SCC growth than the FB. → Crack growth blunted by pitting at the FB. → Reactivation of crack growth from the pitting by oxidation along the grain boundary. - Abstract: Stress corrosion cracking (SCC) in the fusion boundary (FB) region of an Alloy 182-A533B low alloy steel (LAS) dissimilar weld joint in high temperature water doped with sulfate was studied following a microstructure characterization of the FB region. The microstructure characterization suggested the type-II and type-I boundaries in the dilution zone (DZ) adjacent to the FB had lower resistance to SCC growth than the FB. Crack propagating perpendicular to the FB in the DZ was observed to be blunted by pitting at the FB, followed by the reactivation from the pitting by localized oxidation along the grain boundary in LAS.

Swelling and gas release of grain-boundary pores in uranium dioxide

International Nuclear Information System (INIS)

Schrire, D.I.

1983-12-01

The swelling and gas release of overpressured grain boundary pores is sintered unirradiated uranium dioxide were investigated under isothermal conditions. The pores became overpressured when the ambient pressure was reduced, and the excess pressure driving force caused growth and interconnection of the pores, leading to eventual gas release. Swelling was measured continuously by a linear variable differential transformer, and open and closed porosity fractions were determined after the tests by immersion density and quantitative microscopy measurements. The sinter porosity consisted of pores situated on grain faces, grain edges, and grain corners. Isolated pores maintained their equilibrium shape while growing, without any measurable change in dihedral angle. Interconnection occurred predominantly along grain edges, without any evidence of pore sharpening or crack propagation at low driving forces. Extensive open porosity occurred at a threshold density of about 85% TD. There was an almost linear dependence of the initial swelling rate on the driving force, with an activation energy of 200+- 8 kJ/mole, in good agreement with published values of the activation energy for grain boundary diffusion

Improvement of corrosion resistance in austenitic stainless steel by grain boundary character distribution control

International Nuclear Information System (INIS)

Wang, Yun; Kaneda, Junya; Kasahara, Shigeki; Shigenaka, Naoto

2012-01-01

Strauss test, Coriou test and Huey test were conducted on a Type 316L austenitic stainless steel. Improvement in grain boundary corrosion resistance was verified after raising low Σ coincidence site lattice (CSL) grain boundary (GB) frequency by controlling grain boundary character distribution (GBCD). During crevice corrosion test under gamma-ray irradiation, initiation frequency of GB corrosion after GBCD controlled specimens decreased to 1/10 of GBCD uncontrolled counterpart along with lower depth of corrosion. Stress corrosion cracking (SCC) propagation rate of GBCD controlled specimen decreased to less than 1/2 of GBCD uncontrolled specimen in high temperature and high pressure water. Based on these results, we expect that GBCD control will improve corrosion resistance of austenitic material in a wide range of application and environment. (author)

Stress corrosion cracking of stainless steels under deaerated high-temperature water. Influence of grain boundary carbide precipitation, and effect of Mo and Cr in alloys

International Nuclear Information System (INIS)

Yamada, Takuyo; Terachi, Takumi; Miyamoto, Tomoki; Arioka, Koji

2007-01-01

In order to evaluate the influence of grain boundary carbide on IGSCC susceptibility of stainless steel, crack growth rate tests were performed under deaerated or 0.3 ppm hydrogenated pure water environments at 320degC using half-inch compact tension (CT) specimens. In our previous report, CT testing showed that the susceptibility of CW316 to IGSCC was inhibited by the precipitation of grain boundary carbide under these environments. The result suggested quite different behavior from that in an oxygenated high-temperature water environment. In this study, the influence of (1) Mo and (2) Cr content in alloys, and (3) Cr depletion at the grain boundary on the IGSCC growth behavior in stainless steel was studied at 320degC under a 0.3-ppm hydrogenated pure-water environment. As a result, (1) IGSCC growth was observed on non-sensitized CW20%316, CW20%304, CW20%20Cr316, and CW20%20Cr304 under a 0.3-ppm hydrogenated pure-water environment at 320degC. (2) IGSCC growth was not observed for sensitized CW20%316 and CW20%304 (at 650degC x 48 or 24 h) and healing heat-treated CW20%316 (at 650degC x 48 h + 900degC x 0.5 h) under the same water environment. (3) The susceptibility of high Cr content materials (CW20%20Cr316 and CW20% 20Cr304) to IGSCC resistance was improved that of conventional CW316 and CW304 under the same water environment. The higher Cr content is effective in inhibiting susceptibility to IGSCC, but the inhibiting effect of Cr content is smaller than the effect of the grain boundary carbide. (4) These differences in IGSCC suggest that grain boundary carbide has a beneficial effect in improving IGSCC resistance, at least in a 0.3-ppm hydrogenated pure-water environment, despite the Mo content and Cr depletion at grain boundary. (author)

Pressure effect on grain boundary diffusion

International Nuclear Information System (INIS)

Smirnova, E.S.; Chuvil'deev, V.N.

1997-01-01

The influence of hydrostatic pressure on grain boundary diffusion and grain boundary migration in metallic materials is theoretically investigated. The model is suggested that permits describing changes in activation energy of grain boundary self-diffusion and diffusion permeability of grain boundaries under hydrostatic pressure. The model is based on the ideas about island-type structure of grain boundaries as well as linear relationship of variations in grain boundary free volume to hydrostatic pressure value. Comparison of theoretical data with experimental ones for a number of metals and alloys (α-Zr, Sn-Ge, Cu-In with Co, In, Al as diffusing elements) shows a qualitative agreement

Ferroelectric domain continuity over grain boundaries

DEFF Research Database (Denmark)

Mantri, Sukriti; Oddershede, Jette; Damjanovic, Dragan

2017-01-01

Formation and mobility of domain walls in ferroelectric materials is responsible for many of their electrical and mechanical properties. Domain wall continuity across grain boundaries has been observed since the 1950's and is speculated to affect the grain boundary-domain interactions, thereby...... impacting macroscopic ferroelectric properties in polycrystalline systems. However detailed studies of such correlated domain structures across grain boundaries are limited. In this work, we have developed the mathematical requirements for domain wall plane matching at grain boundaries of any given...... orientation. We have also incorporated the effect of grain boundary ferroelectric polarization charge created when any two domains meet at the grain boundary plane. The probability of domain wall continuity for three specific grain misorientations is studied. Use of this knowledge to optimize processing...

Effects of Grain Boundary Microconstituents on Heat-Affected Zone Cracks in a Mar-M004 Weldment

Directory of Open Access Journals (Sweden)

Tai-Cheng Chen

2018-03-01

Full Text Available Repair-welding of a cast Mar-M004 superalloy by gas tungsten arc welding was performed. Liquation cracks of the heat-affected zone (HAZ in a Mar-M004 weldment were closely related to the presence of low-melting constituents along the solidified boundaries in the weld. The metal carbides (MC, M3B2 and M5B3 borides, Ni7(Hf,Zr2 intermetallic compounds, and γ-γ′colonies were found at the interdendritic boundaries. Fine boride precipitates mixed with intermetallic compounds in lamellar form were more likely to liquate during repair-welding. The melting of borides and intermetallic compounds in 1180 °C/4 h treated samples confirmed the poor weldability of the Mar-M004 superalloy due to enhanced liquation cracking. In addition to boride formation, fractographs of liquation cracks revealed strong segregation of B element in carbides and intermetallics, which might further lower the solidus temperature of the repair weld.

Grain boundary segregation and intergranular failure

International Nuclear Information System (INIS)

White, C.L.

1980-01-01

Trace elements and impurities often segregate strongly to grain boundaries in metals and alloys. Concentrations of these elements at grain boundaries are often 10 3 to 10 5 times as great as their overall concentration in the alloy. Because of such segregation, certain trace elements can exert a disproportionate influence on material properties. One frequently observed consequence of trace element segregation to grain boundaries is the occurrence of grain boundary failure and low ductility. Less well known are incidences of improved ductility and inhibition of grain boundary fracture resulting from trace element segregation to grain boundaries in certain systems. An overview of trace element segregation and intergranular failure in a variety of alloy systems as well as preliminary results from studies on Al 3% Li will be presented

Computational multiscale modeling of intergranular cracking

International Nuclear Information System (INIS)

Simonovski, Igor; Cizelj, Leon

2011-01-01

A novel computational approach for simulation of intergranular cracks in a polycrystalline aggregate is proposed in this paper. The computational model includes a topological model of the experimentally determined microstructure of a 400 μm diameter stainless steel wire and automatic finite element discretization of the grains and grain boundaries. The microstructure was spatially characterized by X-ray diffraction contrast tomography and contains 362 grains and some 1600 grain boundaries. Available constitutive models currently include isotropic elasticity for the grain interior and cohesive behavior with damage for the grain boundaries. The experimentally determined lattice orientations are employed to distinguish between resistant low energy and susceptible high energy grain boundaries in the model. The feasibility and performance of the proposed computational approach is demonstrated by simulating the onset and propagation of intergranular cracking. The preliminary numerical results are outlined and discussed.

Toward a better understanding of strain incompatibilities at grain boundaries in the analysis of fatigue crack initiation at low temperature in the UdimetTM 720 Li superalloy

Directory of Open Access Journals (Sweden)

Larrouy Baptiste

2014-01-01

Full Text Available Low cycle fatigue properties of polycrystalline γ-γ′ Ni-based superalloys are dependent on many factors such as temperature, environment, grain size and distribution of the strengthening phases. Under LCF conditions at intermediate temperatures, an intergranular crack initiation could be observed. In this paper we propose to analyze the local conditions favouring such an intergranular cracking mode considering the high strength C&W UdimetTM720 Li alloy, widely used for manufacturing high pressure turbine disk for aeroengine applications. Tensile and fatigue tests were performed in air in the 20–465 ∘C range of temperature on micro-samples in order to focus on plasticity and damage processes developed near grain boundaries. A special attention was paid on the slip transfer between neighbouring grains taking into account their local crystallographic orientations. In some specific crystallographic configurations, small zones were detected at the tip of slip bands presenting an intense elastic/plastic activity. Although they are limited in size, they are associated to local crystalline rotations. High levels of local strain/stress were also evaluated in these volumes using an EBSD pattern cross correlation technique. The development of such specific zones was investigated at different stages of the tensile and LCF behaviour and was identified as leading to micro-cracks initiation for both solicitation modes.

Evolution of grain boundary character distributions in alloy 825 tubes during high temperature annealing: Is grain boundary engineering achieved through recrystallization or grain growth?

International Nuclear Information System (INIS)

Bai, Qin; Zhao, Qing; Xia, Shuang; Wang, Baoshun; Zhou, Bangxin; Su, Cheng

2017-01-01

Grain boundary engineering (GBE) of nickel-based alloy 825 tubes was carried out with different cold drawing deformations by using a draw-bench on a factory production line and subsequent annealing at various temperatures. The microstructure evolution of alloy 825 during thermal-mechanical processing (TMP) was characterized by means of the electron backscatter diffraction (EBSD) technique to study the TMP effects on the grain boundary network and the evolution of grain boundary character distributions during high temperature annealing. The results showed that the proportion of ∑ 3 n coincidence site lattice (CSL) boundaries of alloy 825 tubes could be increased to > 75% by the TMP of 5% cold drawing and subsequent annealing at 1050 °C for 10 min. The microstructures of the partially recrystallized samples and the fully recrystallized samples suggested that the proportion of low ∑ CSL grain boundaries depended on the annealing time. The frequency of low ∑ CSL grain boundaries increases rapidly with increasing annealing time associating with the formation of large-size highly-twinned grains-cluster microstructure during recrystallization. However, upon further increasing annealing time, the frequency of low ∑ CSL grain boundaries decreased markedly during grain growth. So it is concluded that grain boundary engineering is achieved through recrystallization rather than grain growth. - Highlights: •The grain boundary engineering (GBE) is applicable to 825 tubes. •GBE is achieved through recrystallization rather than grain growth. •The low ∑ CSL grain boundaries in 825 tubes can be increased to > 75%.

A grain-boundary diffusion model of dynamic grain growth during superplastic deformation

International Nuclear Information System (INIS)

Kim, Byung-Nam; Hiraga, Keijiro; Sakka, Yoshio; Ahn, Byung-Wook

1999-01-01

Dynamic grain growth during superplastic deformation is modelled on the basis of a grain-boundary diffusion mechanism. On the grain boundary where a static and a dynamic potential difference coexist, matter transport along the boundary is assumed to contribute to dynamic grain growth through depositing the matter on the grain surface located opposite to the direction of grain-boundary migration. The amount of the diffusive matter during deformation is calculated for an aggregate of spherical grains and is converted to the increment of mean boundary migration velocity. The obtained relationship between the strain rate and the dynamic grain growth rate is shown to be independent of deformation mechanisms, provided that the grain growth is controlled by grain-boundary diffusion. The strain dependence, strain-rate dependence and temperature dependence of grain growth predicted from this model are consistent with those observed in superplastic ZrO 2 -dispersed Al 2 O 3

Effect of residual stress and hardening on grain boundary sliding in welds of low-carbon stainless steels with surface machining

International Nuclear Information System (INIS)

Mori, Hiroaki; Mochizuki, Masahito; Nishimoto, Kazutoshi; Katsuyama, Jinya

2007-01-01

To clarify the effects of residual stress and hardening on intergranular stress corrosion cracking (IGSCC) behavior in welds of low-carbon austenitic stainless steels with surface machining, residual stress and hardness were evaluated by 3-dimentional thermo elastic-plastic analysis and grain boundary sliding behavior was examined using a constant strain rate tensile test. It was revealed that grain boundary sliding occurred in the material at 561K by the tensile test with the numerically simulated tensile residual stress due to welding and surface machining. In addition, it was clarified that the grain boundary energy is raised by the grain boundary sliding. On the basis of these results, it was concluded that the cause of IGSCC in the welds of low-carbon austenitic stainless steel with surface hardening is the increase in grain boundary energy due to grain boundary sliding accelerated by residual stress of multi pass welding and surface hardening. (author)

Effect of residual stress and hardening on grain boundary sliding in welds of low-carbon stainless steels with surface machining

International Nuclear Information System (INIS)

Mori, Hiroaki; Mochizuki, Masahito; Nishimoto, Kazutoshi; Katsuyama, Jinya

2008-01-01

To clarify the effects of residual stress and hardening on intergranular stress corrosion cracking (IGSCC) behavior in welds of low-carbon austenitic stainless steels with surface machining, residual stress and hardness were evaluated by 3-dimentional thermo elastic-plastic analysis and grain boundary sliding behavior was examined using a constant strain rate tensile test. It was revealed that grain boundary sliding occurred in the material at 561K by the tensile test with the numerically simulated tensile residual stress due to multi-pass welding and surface machining. In addition, it was clarified that the grain boundary energy is raised by the grain boundary sliding. On the basis of these results, it was concluded that the cause of IGSCC in the welds of low-carbon austenitic stainless steel with surface hardening is the increase in grain boundary energy due to grain boundary sliding induced by residual stress of multi pass welding and surface hardening. (author)

On the elastic stiffness of grain boundaries

International Nuclear Information System (INIS)

Zhang Tongyi; Hack, J.E.

1992-01-01

The elastic softening of grain boundaries is evaluated from the starting point of grain boundary energy. Several examples are given to illustrate the relationship between boundary energy and the extent of softening. In general, a high grain boundary energy is associated with a large excess atomic volume in the boundary region. The consequent reduction in grain boundary stiffness can represent a significant fraction of that observed in bulk crystals. (orig.)

Diffusion mechanisms in grain boundaries in solids

International Nuclear Information System (INIS)

Peterson, N.L.

1982-01-01

A critical review is given of our current knowledge of grain-boundary diffusion in solids. A pipe mechanism of diffusion based on the well-established dislocation model seems most appropriate for small-angle boundaries. Open channels, which have atomic configurations somewhat like dislocation cores, probably play a major role in large-angle grain-boundary diffusion. Dissociated dislocations and stacking faults are not efficient paths for grain-boundary diffusion. The diffusion and computer modeling experiments are consistent with a vacancy mechanism of diffusion by a rather well-localized vacancy. The effective width of a boundary for grain-boundary diffusion is about two atomic planes. These general features of grain-boundary diffusion, deduced primarily from experiments on metals, are thought to be equally applicable for pure ceramic solids. The ionic character of many ceramic oxides may cause some differences in grain-boundary structure from that observed in metals, resulting in changes in grain-boundary diffusion behavior. 72 references, 5 figures

Measuring Crack Length in Coarse Grain Ceramics

Science.gov (United States)

Salem, Jonathan A.; Ghosn, Louis J.

2010-01-01

Due to a coarse grain structure, crack lengths in precracked spinel specimens could not be measured optically, so the crack lengths and fracture toughness were estimated by strain gage measurements. An expression was developed via finite element analysis to correlate the measured strain with crack length in four-point flexure. The fracture toughness estimated by the strain gaged samples and another standardized method were in agreement.

Stress corrosion cracking of Alloy 82 in hydrogenated steam at 400 C: influence of microstructural and mechanical parameters on initiation of SCC cracks

International Nuclear Information System (INIS)

Chaumun, Elizabeth

2016-01-01

In Pressurize Water Reactors (PWR), Stress Corrosion Cracking (SCC) is the mean degradation mode of components pieced together by welding. Nickel based alloys are, among others, used in dissimilar metal welding (DMW). International report showed only 3 cracking cases in Alloy 82 out of 300 cracking cases concerned on nickel based alloys DMW in primary water circuit. The aim of this study is to identify which microstructural and local mechanism parameters at microstructure scale provide the initiation of SCC cracks. Characterizations performed on specimen surface to identify those parameters are composed of chemical composition analysis and EBSD analysis (Electron Back-Scattered Diffraction) to know the morphology and the crystallography of grains for microstructure features on one hand, and experimental strain fields measured by Digital Imaging Correlation (DIC) of gold micro-grids deposed by electronic lithography on U-bend specimen surface and stress fields calculated along grains boundaries by finite element for local mechanical features on the other hand. The correlation between those characterizations and localization of initiation sites of SCC cracks, obtained on U-bend specimens tested in autoclave in hydrogen steam water at 400 C and 188 bar for 3500 hours, confirmed the susceptibility of the Alloy 82 in SCC conditions with intergranular SCC cracks. The perpendicular position to the loading direction (mode I) is the worst conditions for grains boundary in SCC. The others points concern the chemical composition (precipitation, impurities) around grain boundary and the grain boundary type which is more susceptible when it is a High Angle Grain Boundary. It is following by the mechanical characterization (stress and strain gradient) along grain boundary. This methodology can be used to other material and helped to define which microstructural and mechanical parameter can be define the initiation of SCC cracks. (author) [fr

Grain-boundary engineering applied to grain growth in a high temperature material

International Nuclear Information System (INIS)

Huda, Z.

1993-01-01

Crystallography of grain boundaries are determined for a high temperature material, before and after grain growth processes, so as to study the induction of special properties useful for application in components of a gas-turbine engine. The philosophy of grain-boundary engineering is applied to grain growth in APK-6, a powder formed nickel-base superalloy so as to establish the possible structure/property relationships. The alloy in the as received condition is shown to possess a strong texture and contained coincident site lattices (CSL) boundaries with most boundaries having sigma values in the range of 3 > sigma > 25. A normal grain-growth heat treatment result in a good population of low angle grain boundaries, and drastically reduces the proportion of CSL boundaries. A strong [011] annealing texture is observed after an intermediate grain growth; most grain boundaries, here, tend to be high angle indicating a possibility of possessing special properties. (author)

Analysis of specific factors causing RCS pressure boundary cracking

International Nuclear Information System (INIS)

Song, Taek-Ho; Jeong, Il-Seok

2007-01-01

As nuclear power plants become aged, pressure boundary integrity has become so important issue in domestic and foreign nuclear industry that many related research projects are on-going. KEPRI is going to embark a new research project for managing and preventing these kinds of cracks in nuclear power plants (NPPs). Many nuclear power plants experienced pressure boundary stress corrosion cracking (SCC) and shut downed because of it. In USA, V.C. Summer plant experienced reactor coolant pipe SCC near reactor outlet nozzle and Davis Vesse plant experienced reactor head crack around penetration pipe which is used to control rod drive mechanism. In this paper, RCS pressure boundary cracking cases and corrosion potential have been studied to find out what are the specific factors that have affected crack initiations in the reactor coolant pressure boundaries

Grain Boundary Engineering of Electrodeposited Thin Films

DEFF Research Database (Denmark)

Alimadadi, Hossein

is not yet well-understood. This, at least partly, owes to the lack of robust characterization methods for analyzing the nature of grain boundaries including the grain boundary plane characteristics, until recently. In the past decade, significant improvements in the 2-dimensional and 3-dimensional analysis...... of the favorable boundaries that break the network of general grain boundaries. Successful dedicated synthesis of a textured nickel film fulfilling the requirements of grain boundary engineered materials, suggests improved boundary specific properties. However, the textured nickel film shows fairly low...... thermal stability and growth twins annihilate by thermal treatment at 600 degree C. In contrast, for oriented grains, growth nano-twins which are enveloped within columnar grains show a high thermal stability even after thermal treatment at 600 degree C. In order to exploit the high thermal...

Concurrent grain boundary motion and grain rotation under an applied stress

International Nuclear Information System (INIS)

Gorkaya, Tatiana; Molodov, Konstantin D.; Molodov, Dmitri A.; Gottstein, Guenter

2011-01-01

Simultaneous shear coupling and grain rotation were observed experimentally during grain boundary migration in high-purity Al bicrystals subjected to an external mechanical stress at elevated temperatures. This behavior is interpreted in terms of the structure of the investigated planar 18.2 o non-tilt grain boundary with a 20 o twist component. For characterization of the grain rotation after annealing under stress the bicrystal surface topography across the boundary was measured by atomic force microscopy. The temperature dependence of the boundary migration rate was measured and the migration activation energy determined.

Measurement and modeling of radiation-induced grain boundary grain boundary segregation in stainless steels

International Nuclear Information System (INIS)

Bruemmer, S.M.; Charlot, L.A.; Simonen, E.P.

1995-08-01

Grain boundary radiation-induced segregation (RIS) in Fe-Ni-Cr stainless alloys has been measured and modelled as a function of irradiation temperature and dose. Heavy-ion irradiation was used to produce damage levels from 1 to 20 displacements per atom (dpa) at temperatures from 175 to 550 degrees C. Measured Fe, Ni, and Cr segregation increased sharply with irradiation dose (from 0 to 5 dpa) and temperature (from 175 to about 350 degrees C). However, grain boundary concentrations did not change significantly as dose or temperatures were further increased. Impurity segregation (Si and P) was also measured, but only Si enrichment appeared to be radiation-induced. Grain boundary Si levels peaked at an intermediate temperature of ∼325 degrees C reaching levels of ∼8 at. %. Equilibrium segregation of P was measured in the high-P alloys, but interfacial concentration did not increase with irradiation exposure. Examination of reported RIS in neutron-irradiated stainless steels revealed similar effects of irradiation dose on grain boundary compositional changes for both major alloying and impurity element's. The Inverse Kirkendall model accurately predicted major alloying element RIS in ion- and neutron-irradiated alloys over the wide range of temperature and dose conditions. In addition, preliminary calculations indicate that the Johnson-Lam model can reasonably estimate grain boundary Si enrichment if back diffusion is enhanced

A comparison of grain boundary evolution during grain growth in fcc metals

International Nuclear Information System (INIS)

Brons, J.G.; Thompson, G.B.

2013-01-01

Grain growth of Cu and Ni thin films, subjected to in situ annealing within a transmission electron microscope, has been quantified using a precession-enhanced electron diffraction technique. The orientation of each grain and its misorientation with respect to its neighboring grains were calculated. The Cu underwent grain growth that maintained a monomodal grain size distribution, with its low-angle grain boundaries being consumed, and the Ni exhibited grain size distributions in stages, from monomodal to bimodal to monomodal. The onset of Ni’s abnormal grain growth was accompanied by a sharp increase in the Σ3 and Σ9 boundary fractions, which is attributed to simulation predictions of their increased mobility. These Σ3 and Σ9 fractions then dropped to their room temperature values during the third stage of grain growth. In addition to the Σ3 and Σ9 boundaries, the Σ5 and Σ7 boundaries also underwent an increase in total boundary fraction with increasing temperature in both metals

Grain boundary motion and grain rotation in aluminum bicrystals: recent experiments and simulations

International Nuclear Information System (INIS)

Molodov, D A; Barrales-Mora, L A; Brandenburg, J-E

2015-01-01

The results of experimental and computational efforts over recent years to study the motion of geometrically different grain boundaries and grain rotation under various driving forces are briefly reviewed. Novel in-situ measuring techniques based on orientation contrast imaging and applied simulation techniques are described. The experimental results obtained on specially grown aluminum bicrystals are presented and discussed. Particularly, the faceting and migration behavior of low angle grain boundaries under the curvature force is addressed. In contrast to the pure tilt boundaries, which remained flat/faceted and immobile during annealing at elevated temperatures, mixed tilt-twist boundaries readily assumed a curved shape and steadily moved under the capillary force. Computational analysis revealed that this behavior is due to the inclinational anisotropy of grain boundary energy, which in turn depends on boundary geometry. The shape evolution and shrinkage kinetics of cylindrical grains with different tilt and mixed boundaries were studied by molecular dynamics simulations. The mobility of low angle <100> boundaries with misorientation angles higher than 10°, obtained by both the experiments and simulations, was found not to differ from that of the high angle boundaries, but decreases essentially with further decrease of misorientation. The shape evolution of the embedded grains in simulations was found to relate directly to results of the energy computations. Further simulation results revealed that the shrinkage of grains with pure tilt boundaries is accompanied by grain rotation. In contrast, grains with the tilt-twist boundaries composed of dislocations with the mixed edge-screw character do not rotate during their shrinkage. Stress driven boundary migration in aluminium bicrystals was observed to be coupled to a tangential translation of the grains. The activation enthalpy of high angle boundary migration was found to vary non-monotonically with

Combined measurement of surface, grain boundary and lattice diffusion coefficients on olivine bi-crystals

Science.gov (United States)

Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes

2014-05-01

measurements. To evaluate the obtained diffusion profiles we adapted the isolated grain boundary model, first proposed by Fisher (1951) to match several observations: (i) Anisotropic diffusion in forsterite, (ii) fast diffusion along the grain boundary, (iii) fast diffusion on the surface of the sample. The latter process is needed to explain an additional flux of material from the surface into the grain boundary. Surface and grain boundary diffusion coefficients are on the order of 10000 times faster than diffusion in the lattice. Another observation was that in some regions the diffusion profiles in the lattice were greatly extended. TEM observations suggest here that surface defects (nano-cracks, ect.) have been present, which apparently enhanced the diffusion through the bulk lattice. Dohmen, R., & Milke, R. (2010). Diffusion in Polycrystalline Materials: Grain Boundaries, Mathematical Models, and Experimental Data. Reviews in Mineralogy and Geochemistry, 72(1), 921-970. Fisher, J. C. (1951). Calculations of Diffusion Penetration Curves for Surface and Grain Boundary Diffusion. Journal of Applied Physics, 22(1), 74-77. Le Claire, A. D. (1951). Grain boundary diffusion in metals. Philosophical Magazine A, 42(328), 468-474.

GRAIN-BOUNDARY PRECIPITATION UNDER IRRADIATION IN DILUTE BINARY ALLOYS

Institute of Scientific and Technical Information of China (English)

S.H. Song; Z.X. Yuan; J. Liu; R.G.Faulkner

2003-01-01

Irradiation-induced grain boundary segregation of solute atoms frequently bring about grain boundary precipitation of a second phase because of its making the solubility limit of the solute surpassed at grain boundaries. Until now the kinetic models for irradiation-induced grain boundary precipitation have been sparse. For this reason, we have theoretically treated grain boundary precipitation under irradiation in dilute binary alloys. Predictions ofγ'-Ni3Si precipitation at grain boundaries ave made for a dilute Ni-Si alloy subjected to irradiation. It is demonstrated that grain boundary silicon segregation under irradiation may lead to grain boundaryγ'-Ni3 Si precipitation over a certain temperature range.

Interactions of impurities with a moving grain boundary

Energy Technology Data Exchange (ETDEWEB)

Bauer, C L [Carnegie-Mellon Univ., Pittsburgh, Pa. (USA)

1975-01-01

Most theories developed to explain interaction of impurities with a moving grain boundary involve a uniform excess impurity concentration distributed along a planar grain boundary. As boundary velocity increases, the excess impurities exert a net drag force on the boundary until a level is reached whereat the drag force no longer can balance the driving force and breakaway of the boundary from these impurities occurs. In this investigation, assumptions of a uniform lateral impurity profile and a planar grain boundary shape are relaxed by allowing both forward and lateral diffusion of impurities in the vicinity of a grain boundary. It is found that the two usual regions (drag of impurities by, and breakaway of a planar grain boundary) are separated by an extensive region wherein a uniform lateral impurity profile and a planar grain boundary shape are unstable. It is suspected that, in this unstable region, grain boundaries assume a spectrum of more complex morphologies and that elucidation of these morphologies can provide the first definitive description of the breakaway process and insight to more complex phenomena such as solid-solution strengthening, grain growth and secondary recrystallization.

Grain boundary corrosion of copper canister material

International Nuclear Information System (INIS)

Fennell, P.A.H.; Graham, A.J.; Smart, N.R.; Sofield, C.J.

2001-03-01

The proposed design for a final repository for spent fuel and other long-lived residues in Sweden is based on the multi-barrier principle. The waste will be encapsulated in sealed cylindrical canisters, which will then be placed in granite bedrock and surrounded by compacted bentonite clay. The canister design is based on a thick cast inner container fitted inside a corrosion-resistant copper canister. During fabrication of the outer copper canisters there will be some unavoidable grain growth in the welded areas. As grains grow they will tend to concentrate impurities within the copper at the new grain boundaries. The work described in this report was undertaken to determine whether there is any possibility of enhanced corrosion at grain boundaries within the copper canister. The potential for grain boundary corrosion was investigated by exposing copper specimens, which had undergone different heat treatments and hence had different grain sizes, to aerated artificial bentonite-equilibrated groundwater with two concentrations of chloride, for increasing periods of time. The degree of grain boundary corrosion was determined by atomic force microscopy (AFM) and optical microscopy. AFM showed no increase in grain boundary 'ditching' for low chloride groundwater. In high chloride groundwater the surface was covered uniformly with a fine-grained oxide. No increases in oxide thickness were observed. No significant grain boundary attack was observed using optical microscopy either. The work suggests that in aerated artificial groundwaters containing chloride ions, grain boundary corrosion of copper is unlikely to adversely affect SKB's copper canisters

The influence of vortex pinning and grain boundary structure on critical currents across grain boundaries in YBa2Cu3Ox

International Nuclear Information System (INIS)

Miller, D. J.

1998-01-01

We have used studies of single grain boundaries in YBCO thin films and bulk bicrystals to study the influence of vortex pinning along a grain boundary on dissipation. The critical current density for transport across grain boundaries in thin films is typically more than an order of magnitude larger than that measured for transport across grain boundaries in bulk samples. For low disorientation angles, the difference in critical current density within the grains that form the boundary can contribute to the substantial differences in current density measured across the boundary. However, substantial differences exist in the critical current density across boundaries in thin film compared to bulk bicrystals even in the higher angle regime in which grain boundary dissipation dominates. The differences in critical current density in this regime can be understood on the basis of vortex pinning along the boundary

The interactions of radiation damage with grain boundaries

International Nuclear Information System (INIS)

King, A.H.

1979-01-01

This thesis reports a theoretical and experimental study of the fundamental effects giving rise to zones adjacent to grain boundaries which are denuded of irradiation-induced damage. The results, however, have significance in the wider field of point-defect absorption (and emission) by grain boundaries. Particular emphasis has been laid upon correlating the point-defect sink behaviour of grain boundaries with their structures and to this end, grain boundaries with periodically repeating structures have been chosen for study. The hypotheses that point-defect absorption is achieved by the climb of grain boundary dislocation spirals, loops and structural arrays have been investigated and firm evidence has been found to support the two latter mechanisms in specific cases. Loops, in particular, have been found to grow only on coherent twin boundary planes. Chapter two of the thesis investigates the crystallographic nature of the possible reactions of point-defects with periodic boundaries and demonstrates that effects such as grain boundary migration and grain translations may be associated with point-defect absorption. Chapter three presents a theoretical study of the effects of elastic interactions between point-defects and grain boundary dislocations and gives predictions of sink strength and bias of a grain boundary as a function of its structure. Chapter four consists of experimental examples of grain boundaries observed during and after irradiation. Chapter five discusses the results of chapters two, three and four considering their implications for the various hypotheses and presents the conclusions of the thesis and some suggestions for further work. (author)

Stress-assisted grain growth in nanocrystalline metals: Grain boundary mediated mechanisms and stabilization through alloying

International Nuclear Information System (INIS)

Zhang, Yang; Tucker, Garritt J.; Trelewicz, Jason R.

2017-01-01

The mechanisms of stress-assisted grain growth are explored using molecular dynamics simulations of nanoindentation in nanocrystalline Ni and Ni-1 at.% P as a function of grain size and deformation temperature. Grain coalescence is primarily confined to the high stress region beneath the simulated indentation zone in nanocrystalline Ni with a grain size of 3 nm. Grain orientation and atomic displacement vector mapping demonstrates that coalescence transpires through grain rotation and grain boundary migration, which are manifested in the grain interior and grain boundary components of the average microrotation. A doubling of the grain size to 6 nm and addition of 1 at.% P eliminates stress-assisted grain growth in Ni. In the absence of grain coalescence, deformation is accommodated by grain boundary-mediated dislocation plasticity and thermally activated in pure nanocrystalline Ni. By adding solute to the grain boundaries, the temperature-dependent deformation behavior observed in both the lattice and grain boundaries inverts, indicating that the individual processes of dislocation and grain boundary plasticity will exhibit different activity based on boundary chemistry and deformation temperature.

Grain Boundaries From Theory to Engineering

CERN Document Server

Priester, Louisette

2013-01-01

Grain boundaries are a main feature of crystalline materials. They play a key role in determining the properties of materials, especially when grain size decreases and even more so with the current improvements of  processing tools and methods that allow us to control various elements in a polycrystal. This book presents the theoretical basis of the study of  grain boundaries and aims to open up new lines of research in this area. The treatment is light on mathematical approaches while emphasizing practical examples; the issues they raise are discussed with reference to theories. The general approach of the book has two main goals: to lead the reader from the concept of ‘ideal’ to ‘real’ grain boundaries; to depart from established knowledge and address the opportunities emerging through "grain boundary engineering",  the control of morphological and crystallographic features that affect material properties. The book is divided in three parts:  I ‘From interganular order to disorder’ deals wit...

Grain boundaries in high temperature superconductors

NARCIS (Netherlands)

Hilgenkamp, Johannes W.M.; Mannhart, J.

2002-01-01

Since the first days of high-Tc superconductivity, the materials science and the physics of grain boundaries in superconducting compounds have developed into fascinating fields of research. Unique electronic properties, different from those of the grain boundaries in conventional metallic

Significance of grain boundaries and stacking faults on hydrogen storage properties of Mg2Ni intermetallics processed by high-pressure torsion

International Nuclear Information System (INIS)

Hongo, Toshifumi; Edalati, Kaveh; Arita, Makoto; Matsuda, Junko; Akiba, Etsuo; Horita, Zenji

2015-01-01

Mg 2 Ni intermetallics are processed using three different routes to produce three different microstructural features: annealing at high temperature for coarse grain formation, severe plastic deformation through high-pressure torsion (HPT) for nanograin formation, and HPT processing followed by annealing for the introduction of stacking faults. It is found that both grain boundaries and stacking faults are significantly effective to activate the Mg 2 Ni intermetallics for hydrogen storage at 423 K (150 °C). The hydrogenation kinetics is also considerably enhanced by the introduction of large fractions of grain boundaries and stacking faults while the hydrogenation thermodynamics remains unchanged. This study shows that, similar to grain boundaries and cracks, stacking faults can act as quick pathways for the transportation of hydrogen in the hydrogen storage materials

Towards realistic molecular dynamics simulations of grain boundary mobility

International Nuclear Information System (INIS)

Zhou, J.; Mohles, V.

2011-01-01

In order to investigate grain boundary migration by molecular dynamics (MD) simulations a new approach involving a crystal orientation-dependent driving force has been developed by imposing an appropriate driving force on grain boundary atoms and enlarging the effective range of driving force. The new approach has been validated by the work of the driving force associated with the motion of grain boundaries. With the new approach the relation between boundary migration velocity and driving force is found to be nonlinear, as was expected from rate theory for large driving forces applied in MD simulations. By evaluating grain boundary mobility nonlinearly for a set of symmetrical tilt boundaries in aluminum at high temperature, high-angle grain boundaries were shown to move much faster than low-angle grain boundaries. This agrees well with experimental findings for recrystallization and grain growth. In comparison with the available data the simulated mobility of a 38.21 o Σ7 boundary was found to be significantly lower than other MD simulation results and comparable with the experimental values. Furthermore, the average volume involved during atomic jumps for boundary migration is determined in MD simulations for the first time. The large magnitude of the volume indicates that grain boundary migration is accomplished by the correlated motion of atom groups.

Fracture toughness of WWER Uranium dioxide fuel pellets with various grain size

International Nuclear Information System (INIS)

Sivov, R.; Novikov, V.; Mikheev, E.; Fedotov, A.

2015-01-01

Uranium dioxide fuel pellets with grain sizes 13, 26, and 33 μm for WWER were investigated in the present work in order to determine crack formation and the fracture toughness.The investigation of crack formation in uranium oxide fuel pellets of the WWER-types showed that Young’s modulus and the microhardness of polycrystalline samples increase with increasing grain size, while the fracture toughness decreases. Characteristically, radial Palmqvist cracks form on the surface of uranium dioxide pellets for loads up to 1 kg. Transgranular propagation of cracks over distances several-fold larger than the length of the imprint diagonal is observed in pellets with large grains and small intragrain pores. Intergranular propagation of cracks along grain boundaries with branching occurs in pellets with small grains and low pore concentration on the grain boundaries. Blunting on large pores and at breaks in direction does not permit the cracks to reach a significant length

Multiscale model of short cracks in a random polycrystalline aggregate

International Nuclear Information System (INIS)

Simonovski, I.; Cizelj, L.; Petric, Z.

2006-01-01

A plane-strain finite element crystal plasticity model of microstructurally small stationary crack emanating at a surface grain in a 316L stainless steel is proposed. The model consisting of 212 randomly shaped, sized and oriented grains is loaded monotonically in uniaxial tension to a maximum load of 1.12Rp0.2 (280MPa). The influence that a random grain structure imposes on a Stage I crack is assessed by calculating the crack tip opening (CTOD) and sliding displacements (CTSD) for single crystal as well as for polycrystal models, considering also different crystallographic orientations. In the single crystal case the CTOD and CTSD may differ by more than one order of magnitude. Near the crack tip slip is activated on all the slip planes whereby only two are active in the rest of the model. The maximum CTOD is directly related to the maximal Schmid factors. For the more complex polycrystal cases it is shown that certain crystallographic orientations result in a cluster of soft grains around the crack-containing grain. In these cases the crack tip can become a part of the localized strain, resulting in a large CTOD value. This effect, resulting from the overall grain orientations and sizes, can have a greater impact on the CTOD than the local grain orientation. On the other hand, when a localized soft response is formed away from the crack, the localized strain does not affect the crack tip directly, resulting in a small CTOD value. The resulting difference in CTOD can be up to a factor of 4, depending upon the crystallographic set. Grains as far as 6 times the value of crack length significantly influence that crack tip parameters. It was also found that a larger crack containing grain tends to increase the CTOD. Finally, smaller than expected drop in the CTOD (12.7%) was obtained as the crack approached the grain boundary. This could be due to the assumption of the unchanged crack direction, only monotonic loading and simplified grain boundary modelling. (author)

Grain boundary and grain interior conduction in γ'-Bi2MoO6

International Nuclear Information System (INIS)

Vera, C.M.C.; Aragon, R.

2005-01-01

Impedance spectroscopy of fine grained ( 2 MoO 6 samples, in the frequency range of 0.1 Hz-250 kHz, relevant to sensor applications, up to 800 deg. C, has been used to characterize grain boundary and grain interior contributions to conduction. Above 500 deg. C, the grain boundary contribution is no longer rate limiting and conduction is dominated by the grain interior component. The corresponding activation energies are 0.98 eV for grain boundary and 0.73 eV for grain interior components. The weak dependence of conductivity on oxygen partial pressure below 500 deg. C can be attributed to electrode-electrolyte interface phenomena, whereas the robust response to ethanol is commensurate with changes in intrinsic ionic conductivity

Tracer concentration contours in grain lattice and grain boundary diffusion

International Nuclear Information System (INIS)

Kim, Y. S.; Olander, D. R.

1997-01-01

Grain boundary diffusion plays a significant role in fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated during nuclear fission have to diffuse in the grain lattice and the boundary inside fuel pellets before they reach the open spaces in a fuel rod. These processes can be studied by 'tracer diffusion' techniques, by which grain boundary diffusivity can be estimated and directly used for low burn-up fission gas release analysis. However, only a few models accounting for the both processes are available and mostly handle them numerically due to mathematical complexity. Also the numerical solution has limitations in a practical use. In this paper, an approximate analytical solution in case of stationary grain boundary in a polycrystalline solid is developed for the tracer diffusion techniques. This closed-form solution is compared to available exact and numerical solutions and it turns out that it makes computation not only greatly easier but also more accurate than previous models. It can be applied to theoretical modelings for low burn-up fission gas release phenomena and experimental analyses as well, especially for PIE (post irradiation examination). (author)

Mathematical simulation of point defect interaction with grain boundaries

International Nuclear Information System (INIS)

Bojko, V.S.

1987-01-01

Published works, where the interaction of point defects and grain boundaries was studied by mathematical simulation methods, have been analysed. Energetics of the vacancy formation both in nuclei of large-angle special grain boundaries and in lattice regions adjoining them has been considered. The data obtained permit to explain specific features of grain-boundary diffusion processes. Results of mathematical simulation of the interaction of impurity atoms and boundaries have been considered. Specific features of the helium atom interaction with large-angle grain boundaries are analysed as well

Grain boundary defects initiation at the outer surface of dissimilar welds: corrosion mechanism studies

International Nuclear Information System (INIS)

De Bouvier, O.; Yrieix, B.

1995-11-01

Dissimilar welds located on the primary coolant system of the French PWR I plants exhibit grain boundary defects in the true austenitic zones of the first buttering layer. If grain boundaries reach the interface, they can extend to the martensitic band. Those defects are filled with compact oxides. In addition, the ferritic base metal presents some pits along the interface. Nowadays, three mechanisms are proposed to explain the initiation of those defects: stress corrosion cracking, intergranular corrosion and high temperature intergranular oxidation. This paper is dealing with the study of the mechanisms involved in the corrosion phenomenon. Intergranular corrosion tests performed on different materials show that only the first buttering layer, even with some δ ferrite, is sensitized. The results of stress corrosion cracking tests in water solutions show that intergranular cracking is possible on a bulk material representative of the first buttering layer. It is unlikely on actual dissimilar welds where the ferritic base metal protects the first austenitic layer by galvanic coupling. Therefore, the stress corrosion cracking assumption cannot explain the initiation of the defects in aqueous environment. The results of the investigations and of the corrosion studies led to the conclusion that the atmosphere could be the only possible aggressive environment. This conclusion is based on natural atmospheric exposure and accelerated corrosion tests carried out with SO 2 additions in controlled atmosphere. They both induce a severe intergranular corrosion on true sensitized austenitic materials. This corrosion studies cannot conclude definitively on the causes of the defect initiation on field, but they show that the atmospheric corrosion could produce intergranular attacks in the pure austenitic zones of the first buttering layer of the dissimilar welds and that this corrosion is stress assisted. (author). 1 ref., 6 figs., 4 tabs

Role of Grain Boundaries under Long-Time Radiation

Science.gov (United States)

Zhu, Yichao; Luo, Jing; Guo, Xu; Xiang, Yang; Chapman, Stephen Jonathan

2018-06-01

Materials containing a high proportion of grain boundaries offer significant potential for the development of radiation-resistant structural materials. However, a proper understanding of the connection between the radiation-induced microstructural behavior of a grain boundary and its impact at long natural time scales is still missing. In this Letter, point defect absorption at interfaces is summarized by a jump Robin-type condition at a coarse-grained level, wherein the role of interface microstructure is effectively taken into account. Then a concise formula linking the sink strength of a polycrystalline aggregate with its grain size is introduced and is well compared with experimental observation. Based on the derived model, a coarse-grained formulation incorporating the coupled evolution of grain boundaries and point defects is proposed, so as to underpin the study of long-time morphological evolution of grains induced by irradiation. Our simulation results suggest that the presence of point defect sources within a grain further accelerates its shrinking process, and radiation tends to trigger the extension of twin boundary sections.

A grain boundary phase transition in Si–Au

International Nuclear Information System (INIS)

Ma, Shuailei; Meshinchi Asl, Kaveh; Tansarawiput, Chookiat; Cantwell, Patrick R.; Qi, Minghao; Harmer, Martin P.; Luo, Jian

2012-01-01

A grain boundary transition from a bilayer to an intrinsic (nominally clean) boundary is observed in Si–Au. An atomically abrupt transition between the two complexions (grain boundary stabilized phases) implies the occurrence of a first-order interfacial phase transition associated with a discontinuity in the interfacial excess. This observation supports a grain-boundary complexion theory with broad applications. This transition is atypical in that the monolayer complexion is absent. A model is proposed to explain the bilayer stabilization and the origin of this complexion transition.

A multiscale constitutive model for intergranular stress corrosion cracking in type 304 austenitic stainless steel

International Nuclear Information System (INIS)

Siddiq, A; Rahimi, S

2013-01-01

Intergranular stress corrosion cracking (IGSCC) is a fracture mechanism in sensitised austenitic stainless steels exposed to critical environments where the intergranular cracks extends along the network of connected susceptible grain boundaries. A constitutive model is presented to estimate the maximum intergranular crack growth by taking into consideration the materials mechanical properties and microstructure characters distribution. This constitutive model is constructed based on the assumption that each grain is a two phase material comprising of grain interior and grain boundary zone. The inherent micro-mechanisms active in the grain interior during IGSCC is based on crystal plasticity theory, while the grain boundary zone has been modelled by proposing a phenomenological constitutive model motivated from cohesive zone modelling approach. Overall, response of the representative volume is calculated by volume averaging of individual grain behaviour. Model is assessed by performing rigorous parametric studies, followed by validation and verification of the proposed constitutive model using representative volume element based FE simulations reported in the literature. In the last section, model application is demonstrated using intergranular stress corrosion cracking experiments which shows a good agreement

Electronic and atomic structures of KFe2Se2 grain boundaries

International Nuclear Information System (INIS)

Fan, Wei; Liu, Da-Yong; Zeng, Zhi

2014-01-01

Highlights: •Twist grain boundary has lower grain-boundary energy. •Twist grain-boundary has similar electronic structure to that in crystal. •Charge and magnetic-moment fluctuations are large within tilt grain boundary. •Bi-collinear AFM is most stable even with existence of grain boundary. •Insulating Fe-vacancy phase is stable with existence of twist grain boundary. -- Abstract: The electronic and atomic structures of the twist and tilt grain boundaries (GB) of the iron-based superconductor KFe 2 Se 2 are studied based on the simulations of the first principles density functional theory. Our results have clarified that the Σ5[0 0 1] twist grain boundary of KFe 2 Se 2 with layered structure has the lower grain-boundary energy. The local structure and the main features of the basic electronic structure within the [0 0 1] twist grain-boundary region have small differences compared with those in KFe 2 Se 2 crystal. The large fluctuations of the charges and magnetic moments are found in the [0 0 1] tilt grain-boundary regions, especially the former are more prominent. The bi-collinear anti-ferromagnetic order is the most stable magnetic order even with grain boundaries in the bulk. The √(5)a×√(5)a superstructure of Fe-vacancies in K 2 Fe 4 Se 5 phase is intrinsically related to the coincident-site lattice of Σ5[0 0 1] twist grain boundary

Analysis of stress corrosion cracking in alloy 718 following commercial reactor exposure

Energy Technology Data Exchange (ETDEWEB)

Leonard, Keith J., E-mail: leonardk@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Gussev, Maxim N. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Stevens, Jacqueline N. [AREVA Inc., Lynchburg, VA (United States); Busby, Jeremy T. [Oak Ridge National Laboratory, Oak Ridge, TN (United States)

2015-11-15

Alloy 718 is generally considered a highly corrosion-resistant material but can still be susceptible to stress corrosion cracking (SCC). The combination of factors leading to SCC susceptibility in the alloy is not always clear enough. In the present work, alloy 718 leaf spring (LS) materials that suffered stress corrosion damage during two 24-month cycles in pressurized water reactor service, operated to >45 MWd/mtU burn-up, was investigated. Compared to archival samples fabricated through the same processing conditions, little microstructural and property changes occurred in the material with in-service irradiation, contrary to high dose rate laboratory-based experiments reported in literature. Though the lack of delta phase formation along grain boundaries would suggest a more SCC resistant microstructure, grain boundary cracking in the material was extensive. Crack propagation routes were explored through focused ion beam milling of specimens near the crack tip for transmission electron microscopy as well as in polished plan view and cross-sectional samples for electron backscatter diffraction analysis. It has been shown in this study that cracks propagated mainly along random high-angle grain boundaries, with the material around cracks displaying a high local density of dislocations. The slip lines were produced through the local deformation of the leaf spring material above their yield strength. The cause for local SCC appears to be related to oxidation of both slip lines and grain boundaries, which under the high in-service stresses resulted in crack development in the material.

Basic aspects of high-Tc grain boundary devices

International Nuclear Information System (INIS)

Mannhart, J.; Moler, K.A.; Sigrist, M.

1996-01-01

Grain boundaries are extensively used as high-quality Josephson junctions in high-T c superconductors. Their superconducting characteristics can generally be well described by conventional models of strongly coupled Josephson junctions. Here, we report on highly anomalous critical current vs. magnetic field dependencies of grain boundaries in YBa 2 Cu 3 O 7-x . Direct imaging with scanning SQUID microscopy provides evidence of magnetic flux generated by single grain boundaries. Conventional Josephson junction models cannot explain these effects if a superconducting order parameter with a pure s-wave symmetry is assumed. The results have significant implications for our understanding of the properties of grain boundaries in high-T c superconductors and for their applications. (orig.)

Grain boundary and triple junction diffusion in nanocrystalline copper

Energy Technology Data Exchange (ETDEWEB)

Wegner, M., E-mail: m.wegner@uni-muenster.de; Leuthold, J.; Peterlechner, M.; Divinski, S. V., E-mail: divin@uni-muenster.de [Institut für Materialphysik, Universität Münster, Wilhelm-Klemm-Straße 10, D-48149, Münster (Germany); Song, X., E-mail: xysong@bjut.edu.cn [College of Materials Science and Engineering, Beijing University of Technology, 100124 Beijing (China); Wilde, G. [Institut für Materialphysik, Universität Münster, Wilhelm-Klemm-Straße 10, D-48149, Münster (Germany); Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, 200444 Shanghai (China)

2014-09-07

Grain boundary and triple junction diffusion in nanocrystalline Cu samples with grain sizes, 〈d〉, of ∼35 and ∼44 nm produced by spark plasma sintering were investigated by the radiotracer method using the {sup 63}Ni isotope. The measured diffusivities, D{sub eff}, are comparable with those determined previously for Ni grain boundary diffusion in well-annealed, high purity, coarse grained, polycrystalline copper, substantiating the absence of a grain size effect on the kinetic properties of grain boundaries in a nanocrystalline material at grain sizes d ≥ 35 nm. Simultaneously, the analysis predicts that if triple junction diffusion of Ni in Cu is enhanced with respect to the corresponding grain boundary diffusion rate, it is still less than 500⋅D{sub gb} within the temperature interval from 420 K to 470 K.

Effects of grain size and grain boundaries on defect production in nanocrystalline 3C-SiC

International Nuclear Information System (INIS)

Swaminathan, N.; Kamenski, Paul J.; Morgan, Dane; Szlufarska, Izabela

2010-01-01

Cascade simulations in single crystal and nanocrystalline SiC have been conducted in order to determine the role of grain boundaries and grain size on defect production during primary radiation damage. Cascades are performed with 4 and 10 keV silicon as the primary knock-on atom (PKA). Total defect production is found to increase with decreasing grain size, and this effect is shown to be due to increased production in grain boundaries and changing grain boundary volume fraction. In order to consider in-grain defect production, a new mapping methodology is developed to properly normalize in-grain defect production rates for nanocrystalline materials. It is shown that the presence of grain boundaries does not affect the total normalized in-grain defect production significantly (the changes are lower than ∼20%) for the PKA energies considered. Defect production in the single grain containing the PKA is also studied and found to increase for smaller grain sizes. In particular, for smaller grain sizes the defect production decreases with increasing distance from the grain boundary while for larger grain sizes the presence of the grain boundaries has negligible effect on defect production. The results suggest that experimentally observed changes in radiation resistance of nanocrystalline materials may be due to long-term damage evolution rather than changes in defect production rates from primary damage.

Reconsidering the boundary conditions for a dynamic, transient mode I crack problem

KAUST Repository

Leise, Tanya

2008-11-01

A careful examination of a dynamic mode I crack problem leads to the conclusion that the commonly used boundary conditions do not always hold in the case of an applied crack face loading, so that a modification is required to satisfy the equations. In particular, a transient compressive stress wave travels along the crack faces, moving outward from the loading region on the crack face. This does not occur in the quasistatic or steady state problems, and is a special feature of the transient dynamic problem that is important during the time interval immediately following the application of crack face loading. We demonstrate why the usual boundary conditions lead to a prediction of crack face interpenetration, and then examine how to modify the boundary condition for a semi-infinite crack with a cohesive zone. Numerical simulations illustrate the resulting approach.

Dynamical simulation of structural multiplicity in grain boundaries

International Nuclear Information System (INIS)

Majid, I.; Bristowe, P.D.

1987-06-01

Work on a computer simulation study of a low-energy high-angle boundary structure which is not periodic have been recently reported. This result is of interest since grain boundary structures are usually assumed to have a periodicity corresponding to the appropriate coincidence site lattice (CSL) and many experimental observations of the structure of grain boundaries performed using conventional and high-resolution electron microscopy, electron diffraction and x-ray diffraction appear to support this work. However, this work, using empirical interatomic pair potentials and the relaxation method of molecular statics, have simulated a Σ = 5 36.87 0 (001) twist boundary and found a low energy structure having a larger repeat cell than the CSL and is composed of two different types of structural unit that are randomly distributed in the boundary plane. This result, which has been termed the multiplicity of grain boundary structures, has also been found in the simulation of tilt boundaries. The multiplicity phenomenon is of special interest in twist boundaries since it is used as a structural model to explain the x-ray scattering from a Σ = 5 boundary in gold. These scattering patterns had previously remained unexplained using stable structures that had simple CSL periodicity. Also, the effect of having a multiple number of low energy structural units coexisting in the grain boundary is of more general interest since it implies that the boundary structures may be quasi-periodic and, in some circumstances, may even result in a roughening of the boundary plane. This paper extends this work by showing, using molecular dynamics, that a multiplicity of structural units can actually nucleate spontaneously in a high-angle grain boundary at finite temperatures

Study of some properties of point defects in grain boundaries

International Nuclear Information System (INIS)

Martin, Georges

1973-01-01

With the aim of deducing simple informations on the grain boundary core structure, we investigated self diffusion under hydrostatic pressure, impurity diffusion (In and Au), electromigration (Sb) along certain types of grain boundaries in Ag bicrystals, and the Moessbauer effect of 57 Co located in the grain boundaries of polycrystalline Be. Our results lead to the following conclusions: the formation of a vacancy like defects is necessary to grain boundary diffusion; solute atoms may release most of their elastic energy of dissolution as they segregate at the boundary; in an electrical field, the drift of Sb ions parallel to the boundary takes place toward the anode as in the bulk. The force on the grain boundary ions is larger than in the bulk; Moessbauer spectroscopy revealed the formation of Co-rich aggregates, which may proves important in the study of early stages of grain boundary precipitation. (author) [fr

Effect of Microstructure and Environment on Static Crack Growth Resistance in Alloy 706

Science.gov (United States)

Yang, Ling; Hawk, Jeffrey A.; Duquette, David J.; Schwant, Robin C.

2009-06-01

The relationship between thermo-mechanical processing, resultant microstructure, and mechanical properties has been of interest in the field of metallurgy for centuries. In this work, the effect of heat treatment on microstructure and key mechanical properties important for turbine rotor design has been investigated. Specifically, the tensile yield strength and crack growth resistance for a nickel-iron based superalloy 706 has been examined. Through a systematic study, a correlation was found between the processing parameters and the microstructure. Specifically, differences in grain boundary and grain interior precipitates were identified and correlated with processing conditions. Further, a strong relationship between microstructure and mechanical properties was identified. The type and orientation of grain boundary precipitates affect time-dependent crack propagation resistance, and the size and volume fraction of grain interior precipitates were correlated with tensile yield strength. It was also found that there is a strong environmental effect on time-dependent crack propagation resistance, and the sensitivity to environmental damage is microstructure dependent. Microstructures with η decorated grain boundaries were more resistant to environmental damage through oxygen embrittlement than microstructures with no η phase on the grain boundaries. An effort was made to explore the mechanisms of improving the time-dependent crack propagation resistance through thermo-mechanical processing, and several mechanisms were identified in both the environment-dependent and the environment-independent category. These mechanisms were ranked based on their contributions to crack propagation resistance.

Advantageous grain boundaries in iron pnictide superconductors

Science.gov (United States)

Katase, Takayoshi; Ishimaru, Yoshihiro; Tsukamoto, Akira; Hiramatsu, Hidenori; Kamiya, Toshio; Tanabe, Keiichi; Hosono, Hideo

2011-01-01

High critical temperature superconductors have zero power consumption and could be used to produce ideal electric power lines. The principal obstacle in fabricating superconducting wires and tapes is grain boundaries—the misalignment of crystalline orientations at grain boundaries, which is unavoidable for polycrystals, largely deteriorates critical current density. Here we report that high critical temperature iron pnictide superconductors have advantages over cuprates with respect to these grain boundary issues. The transport properties through well-defined bicrystal grain boundary junctions with various misorientation angles (θGB) were systematically investigated for cobalt-doped BaFe2As2 (BaFe2As2:Co) epitaxial films fabricated on bicrystal substrates. The critical current density through bicrystal grain boundary (JcBGB) remained high (>1 MA cm−2) and nearly constant up to a critical angle θc of ∼9°, which is substantially larger than the θc of ∼5° for YBa2Cu3O7–δ. Even at θGB>θc, the decay of JcBGB was much slower than that of YBa2Cu3O7–δ. PMID:21811238

A constitutive model of nanocrystalline metals based on competing grain boundary and grain interior deformation mechanisms

KAUST Repository

Gurses, Ercan

2011-12-01

In this work, a viscoplastic constitutive model for nanocrystalline metals is presented. The model is based on competing grain boundary and grain interior deformation mechanisms. In particular, inelastic deformations caused by grain boundary diffusion, grain boundary sliding and dislocation activities are considered. Effects of pressure on the grain boundary diffusion and sliding mechanisms are taken into account. Furthermore, the influence of grain size distribution on macroscopic response is studied. The model is shown to capture the fundamental mechanical characteristics of nanocrystalline metals. These include grain size dependence of the strength, i.e., both the traditional and the inverse Hall-Petch effects, the tension-compression asymmetry and the enhanced rate sensitivity. © 2011 Elsevier B.V. All rights reserved.

Properties of grain boundaries in BCC iron and iron-based alloys

International Nuclear Information System (INIS)

Terentyev, D.; He, Xinfu

2010-01-01

The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

Properties of grain boundaries in BCC iron and iron-based alloys

Energy Technology Data Exchange (ETDEWEB)

Terentyev, D.; He, Xinfu

2010-08-15

The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

Grain boundary corrosion of copper canister weld material

International Nuclear Information System (INIS)

Gubner, Rolf; Andersson, Urban; Linder, Mats; Nazarov, Andrej; Taxen, Claes

2006-01-01

The proposed design for a final repository for spent fuel and other long-lived residues in Sweden is based on the multi-barrier principle. The waste will be encapsulated in sealed cylindrical canisters, which will then be placed in granite bedrock and surrounded by compacted bentonite clay. The canister design is based on a thick cast inner container fitted inside a corrosion-resistant copper canister. During fabrication of the outer copper canisters there will be some unavoidable grain growth in the welded areas. As grains grow, they will tend to concentrate impurities within the copper at the new grain boundaries. The work described in this report was undertaken to determine whether there is any possibility of enhanced corrosion at grain boundaries within the copper canister, based on the recommendations of the report SKB-TR--01-09 (INIS ref. 32025363). Grain boundary corrosion of copper is not expected to be a problem for the copper canisters in a repository. However, as one step in the experimental verification it is necessary to study grain boundary corrosion of copper in an environment where it may occur. A literature study aimed to find one or several solutions that are aggressive with respect to grain boundary corrosion of copper. Copper specimens cut from welds of real copper canisters where exposed to aerated ammonium hydroxide solution for a period of 14 days at 80 degrees C and 10 bar pressure. The samples were investigated prior to exposure using the scanning Kelvin probe technique to characterize anodic and cathodic areas on the samples. The degree of corrosion was determined by optical microscopy. No grain boundary corrosion could be observed in the autoclave experiments, however, a higher rate of corrosion was observed for the weld material compared to the base material. The work suggests that grain boundary corrosion of copper weld material is most unlikely to adversely affect SKB's copper canisters under the conditions in the repository

Grain boundary corrosion of copper canister weld material

Energy Technology Data Exchange (ETDEWEB)

Gubner, Rolf; Andersson, Urban; Linder, Mats; Nazarov, Andrej; Taxen, Claes [Corrosion and Metals Research Inst. (KIMAB), Stockholm (Sweden)

2006-01-15

The proposed design for a final repository for spent fuel and other long-lived residues in Sweden is based on the multi-barrier principle. The waste will be encapsulated in sealed cylindrical canisters, which will then be placed in granite bedrock and surrounded by compacted bentonite clay. The canister design is based on a thick cast inner container fitted inside a corrosion-resistant copper canister. During fabrication of the outer copper canisters there will be some unavoidable grain growth in the welded areas. As grains grow, they will tend to concentrate impurities within the copper at the new grain boundaries. The work described in this report was undertaken to determine whether there is any possibility of enhanced corrosion at grain boundaries within the copper canister, based on the recommendations of the report SKB-TR--01-09 (INIS ref. 32025363). Grain boundary corrosion of copper is not expected to be a problem for the copper canisters in a repository. However, as one step in the experimental verification it is necessary to study grain boundary corrosion of copper in an environment where it may occur. A literature study aimed to find one or several solutions that are aggressive with respect to grain boundary corrosion of copper. Copper specimens cut from welds of real copper canisters where exposed to aerated ammonium hydroxide solution for a period of 14 days at 80 degrees C and 10 bar pressure. The samples were investigated prior to exposure using the scanning Kelvin probe technique to characterize anodic and cathodic areas on the samples. The degree of corrosion was determined by optical microscopy. No grain boundary corrosion could be observed in the autoclave experiments, however, a higher rate of corrosion was observed for the weld material compared to the base material. The work suggests that grain boundary corrosion of copper weld material is most unlikely to adversely affect SKB's copper canisters under the conditions in the repository.

Additive recovery at lateral boundaries of grains under electronic exposure

International Nuclear Information System (INIS)

Plotnikov, S.V.; Postnikov, D.V.

2000-01-01

The experimental investigation of additive re-distribution under electronic beam revealed a recovery of the additive at grain boundaries. Additive accumulation mainly takes place at the boundaries that are perpendicular to material surface, whereas there is no an observed recovery of additive at the boundaries that are parallel to the surface. To construe the processes of additive recovery at grain boundaries, we may use the kinetic diffusion equation describing the mass transfer processes in the presence of temperature gradients and non-equilibrium vacancies. The additive recovery is caused by spot fault gradients near the grain boundary. The grain boundary is an intensive run-off region of vacancies. Therefore, the average vacancy distribution profile near the grain boundary changes its pattern. The above case indicates that there are two additive fluxes. One of them is vectored perpendicular to the surface, and the other one is parallel to it, i.e. it is vectored to the grain boundary. A study of the perpendicular and parallel boundaries shows that there is no additive settling at the boundaries that are parallel to the surface, since the general flux is vectored to the parallel boundaries. There is no such kind of phenomenon at the grain boundaries that are perpendicular to the surface. Besides, the perpendicular boundaries are more effective run-off regions for vacancies, since there is a slower build-up of the region with vacancies due to displacement of the vacancies to the surface

The influence of grain boundary structure on diffusional creep

DEFF Research Database (Denmark)

Thorsen, Peter Anker; Bilde-Sørensen, Jørgen

1999-01-01

the deformation caused by deposition of material at (or removal of material from) grain boundaries. The misorientation across the grain boundaries, and hence the character of the boundaries, was measured with the use of electron back-scattering patterns. The deformation behavior of the individual boundaries......A Cu-2wt%Ni-alloy was deformed in tension in the diffusional creep regime (Nabarro-Herring creep). A periodic grid consisting of alumina was deposited on the surface of the creep specimen prior to creep. This makes it possible to separate the deformation caused by grain boundary sliding from...

Additive recovery of lateral boundaries of grains under electronic exposure

International Nuclear Information System (INIS)

Postnikov, D.V.; Plotnikov, S.V.

2002-01-01

The experimental investigation of additive re-distribution under electronic beam revealed a recovery of the additive at grain boundaries. Additive accumulation mainly takes place at the boundaries that are perpendicular to material surface, whereas there is no an observed recovery of additive at the boundaries that are parallel to the surface. The additive recovery is caused by spot fault gradients near the grain boundary. The grain boundary is an intensive run-off region of vacancies. Therefore, the average vacancy distribution profile near the grain boundary changes its pattern. The above case indicates that there are two additive fluxes. One of them is vectored perpendicular to the surface, and the other one is parallel to it, i. e. it is vectored to the grain boundary. A study of the perpendicular and parallel boundaries shows that there is no additive settling at the boundaries that are parallel to the surface, since the general flux is vectored to the parallel boundaries. There is no such kind of phenomenon at the grain boundaries that are perpendicular to the surface. Besides, the perpendicular boundaries are more effective run-off regions for vacancies, since there is a slower build-up of the region with vacancies due to displacement of the vacancies to the surface. To compute concentration of vacancies we will consider a grain of the surface as a model. The computations indicate the presence of vacancy gradients vectored to the surface and grain boundaries, which are perpendicular to the surface. Comparison of the experimental and theoretical outcomes shows a good agreement between the theoretical model and actual processes occurring under the exposure. This theory disclose wide potentials for application of diffusion processes in alloys

Grain boundaries of nanocrystalline materials - their widths, compositions, and internal structures

International Nuclear Information System (INIS)

Fultz, B.; Frase, H.N.

2000-01-01

Nanocrystalline materials contain many atoms at and near grain boundaries. Sufficient numbers of Moessbauer probe atoms can be situated in grain boundary environments to make a clear contribution to the measured Moessbauer spectrum. Three types of measurements on nanocrystalline materials are reported here, all using Moessbauer spectrometry in conjunction with X-ray diffractometry, transmission electron microscopy, or small angle neutron scattering. By measuring the fraction of atoms contributing to the grain boundary component in a Moessbauer spectrum, and by knowing the grain size of the material, it is possible to deduce the average width of grain boundaries in metallic alloys. It is found that these widths are approximately 0.5 nm for fcc alloys and slightly larger than 1.0 nm for bcc alloys.Chemical segregation to grain boundaries can be measured by Moessbauer spectrometry, especially in conjunction with small angle neutron scattering. Such measurements on Fe-Cu and Fe 3 Si-Nb were used to study how nanocrystalline materials could be stabilized against grain growth by the segregation of Cu and Nb to grain boundaries. The segregation of Cu to grain boundaries did not stabilize the Fe-Cu alloys against grain growth, since the grain boundaries were found to widen and accept more Cu atoms during annealing. The Nb additions to Fe 3 Si did suppress grain growth, perhaps because of the low mobility of Nb atoms, but also perhaps because Nb atoms altered the chemical ordering in the alloy.The internal structure of grain boundaries in nanocrystalline materials prepared by high-energy ball milling is found to be unstable against internal relaxations at low temperatures. The Moessbauer spectra of the nanocrystalline samples showed changes in the hyperfine fields attributable to movements of grain boundary atoms. In conjunction with SANS measurements, the changes in grain boundary structure induced by cryogenic exposure and annealing at low temperature were found to be

Experiment-based modelling of grain boundary β-phase (Mg2Al3) evolution during sensitisation of aluminium alloy AA5083.

Science.gov (United States)

Zhang, R; Steiner, M A; Agnew, S R; Kairy, S K; Davies, C H J; Birbilis, N

2017-06-07

An empirical model for the evolution of β-phase (Mg 2 Al 3 ) along grain boundaries in aluminium alloy AA5083 (Al-Mg-Mn) during isothermal exposures is proposed herein. Developing a quantitative understanding of grain boundary precipitation is important to interpreting intergranular corrosion and stress corrosion cracking in this alloy system. To date, complete ab initio models for grain boundary precipitation based upon fundamental principles of thermodynamics and kinetics are not available, despite the critical role that such precipitates play in dictating intergranular corrosion phenomena. Empirical models can therefore serve an important role in advancing the understanding of grain boundary precipitation kinetics, which is an approach applicable beyond the present context. High resolution scanning electron microscopy was to quantify the size and distribution of β-phase precipitates on Ga-embrittled intergranular fracture surfaces of AA5083. The results are compared with the degree of sensitisation (DoS) as judged by nitric acid mass loss testing (ASTM-G67-04), and discussed with models for sensitisation in 5xxx series Al-alloys. The work herein allows sensitisation to be quantified from an unambiguous microstructural perspective.

Migration mechanisms of a faceted grain boundary

Science.gov (United States)

Hadian, R.; Grabowski, B.; Finnis, M. W.; Neugebauer, J.

2018-04-01

We report molecular dynamics simulations and their analysis for a mixed tilt and twist grain boundary vicinal to the Σ 7 symmetric tilt boundary of the type {1 2 3 } in aluminum. When minimized in energy at 0 K , a grain boundary of this type exhibits nanofacets that contain kinks. We observe that at higher temperatures of migration simulations, given extended annealing times, it is energetically favorable for these nanofacets to coalesce into a large terrace-facet structure. Therefore, we initiate the simulations from such a structure and study as a function of applied driving force and temperature how the boundary migrates. We find the migration of a faceted boundary can be described in terms of the flow of steps. The migration is dominated at lower driving force by the collective motion of the steps incorporated in the facet, and at higher driving forces by the step detachment from the terrace-facet junction and propagation of steps across the terraces. The velocity of steps on terraces is faster than their velocity when incorporated in the facet, and very much faster than the velocity of the facet profile itself, which is almost stationary. A simple kinetic Monte Carlo model matches the broad kinematic features revealed by the molecular dynamics. Since the mechanisms seem likely to be very general on kinked grain-boundary planes, the step-flow description is a promising approach to more quantitative modeling of general grain boundaries.

Study of Ferrite During Refinement of Prior Austenite Grains in Microalloyed Steel Continuous Casting

Science.gov (United States)

Liu, Jiang; Wen, Guanghua; Tang, Ping

2017-12-01

The formation of coarse prior austenite grain is a key factor to promote transverse crack, and the susceptibility to the transverse crack can be reduced by refining the austenite grain size. In the present study, the high-temperature confocal laser scanning microscope (CLSM) was used to simulate two types of double phase-transformation technologies. The distribution and morphology of ferrites under different cooling conditions were analyzed, and the effects of ferrite distribution and morphology on the double phase-transformation technologies were explored to obtain the suitable double phase-change technology for the continuous casting process. The results indicate that, under the thermal cycle TH0 [the specimens were cooled down to 913 K (640 °C) at a cooling rate of 5.0 K/s (5.0 °C/s)], the width of prior austenite grain boundaries was thick, and the dislocation density at grain boundaries was high. It had strong inhibition effect on crack propagation; under the thermal cycle TH1 [the specimens were cooled down to 1073 K (800 °C) at a cooling rate of 5.0 K/s (5.0 °C/s) and then to 913 K (640 °C) at a cooling rate of 1.0 K/s (1.0 °C/s)], the width of prior austenite grain boundary was thin, and the dislocation density at grain boundaries was low. It was beneficial to crack propagation. After the first phase change, the developed film-like ferrite along the austenite grain boundaries improved the nucleation conditions of new austenitic grains and removed the inhibition effect of the prior austenite grain boundaries on the austenite grain size.

Structure of grain boundaries in hexagonal materials

International Nuclear Information System (INIS)

Sarrazit, F.

1998-05-01

The work presented in this thesis describes experimental and theoretical aspects associated with the structure of grain boundaries in hexagonal materials. It has been found useful to classify grain boundaries as low-angle, special or general on the basis of their structure. High-angle grain boundaries were investigated in tungsten carbide (WC) using conventional electron microscopy techniques, and three examples characteristic of the interfaces observed in this material were studied extensively. Three-dimensionally periodic patterns are proposed as plausible reference configurations, and the Burgers vectors of observed interfacial dislocations were predicted using a theory developed recently. The comparison of experimental observations with theoretical predictions proved to be difficult as contrast simulation techniques require further development for analysis to be completed confidently. Another part of this work involves the characterisation of high-angle grain boundaries in zinc oxide (ZnO) using circuit mapping. Two boundaries displayed structural features characteristic of the 'special' category, however, one boundary presented features which did not conform to this model. It is proposed that the latter observation shows a structural transition from the special to a more general type. Material fluxes involved in defect interactions were considered using the topological framework described in this work. A genera) expression was derived for the total flux arising which allows the behaviour of line-defects to be studied in complex interfacial processes. (author)

On the transition of short cracks into long fatigue cracks in reactor pressure vessel steels

Directory of Open Access Journals (Sweden)

Singh Rajwinder

2018-01-01

Full Text Available Short fatigue cracks, having dimension less than 1 mm, propagate at much faster rates (da/dN even at lower stress intensity factor range (da/dN as compared to the threshold stress intensity factor range obtained from long fatigue crack growth studies. These short cracks originate at the sub-grain level and some of them ultimately transit into critical long cracks over time. Therefore, designing the components subjected to fatigue loading merely on the long crack growth data and neglecting the short crack growth behavior can overestimate the component’s life. This aspect of short fatigue cracks become even more critical for materials used for safety critical applications such as reactor pressure vessel (RPV steel in nuclear plants. In this work, the transition behaviour of short fatigue crack gowth into long fatigue crack is studied in SA508 Grade 3 Class I low alloy steel used in RPVs. In-situ characterization of initiation, propagation and transition of short fatigue cracks is performed using fatigue stage for Scanning Electron Microscope (SEM in addition to digital microscopes fitted over a servo-hydraulic fatigue machine and correlated with the microtructural information obtained using electron backscatter diffraction (EBSD. SA508 steel having an upper bainitic microstructure have several microstructural interfaces such as phase and grain boundaries that play a significant role in controlling the short fatigue crack propagation. Specially designed and prepared short fatigue specimens (eletro-polished with varying initial crack lengths of the order of tens of microns are used in this study. The transition of such short initial cracks into long cracks is then tracked to give detailed insight into the role of each phase and phase/grain boundary with an objective of establishing Kitagawa-Takahashi diagram for the given RPV steel. The behavior of the transited long cracks is then compared with the crack propagation behavior obtained using

Competing Grain Boundary and Interior Deformation Mechanisms with Varying Sizes

Energy Technology Data Exchange (ETDEWEB)

Zhang, Wei [University of Tennessee (UT); Gao, Yanfei [ORNL; Nieh, T. G. [University of Tennessee, Knoxville (UTK)

2018-01-01

In typical coarse-grained alloys, the dominant plastic deformations are dislocation gliding or climbing, and material strengths can be tuned by dislocation interactions with grain boundaries, precipitates, solid solutions, and other defects. With the reduction of grain size, the increase of material strengths follows the classic Hall-Petch relationship up to nano-grained materials. Even at room temperatures, nano-grained materials exhibit strength softening, or called the inverse Hall-Petch effect, as grain boundary processes take over as the dominant deformation mechanisms. On the other hand, at elevated temperatures, grain boundary processes compete with grain interior deformation mechanisms over a wide range of the applied stress and grain sizes. This book chapter reviews and compares the rate equation model and the microstructure-based finite element simulations. The latter explicitly accounts for the grain boundary sliding, grain boundary diffusion and migration, as well as the grain interior dislocation creep. Therefore the explicit finite element method has clear advantages in problems where microstructural heterogeneities play a critical role, such as in the gradient microstructure in shot peening or weldment. Furthermore, combined with the Hall-Petch effect and its breakdown, the above competing processes help construct deformation mechanism maps by extending from the classic Frost-Ashby type to the ones with the dependence of grain size.

Characterization of SCC crack tip and hydrogen distribution in alloy 600

Energy Technology Data Exchange (ETDEWEB)

Fujii, Katsuhiko; Nakajima, Nobuo; Fukuya, Koji [Institute of Nuclear Safety System Inc., Mihama, Fukui (Japan); Hatano, Yuji [Toyama Univ. (Japan)

2001-09-01

In order to identify the mechanism of primary water stress corrosion cracking (SCC), direct observations of SCC crack tip microstructure and hydrogen distribution in alloy 600 were carried out. A new technique has been developed to prepare electron transparent foils including the crack tip using focused-ion beam (FIB) micro-processing technique. Cr-rich oxide and metal-Ni phase were identified in the crack tip and grain boundary ahead of the crack. >From the fact that similar microstructure was observed in the surface oxide layer, it is suggested that the oxidation mechanism is identical at the crack tip region and the surface. It became clear that the crack tip region and the oxidized grain boundary don't work as strong trapping sites of solute hydrogen under unloaded condition, because a homogeneous hydrogen distribution around the crack tip region was detected by tritium microautoradiography. (author)

Cause of Damage. Hot cracking; Schadensursache Heissrissigkeit

Energy Technology Data Exchange (ETDEWEB)

Wader, Therese [BENTELER Steel/Tube GmbH, Paderborn (Germany). Vorentwicklung Werkstoffe

2016-10-15

Under certain conditions, Nb-containing stainless steels are susceptible to hot cracking. Such conditions include low melting phases on the grain boundaries, a coarse-grained microstructure such as cast structures, microstructure orientations towards the main tensile direction and high processing temperatures. The case of damage was characterized using metallographic and microanalytical methods. In the laboratory, the critical temperature range for the formation of hot cracks could furthermore specifically be localized under mechanical stresses by means of a dilatometer aiming at clearly verifying the cause of the damage, namely ''hot cracks''.

Diffraction-based study of fatigue crack initiation and propagation in aerospace aluminum alloys

Science.gov (United States)

Gupta, Vipul K.

The crack initiation sites and microstructure-sensitive growth of small fatigue cracks are experimentally characterized in two precipitation-hardened aluminum alloys, 7075-T651 and 7050-T7451, stressed in ambient temperature moist-air (warm-humid) and -50°C dry N2 (cold-dry) environmental conditions. Backscattered electron imaging (BSE) and energy dispersive spectroscopy (EDS) of the fracture surfaces showed that Fe-Cu rich constituent particle clusters are the most common initiation sites within both alloys stressed in either environment. The crack growth within each alloy, on average, was observed to be slowed in the cold-dry environment than in the warm-humid environment, but only at longer crack lengths. Although no overwhelming effects of grain boundaries and grain orientations on small-crack growth were observed, crack growth data showed local fluctuations within individual grains. These observations are understood as crack propagation through the underlying substructure at the crack surface and frequent interaction with low/high-angle grain and subgrain boundaries, during cyclic loading, and, are further attributed to periodic changes in crack propagation path and multiple occurrences of crack-branching observed in the current study. SEM-based stereology in combination with electron backscattered diffraction (EBSD) established fatigue crack surface crystallography within the region from ˜1 to 50 mum of crack initiating particle clusters. Fatigue crack facets were parallel to a wide variety of crystallographic planes, with pole orientations distributed broadly across the irreducible stereographic triangle between the {001} and {101}-poles within both warm-humid and cold-dry environments. The results indicate environmentally affected fatigue cracking in both cases, given the similarity between the observed morphology and crystallography with that of a variety of aerospace aluminum alloys cracked in the presence of moist-air. There was no evidence of

Grain boundary sinks in neutron-irradiated Zr and Zr-alloys

International Nuclear Information System (INIS)

Griffiths, M.; Gilbert, R.W.; Coleman, C.E.

1988-01-01

Samples of annealed sponge and crystal-bar Zr and Zircaloy-2 have been examined following irradiation in EBR-II at temperatures ≅ 700 K. Loop analysis shows that there is selective denuding of interstitial loops near to some grain boundaries indicating that such boundaries are net sinks for interstitial point defects. Furthermore, in sponge Zr and Zircaloy-2, vacancy c-component loops are observed running into the grain boundaries showing that the grain boundaries are not preferred sinks for vacancies. Cavities are observed in all samples. In crystal-bar Zr and sponge Zr they are mostly observed adjacent to grain boundaries. They are also sometimes found within grains associated with precipitates. The cavities are more common in the crystal-bar Zr and this is probably because both the sponge Zr and Zircaloy-2 contain vacancy c-component loops which compete for vacancies (assuming that the cavities are vacancy sinks). Only some of the grain boundaries have cavities adjacent to them and this may be related to the orientation of the boundary. (orig.)

Segregation to grain boundaries in nimonic PE16 superalloy

International Nuclear Information System (INIS)

Nettleship, D.J.; Wild, R.K.

1990-01-01

Nimonic PE16 alloy is a nickel-based superalloy containing 34 wt.% iron and 16wt.% chromium with additions of molybdenum, titanium and aluminium. It is used in the fuel assembly of the UK advanced gas-cooled reactors (AGR). This component supports significant loads in service and its mechanical integrity is therefore of paramount importance. Mechanical properties may be influenced by the grain size and grain boundary composition, both of which can themselves alter during service. Scanning Auger microscopy is a well-established method for investigating grain boundaries, and has now been applied to the study of PE16. In order to expose PE16 grain boundary surfaces it is necessary to hydrogen charge samples and fracture by pulling in tension at a slow strain rate within the ultra-high vacuum chamber of the Auger microprobe. A series of casts of nimonic PE16 alloy that have received a range of thermal ageing treatments have been fractured in an intergranular manner and the grain boundary composition determined. Segregation of trace and minority elements, particularly Mo and P, has been detected at grain boundaries. Significant variations between different as-manufactured casts were observed, whilst ageing brought about the growth of chromium-rich particles on the grain boundaries. Ductile fracture in PE16 followed a path through Ti(C, N) particles. Many of these particles incorporated large amounts of sulphur. (author)

Study of rapid grain boundary migration in a nanocrystalline Ni thin film

International Nuclear Information System (INIS)

Kacher, Josh; Robertson, I.M.; Nowell, Matt; Knapp, J.; Hattar, Khalid

2011-01-01

Research highlights: → Abnormal growth is distributed randomly in the foil and initiates at different times. → Growth occurs from seemingly uncorrelated regions of the grain boundary. → Growth twins are created during all stages of abnormal grain growth. → Grain growth patterns are qualitatively similar to a vacancy diffusion model. → Grain boundaries and orientations evolve during growth to minimize system energy. - Abstract: Grain boundary migration associated with abnormal grain growth in pulsed-laser deposited Ni was studied in real time by annealing electron transparent films in situ in the transmission electron microscope. The resulting texture evolution and grain boundary types produced were evaluated by ex situ electron backscatter diffraction of interrupted anneals. The combination of these two techniques allowed for the investigation of grain growth rates, grain morphologies, and the evolution of the orientation and grain boundary distributions. Grain boundaries were found to progress in a sporadic, start/stop fashion with no evidence of a characteristic grain growth rate. The orientations of the abnormally growing grains were found to be predominately //ND throughout the annealing process. A high fraction of twin boundaries developed during the annealing process. The intermittent growth from different locations of the grain boundary is discussed in terms of a vacancy diffusion model for grain growth.

A constitutive model of nanocrystalline metals based on competing grain boundary and grain interior deformation mechanisms

KAUST Repository

Gurses, Ercan; El Sayed, Tamer S.

2011-01-01

In this work, a viscoplastic constitutive model for nanocrystalline metals is presented. The model is based on competing grain boundary and grain interior deformation mechanisms. In particular, inelastic deformations caused by grain boundary

Grain-size distributions and grain boundaries of chalcopyrite-type thin films

International Nuclear Information System (INIS)

Abou-Ras, D.; Schorr, S.; Schock, H.W.

2007-01-01

CuInSe 2 , CuGaSe 2 , Cu(In,Ga)Se 2 and CuInS 2 thin-film solar absorbers in completed solar cells were studied in cross section by means of electronbackscatter diffraction. From the data acquired, grain-size distributions were extracted, and also the most frequent grain boundaries were determined. The grain-size distributions of all chalcopyrite-type thin films studied can be described well by lognormal distribution functions. The most frequent grainboundary types in these thin films are 60 - left angle 221 right angle tet and 71 - left angle 110 right angle tet (near) Σ3 twin boundaries. These results can be related directly to the importance of {112} tet planes during the topotactical growth of chalcopyrite-type thin films. Based on energetic considerations, it is assumed that the most frequent twin boundaries exhibit a 180 - left angle 221 right angle tet constellation. (orig.)

Fatigue micro-crack initiation behavior and effect of irradiation damage on it in austenitic stainless steel

International Nuclear Information System (INIS)

Nakai, Ryosuke; Sato, Yuki; Nogami, Shuhei; Hasegawa, Akira

2012-01-01

The effect of irradiation on slip band formation and growth and micro-crack initiation behavior under low cycle fatigue in SUS316L austenitic stainless steel was investigated using accelerator-based proton irradiation and a low cycle fatigue test at room temperature in air. The micro-crack initiation was observed at slip band, grain boundary, twin boundary, and triple junction regardless of the total strain range and the proton irradiation. In unirradiated specimens, the micro-crack initiation life dropped by 75-90% due to the increase of the plastic strain range. Under the condition the plastic strain range was 0.4%, the micro-crack initiation was observed mainly at the grain boundary. On the other hand, under the condition the plastic strain range was 1.0%, the number fractions of the micro-crack initiation in slip band and twin boundary were increased. In proton-irradiated specimens, the micro-crack initiation life decreased by 50-80% and the micro-crack initiation was observed mainly at slip band and twin boundary. (author)

Characterization and Modeling of Grain Boundary Chemistry Evolution in Ferritic Steels under Irradiation

Energy Technology Data Exchange (ETDEWEB)

Marquis, Emmanuelle [Univ. of Michigan, Ann Arbor, MI (United States); Wirth, Brian [Univ. of Tennessee, Knoxville, TN (United States); Was, Gary [Univ. of Michigan, Ann Arbor, MI (United States)

2016-03-28

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, 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

Effect of crystal orientation on grain boundary migration and radiation-induced segregation

International Nuclear Information System (INIS)

Hashimoto, N.; Eda, Y.; Takahashi, H.

1996-01-01

Fe-Cr-Ni, Ni-Al and Ni-Si alloys were electron-irradiated using a high voltage electron microscope (1 MeV), and in situ observations of the structural evolution and micro-chemical analysis were carried out. During the irradiation, the grain boundaries in the irradiated region migrated, while no grain boundary migration occurred in the unirradiated area. The occurrence of boundary migration depended on the orientation relationship of the boundary interfaces. Grain boundary migration took place in Fe-Cr-Ni and Ni-Si alloys with large crystal orientation difference between the two grains across a grain boundary. In Ni-Al, however, the grain boundary migration did not occur. The solute segregation was caused at grain boundary under irradiation and this segregation behavior was closely related to solute size, namely the concentrations of undersized Ni and oversized Cr elements in Fe-Cr-Ni alloy increased and reduced at grain boundary, respectively. The same dependence of segregation on the solute size was derived in Ni-Si and Ni-Al alloys, in which Si and Al solutes are undersized and oversized elements, respectively. Therefore, Si solute enriched and Al solute depleted at grain boundary. From the present segregation behavior, it is suggested that the flow of point defects into the boundary is the cause of grain boundary migration. (orig.)

In situ observations of crack arrest and bridging by nanoscale twins in copper thin films

International Nuclear Information System (INIS)

Kim, Seong-Woong; Li Xiaoyan; Gao Huajian; Kumar, Sharvan

2012-01-01

In situ tensile experiments in a transmission electron microscope revealed that micro-cracks in ultrafine grained, free-standing, thin copper foils containing nanoscale twins initiated in matrix domains separated by the twins and then arrested at twin boundaries as twin boundary sliding proceeded. The adjacent microcracks eventually coalesced through shear failure of the bridging twins. To investigate the atomic mechanism of this rarely seen nanoscale crack bridging behavior, molecular dynamics simulations were performed to show that during crack propagation twin boundaries are impinged upon by numerous dislocations from the plastically deforming matrix. These dislocations react at the interface and evolve into substantially impenetrable dislocation walls that strongly confine crack nucleation and resist crack propagation, leading to the experimentally observed crack bridging behavior. The present results raise an approach to significantly toughening polycrystalline thin films by incorporating nanoscale twin structures into individual grains that serve as crack bridging ligaments.

Segregation of solute elements at grain boundaries in an ultrafine grained Al-Zn-Mg-Cu alloy

International Nuclear Information System (INIS)

Sha, Gang; Yao, Lan; Liao, Xiaozhou; Ringer, Simon P.; Chao Duan, Zhi; Langdon, Terence G.

2011-01-01

The solute segregation at grain boundaries (GBs) of an ultrafine grained (UFG) Al-Zn-Mg-Cu alloy processed by equal-channel angular pressing (ECAP) at 200 o C was characterised using three-dimensional atom probe. Mg and Cu segregate strongly to the grain boundaries. In contrast, Zn does not always show clear segregation and may even show depletion near the grain boundaries. Trace element Si selectively segregates at some GBs. An increase in the number of ECAP passes leads to a decrease in the grain size but an increase in solute segregation at the boundaries. The significant segregation of alloying elements at the boundaries of ultrafine-grained alloys implies that less solutes will be available in the matrix for precipitation with a decrease in the average grain size. -- Research Highlights: → Atom probe tomography has been employed successfully to reveal unique segregation of solutes at ultrafine grained material. → Mg and Cu elements segregated strongly at the grain boundary of an ultrafine grained Al-Zn-Mg-Cu alloy processed by 4-pass and 8-pass ECAP at 200 o C. Zn frequently depleted at GBs with a Zn depletion region of 7-15 nm in width on one or both sides of the GBs. Only a small fraction (3/13) of GBs were observed with a low level of Zn segregation where the combined Mg and Cu excess is over 3.1 atom/nm 2 . Si appeared selectively segregated at some of the GBs. → The increase in number of ECAP passes from 4 to 8 correlated with the increase in mean level segregation of Mg and Cu for both solute excess and peak concentration. → The change of plane normal of a grain boundary within 30 o only leads to a slight change in the solute segregation level.

Simulation of inter- and transgranular crack propagation in polycrystalline aggregates due to stress corrosion cracking

International Nuclear Information System (INIS)

Musienko, Andrey; Cailletaud, Georges

2009-01-01

The motivation of the study is the development of a coupled approach able to account for the interaction between environment and plasticity in a polycrystalline material. The paper recalls first the constitutive equations used to describe the behavior of the grain core and of the grain boundary (GB). The procedure that is applied to generate synthetic polycrystalline aggregates with an explicit representation of the grain boundary area by 2D or 3D finite elements is then described. The approach is applied to the modeling of iodine-assisted stress corrosion cracking (IASCC) in Zircaloy tubes used in nuclear power plants.

Creep of quartz by dislocation and grain boundary processes

Science.gov (United States)

Fukuda, J. I.; Holyoke, C. W., III; Kronenberg, A. K.

2015-12-01

Wet polycrystalline quartz aggregates deformed at temperatures T of 600°-900°C and strain rates of 10-4-10-6 s-1 at a confining pressure Pc of 1.5 GPa exhibit plasticity at low T, governed by dislocation glide and limited recovery, and grain size-sensitive creep at high T, governed by diffusion and sliding at grain boundaries. Quartz aggregates were HIP-synthesized, subjecting natural milky quartz powder to T=900°C and Pc=1.5 GPa, and grain sizes (2 to 25 mm) were varied by annealing at these conditions for up to 10 days. Infrared absorption spectra exhibit a broad OH band at 3400 cm-1 due to molecular water inclusions with a calculated OH content (~4000 ppm, H/106Si) that is unchanged by deformation. Rate-stepping experiments reveal different stress-strain rate functions at different temperatures and grain sizes, which correspond to differing stress-temperature sensitivities. At 600-700°C and grain sizes of 5-10 mm, flow law parameters compare favorably with those for basal plasticity and dislocation creep of wet quartzites (effective stress exponents n of 3 to 6 and activation enthalpy H* ~150 kJ/mol). Deformed samples show undulatory extinction, limited recrystallization, and c-axis maxima parallel to the shortening direction. Similarly fine-grained samples deformed at 800°-900°C exhibit flow parameters n=1.3-2.0 and H*=135-200 kJ/mol corresponding to grain size-sensitive Newtonian creep. Deformed samples show some undulatory extinction and grain sizes change by recrystallization; however, grain boundary deformation processes are indicated by the low value of n. Our experimental results for grain size-sensitive creep can be compared with models of grain boundary diffusion and grain boundary sliding using measured rates of silicon grain boundary diffusion. While many quartz mylonites show microstructural and textural evidence for dislocation creep, results for grain size-sensitive creep may apply to very fine-grained (<10 mm) quartz mylonites.

Grain-boundary, glassy-phase identification and possible artifacts

International Nuclear Information System (INIS)

Simpson, Y.K.; Carter, C.B.; Sklad, P.; Bentley, J.

1985-01-01

Specimen artifacts such as grain boundary grooving, surface damage of the specimen, and Si contamination are shown experimentally to arise from the ion milling used in the preparation of transmission electron microscopy specimens. These artifacts in polycrystalline, ceramic specimens can cause clean grain boundaries to appear to contain a glassy phase when the dark-field diffuse scattering technique, the Fresnel fringe technique, and analytical electron microscopy (energy dispersive spectroscopy) are used to identify glassy phases at a grain boundary. The ambiguity in interpreting each of these techniques due to the ion milling artifacts will be discussed from a theoretical view point and compared to experimental results obtained for alumina

Influence of Al grain boundaries segregations and La-doping on embrittlement of intermetallic NiAl

Energy Technology Data Exchange (ETDEWEB)

Kovalev, Anatoly I., E-mail: a_kovalev@sprg.ru; Wainstein, Dmitry L.; Rashkovskiy, Alexander Yu.

2015-11-01

Highlights: • We investigated Al grain boundaries segregations in ordered pure and La-doped NiAl. • Structural segregation of Al decreases critical strain for brittle cracks nucleation. • La alloying sharply improves plasticity of NiAl intermetallic. • Metallicity of interatomic bonds on grain boundaries increases at La alloying. • We have experimentally measured by EELFS that La atoms are located in Al sublattice. - Abstract: The microscopic nature of intergranular fracture of NiAl was experimentally investigated by the set of electron spectroscopy techniques. The paper demonstrates that embrittlement of NiAl intermetallic compound is caused by ordering of atomic structure that leads to formation of structural aluminum segregations at grain boundaries (GB). Such segregations contain high number of brittle covalent interatomic bonds. The alloying by La increases the ductility of material avoiding Al GB enrichment and disordering GB atomic structure. The influence of La alloying on NiAl mechanical properties was investigated. GB chemical composition, atomic and electronic structure transformations after La doping were investigated by AES, XPS and EELFS techniques. To qualify the interatomic bonds metallicity the Fermi level (E{sub F}) position and electrons density (n{sub eff}) in conduction band were determined in both undoped and doped NiAl. Basing on experimental results the physical model of GB brittleness formation was proposed.

Crack-tip chemistry modeling of stage I stress corrosion cracking

International Nuclear Information System (INIS)

Jones, R.H.; Simonen, E.P.

1991-10-01

Stage I stress corrosion cracking usually exhibits a very strong K dependence with Paris law exponents of up to 30. 2 Model calculations indicate that the crack velocity in this regime is controlled by transport through a salt film and that the K dependence results from crack opening controlled salt film dissolution. An ionic transport model that accounts for both electromigration through the resistive salt film and Fickian diffusion through the aqueous solution was used for these predictions. Predicted crack growth rates are in excellent agreement with measured values for Ni with P segregated to the grain boundaries and tested in IN H 2 SO 4 at +900 mV. This salt film dissolution may be applicable to stage I cracking of other materials

Partially melted zone cracking in AA6061 welds

International Nuclear Information System (INIS)

Prasad Rao, K.; Ramanaiah, N.; Viswanathan, N.

2008-01-01

Partially melted zone (PMZ) cracking susceptibility in AA6061 alloy was studied. Role of prior thermal history, gas tungsten arc welding techniques such as continuous current (CC) and pulsed current (PC) and use of different fillers (AA4043 and AA5356) were studied. Role of different grain refiners such as scandium, zirconium and Tibor in the above fillers was studied. Varestraint test was used to study the PMZ cracking susceptibility. Metallurgical analysis was done to corroborate the results. PMZ cracking was severe in T6 temper than in T4 irrespective of filler material. PMZ cracking susceptibility was more with AA5356 than in AA4043. It was less with pulsed current GTAW. PMZ cracking susceptibility was reduced with addition of grain refiners. Out of all, lowest PMZ cracking susceptibility was observed with 0.5%Sc addition to fusion zone through AA4043 filler and PC technique. The concentrations of magnesium and silicon were reduced at the PMZ grain boundaries with grain refiner additions to fusion zone through AA5356 or AA4043

Partially melted zone cracking in AA6061 welds

Energy Technology Data Exchange (ETDEWEB)

Prasad Rao, K. [Department of Metallurgical and Materials Engineering, Indian Institute of Technology Madras, Chennai (India)], E-mail: kpr@iitm.ac.in; Ramanaiah, N. [Sri Kalahasteeswara Institute of Technology, Srikalahasti (India); Viswanathan, N. [Defence Research and Development Laboratory, Hyderabad (India)

2008-07-01

Partially melted zone (PMZ) cracking susceptibility in AA6061 alloy was studied. Role of prior thermal history, gas tungsten arc welding techniques such as continuous current (CC) and pulsed current (PC) and use of different fillers (AA4043 and AA5356) were studied. Role of different grain refiners such as scandium, zirconium and Tibor in the above fillers was studied. Varestraint test was used to study the PMZ cracking susceptibility. Metallurgical analysis was done to corroborate the results. PMZ cracking was severe in T6 temper than in T4 irrespective of filler material. PMZ cracking susceptibility was more with AA5356 than in AA4043. It was less with pulsed current GTAW. PMZ cracking susceptibility was reduced with addition of grain refiners. Out of all, lowest PMZ cracking susceptibility was observed with 0.5%Sc addition to fusion zone through AA4043 filler and PC technique. The concentrations of magnesium and silicon were reduced at the PMZ grain boundaries with grain refiner additions to fusion zone through AA5356 or AA4043.

The Pinning by Particles of Low and High Angle Grain Boundaries during Grain Growth

DEFF Research Database (Denmark)

Tweed, C.J.; Ralph, B.; Hansen, Niels

1984-01-01

A study has been made using transmission electron microscopy of the pinning of grain boundaries in aluminium during grain growth by fine dispersions of alumina particles. The boundary parameters have been determined with precision and the pinning effects measured using an approach due to Ashby...

Chemically assisted crack nucleation in zircaloy

International Nuclear Information System (INIS)

Williford, R.E.

1985-01-01

Stress corrosion cracking models (proposed to explain fuel rod failures) generally address crack propagation and cladding rupture, but frequently neglect the necessary nucleation stage for microcracks small enough to violate fracture mechanics continuum requirements. Intergranular microcrack nucleation was modeled with diffusion-controlled grain-boundary cavitation concepts, including the effects of metal embrittlement by iodine species. Computed microcrack nucleation times and strains agree with experimental observation, but the predicted grain-boundary cavities are so small that detection may be difficult. Without a protective oxide film intergranular microcracks can nucleate within 30 s at even low stresses when the embrittler concentration exceeds a threshold value. Indications were found that intergranular microcrack nucleation may be caused by combined corrosive and embrittlement phenomena. (orig.)

In-situ transmission electron microscopy study of glissile grain boundary dislocation relaxation in a near Σ = 3 {1 1 1} grain boundary in copper

International Nuclear Information System (INIS)

Couzinie, J.P.; Decamps, B.; Boulanger, L.; Priester, L.

2005-01-01

An in-situ annealing experiment has been performed on an intergranular dislocation configuration composed only of glissile grain boundary dislocations observed in a near Σ = 3 {1 1 1} grain boundary in copper. Relaxation phenomena are not obvious than those predicted by theoretical models. Upon annealing, glissile intergranular dislocations are shown to overcome dislocation obstacles by node movement leading to a decrease of the total grain boundary energy

Science at the interface : grain boundaries in nanocrystalline metals.

Energy Technology Data Exchange (ETDEWEB)

Rodriguez, Mark Andrew; Follstaedt, David Martin; Knapp, James Arthur; Brewer, Luke N.; Holm, Elizabeth Ann; Foiles, Stephen Martin; Hattar, Khalid M.; Clark, Blythe B.; Olmsted, David L.; Medlin, Douglas L.

2009-09-01

Interfaces are a critical determinant of the full range of materials properties, especially at the nanoscale. Computational and experimental methods developed a comprehensive understanding of nanograin evolution based on a fundamental understanding of internal interfaces in nanocrystalline nickel. It has recently been shown that nanocrystals with a bi-modal grain-size distribution possess a unique combination of high-strength, ductility and wear-resistance. We performed a combined experimental and theoretical investigation of the structure and motion of internal interfaces in nanograined metal and the resulting grain evolution. The properties of grain boundaries are computed for an unprecedented range of boundaries. The presence of roughening transitions in grain boundaries is explored and related to dramatic changes in boundary mobility. Experimental observations show that abnormal grain growth in nanograined materials is unlike conventional scale material in both the level of defects and the formation of unfavored phases. Molecular dynamics simulations address the origins of some of these phenomena.

Molecular dynamics study on microstructure of near grain boundary distortion region in small grain size nano- NiAl alloy

International Nuclear Information System (INIS)

Wang, J.Y.; Wang, X.W.; Rifkin, J.; Li, D.X.

2001-12-01

Using the molecular dynamics simulation method, the microstructure of distortion region near curved amorphous-like grain boundary in nano-NiAl alloy is studied. The results showed that due to the internal elastic force of high energy grain boundary, distortion layer exists between grain and grain boundary. The lattice expansion and structure factor decreasing are observed in this region. Stacking fault in sample with grain size 3.8nm is clearly observed across the distortion region at the site very close to grain. The influences of different grain sizes on average distortion degree and volume fractions of distortion region, grain and grain boundary are also discussed. (author)

Modeling of grain boundary stresses in Alloy 600

Energy Technology Data Exchange (ETDEWEB)

Kozaczek, K.J. [Oak Ridge National Lab., TN (United States); Sinharoy, A.; Ruud, C.O. [Pennsylvania State Univ., University Park, PA (United States); Mcllree, A.R. [Electric Power Research Inst., Palo Alto, CA (United States)

1995-04-01

Corrosive environments combined with high stress levels and susceptible microstructures can cause intergranular stress corrosion cracking (IGSCC) of Alloy 600 components on both primary and secondary sides of pressurized water reactors. One factor affecting the IGSCC is intergranular carbide precipitation controlled by heat treatment of Alloy 600. This study is concerned with analysis of elastic stress fields in vicinity of M{sub 7}C{sub 3} and M{sub 23}C{sub 6} carbides precipitated in the matrix and at a grain boundary triple point. The local stress concentration which can lead to IGSCC initiation was studied using a two-dimensional finite element model. The intergranular precipitates are more effective stress raisers than the intragranular precipitates. The combination of the elastic property mismatch and the precipitate shape can result in a local stress field substantially different than the macroscopic stress. The maximum local stresses in the vicinity of the intergranular precipitate were almost twice as high as the applied stress.

Grain boundary and grain interior conduction in {gamma}'-Bi{sub 2}MoO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Vera, C.M.C. [Laboratorio de Peliculas Delgadas, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, 1063 Buenos Aires (Argentina)]. E-mail: cvera@fi.uba.ar; Aragon, R. [Laboratorio de Peliculas Delgadas, Facultad de Ingenieria, Universidad de Buenos Aires, Paseo Colon 850, 1063 Buenos Aires (Argentina); CINSO, CONICET, CITEFA, Lasalle 4397, Villa Martelli, Buenos Aires (Argentina)

2005-07-25

Impedance spectroscopy of fine grained (<10 {mu}m) {gamma}'-Bi{sub 2}MoO{sub 6} samples, in the frequency range of 0.1 Hz-250 kHz, relevant to sensor applications, up to 800 deg. C, has been used to characterize grain boundary and grain interior contributions to conduction. Above 500 deg. C, the grain boundary contribution is no longer rate limiting and conduction is dominated by the grain interior component. The corresponding activation energies are 0.98 eV for grain boundary and 0.73 eV for grain interior components. The weak dependence of conductivity on oxygen partial pressure below 500 deg. C can be attributed to electrode-electrolyte interface phenomena, whereas the robust response to ethanol is commensurate with changes in intrinsic ionic conductivity.

Observing grain boundaries in CVD-grown monolayer transition metal dichalcogenides

KAUST Repository

Ly, Thuchue

2014-11-25

Two-dimensional monolayer transition metal dichalcogenides (TMdCs), driven by graphene science, revisit optical and electronic properties, which are markedly different from bulk characteristics. These properties are easily modified due to accessibility of all the atoms viable to ambient gases, and therefore, there is no guarantee that impurities and defects such as vacancies, grain boundaries, and wrinkles behave as those of ideal bulk. On the other hand, this could be advantageous in engineering such defects. Here, we report a method of observing grain boundary distribution of monolayer TMdCs by a selective oxidation. This was implemented by exposing directly the TMdC layer grown on sapphire without transfer to ultraviolet light irradiation under moisture-rich conditions. The generated oxygen and hydroxyl radicals selectively functionalized defective grain boundaries in TMdCs to provoke morphological changes at the boundary, where the grain boundary distribution was observed by atomic force microscopy and scanning electron microscopy. This paves the way toward the investigation of transport properties engineered by defects and grain boundaries. (Figure Presented).

UO2 Grain Growth: Developing Phase Field Models for Pore Dragging, Solute Dragging and Anisotropic Grain Boundary Energies

International Nuclear Information System (INIS)

Ahmed, K.; Tonks, M.; Zhang, Y.; Biner, B.

2016-01-01

A detailed phase field model for the effect of pore drag on grain growth kinetics was implemented in MARMOT. The model takes into consideration both the curvature-driven grain boundary motion and pore migration by surface diffusion. As such, the model accounts for the interaction between pore and grain boundary kinetics, which tends to retard the grain growth process. Our 2D and 3D simulations demonstrate that the model capture all possible pore-grain boundary interactions proposed in theoretical models. For high enough surface mobility, the pores move along with the migrating boundary as a quasi-rigid-body, albeit hindering its migration rate compared to the pore-free case. For less mobile pores, the migrating boundary can separate from the pores. For the pore-controlled grain growth kinetics, the model predicts a strong dependence of the growth rate on the number of pores, pore size, and surface diffusivity in agreement with theroretical models. An evolution equation for the grain size that includes these parameters was derived and showed to agree well with numerical solution. It shows a smooth transition from boundary-controlled kinetics to pore-controlled kinetics as the surface diffusivity decreases or the number of pores or their size increases. This equation can be utilized in BISON to give accurate estimate for the grain size evolution. This will be accomplished in the near future. The effect of solute drag and anisotropy of grain boundary on grain growth will be investigated in future studies.

Low-cycle fatigue-cracking mechanisms in fcc crystalline materials

Science.gov (United States)

Zhang, P.; Qu, S.; Duan, Q. Q.; Wu, S. D.; Li, S. X.; Wang, Z. G.; Zhang, Z. F.

2011-01-01

The low-cycle fatigue (LCF) cracking behavior in various face-centered-cubic (fcc) crystalline materials, including Cu single crystals, bicrystals and polycrystals, Cu-Al and Cu-Zn alloys, ultrafine-grained (UFG) Al-Cu and Cu-Zn alloys, was systematically investigated and reviewed. In Cu single crystals, fatigue cracking always nucleates along slip bands and deformation bands. The large-angle grain boundary (GB) becomes the preferential site in bicrystals and polycrystals. In addition, fatigue cracking can also nucleate along slip bands and twin boundaries (TBs) in polycrystalline materials. However, shear bands and coarse deformation bands are observed to the preferential sites for fatigue cracking in UFG materials with a large number of GBs. Based on numerous observations on fatigue-cracking behavior, the fatigue-cracking mechanisms along slip bands, GBs, TBs, shear bands and deformation bands were systematically compared and classified into two types, i.e. shear crack and impingement crack. Finally, these fatigue-cracking behaviors are discussed in depth for a better understanding of their physical nature and the transition from intergranular to transgranular cracking in various fcc crystalline materials. These comprehensive results for fatigue damage mechanisms should significantly aid in obtaining the optimum design to further strengthen and toughen metallic materials in practice.

Studies about diffusion through grain boundary

International Nuclear Information System (INIS)

Allevato, C.E.

1983-01-01

Samples with layers of gold-silver and silver-chromium were deposited in high vacuum (10 -5 -10 -6 Torr) on glass and sodium chloride substrates. After deposition, these films were annealed at different temperatures and analysed by Rutherford Backscattering, Auger Spesctroscopy and Transmission Electron Microscopy. A simulated convolution was done using a computer in order to evalute the precision of the particle detector employed in the backscattering. The concentration profiles used to determine the diffusion coefficient were obtained by Auger electron spectroscopy. This technique demanded a study of sputtering rate to convert time of sputtering in thickness. This rate was determined by two methods. Analyses of the samples of silver-chromium, heated up to 250 0 C, by transmission electron microscopy and Auger electron spectroscopy, indicated the presence of oxide in small isolated regions, as crystallites. Values of the diffusion coefficient and activation energy related to the diffusion through the volume and by the grain boundary were determined by Suzuoka's method. The system Ag/Cr, due to its high grain boundary density, led to an increase of the diffusion coefficient so that this coefficient and the activation energy were obtained only from the grain boundary. (Author) [pt

Cadmium Telluride and Grain Boundaries: A Preliminary Study

Science.gov (United States)

Liao, Michael Evan

The efficacy of the CdCl2 treatment on polycrystalline CdTe-based solar cells was discovered over a quarter of a century ago; and yet, the exact mechanism of this treatment is still not fully understood to this day. In fact, the lack of understanding stems from a debate on the exact role of grain boundaries in CdCl2-treated CdTe solar cells. Some hypothesize that the CdCl2-treatment causes grain boundaries to become beneficial to solar cell performance while others disagree and claim that the treatment simply mitigates the harmful effects of grain boundaries via passivation. A future goal of this project is to determine which, if either, hypothesis is correct by direct wafer bonding single crystalline CdTe. Direct wafer bonding of single crystalline materials would create only one grain boundary at the bonded interface. This approach allows the orientation and surface chemistry of interfaces to be controlled in order to study the chemistry of grain boundaries methodically. However, before any direct wafer bonding can be done, a preliminary study of single crystalline CdTe is necessary. High-quality direct wafer bonding can only be achieved if the surfaces of each wafer satisfy certain requirements. Additionally, analyzing single crystalline CdTe materials prior to bonding is crucial in order to make any insightful connections between results found from direct bonding of single crystalline CdTe and what is observed in polycrystalline CdTe. First, the surface of an (001) CdTe layer epitaxially grown on an (001) InSb substrate is studied using atomic force microscopy. Stacking faults on the CdTe surface are observed and the thickness of the grown CdTe epilayer is calculated by considering the interplanar angles between the (001) and (111) crystallographic planes as well as the dimensions of the stacking faults. While the stacking faults will inhibit successful wafer bonding, the roughness of the regions outside the stacking faults is 0.9 nm, which is an acceptable

Grain-boundary unzipping by oxidation in polycrystalline graphene

Science.gov (United States)

Alexandre, Simone; Lucio, Aline; Nunes, Ricardo

2011-03-01

The need for large-scale production of graphene will inevitably lead to synthesis of the polycrystalline material [1,2]. Understanding the chemical, mechanical, and electronic properties of grain boundaries in graphene polycrystals will be crucial for the development of graphene-based electronics. Oxidation of this material has been suggested to lead to graphene ribbons, by the oxygen-driven unzipping mechanism. A cooperative-strain mechanism, based on the formation of epoxy groups along lines of parallel bonds in the hexagons of graphene's honeycomb lattice, was proposed to explain the unzipping effect in bulk graphene In this work we employ ab initio calculations to study the oxidation of polycrystalline graphene by chemisorption of oxygen at the grain boundaries. Our results indicate that oxygen tends to segregate at the boundaries, and that the unzipping mechanism is also operative along the grain boundaries, despite the lack of the parallel bonds due to the presence of fivefold and sevenfold carbon rings along the boundary core. We acknowledge support from the Brazilian agencies: CNPq, Fapemig, and INCT-Materiais de Carbono.

Cross-sectional measurement of grain boundary segregation using WDS

Energy Technology Data Exchange (ETDEWEB)

Christien, F., E-mail: frederic.christien@emse.fr [Laboratoire Georges Friedel, CNRS, Ecole des Mines de Saint-Etienne, 158 Cours Fauriel, 42023 Saint-Etienne (France); Risch, P. [Institut des Matériaux Jean Rouxel (IMN), CNRS, Université de Nantes, Rue Christian Pauc, 44306 Nantes (France)

2016-11-15

A new method is proposed for the quantification of grain boundary segregation using Wavelength Dispersive Spectroscopy (WDS) in a Scanning Electron Microscope (SEM). Analyses are undertaken on a simple metallographically polished section of material. The method is demonstrated for the model system of sulphur segregation to nickel grain boundaries. Quantification was carried out from sulphur concentration profiles acquired across 11 grain boundaries of a nickel specimen containing 5.4 wt ppm of sulphur in the bulk and equilibrated at 550 °C. The average sulphur grain boundary concentration determined is µ=35.2 ng cm{sup −2}=6.6×10{sup 14} atoms cm{sup −2}≈0.5 monolayer, which is in good agreement with a previous quantification obtained from SIMS (Secondary Ion Mass Spectrometry) on the same material. However this is lower by a factor of two than the quantification obtained using “surface” techniques on fractured specimens of the same material. With the conditions of analysis used in this study, the limit of detection of the method developed is found to be better than 10% of a sulphur monolayer. - Highlights: • Impurity grain boundary segregation can be measured using WDS in a SEM. • The method proposed is quantitative. • The specimen preparation is simple: metallographical section.

Radiation-induced grain boundary segregation in austenitic stainless steels

International Nuclear Information System (INIS)

Bruemmer, S.M.; Charlot, L.A.; Vetrano, J.S.; Simonen, E.P.

1994-11-01

Radiation-induced segregation (RIS) to grain boundaries in Fe-Ni-Cr-Si stainless alloys has been measured as a function of irradiation temperature and dose. Heavy-ion irradiation was used to produce damage levels from 1 to 20 displacements per atom (dpa) at temperatures from 175 to 550 degrees C. Measured Fe, Ni, and Cr segregation increased sharply with irradiation dose (from G to 5 dpa) and temperature (from 175 to about 350 degrees C). However, grain boundary concentrations did not change significantly as dose or temperatures were further increased. Although interfacial compositions were similar, the width of radiation-induced enrichment or depletion profiles increased consistently with increasing dose or temperature. Impurity segregation (Si and P) was also measured, but only Si enrichment appeared to be radiation-induced. Grain boundary Si peaked at levels approaching 10 at% after irradiation doses to 10 dpa at an intermediate temperature of 325 degrees C. No evidence of grain boundary silicide precipitation was detected after irradiation at any temperature. Equilibrium segregation of P was measured in the high-P alloys, but interfacial concentration did not increase with irradiation exposure. Comparisons to reported RIS in neutron-irradiated stainless steels revealed similar grain boundary compositional changes for both major alloying and impurity elements

Impurity effects on the grain boundary cohesion in copper

Science.gov (United States)

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.

Study of grain boundary tunneling in barium-titanate ceramic films

CERN Document Server

Wong, H; Poon, M C

1999-01-01

The temperature and the electric-field dependences of the current-voltage characteristics and the low-frequency noise of barium-titanate ceramic films are studied. An abnormal field dependence is observed in the resistivity of BaTiO sub 3 materials with a small average grain size. In addition, experiments show that the low-frequency noise behaviors are governed by grain-boundary tunneling at room temperature and by trapping-detrapping of grain-boundary states at temperatures above the Curie point. Physical models for the new observations are developed. Results suggest that grain-boundary tunneling of carriers is as important as the double Schottky barrier in the current conduction in BaTiO sub 3 materials with small grain sizes.

Micromechanical Modeling of Grain Boundaries Damage in a Copper Alloy Under Creep

International Nuclear Information System (INIS)

Voese, Markus

2015-01-01

In order to include the processes on the scale of the grain structure into the description of the creep behaviour of polycrystalline materials, the damage development of a single grain boundary has been initially investigated in the present work. For this purpose, a special simulationmethod has been used, whose resolution procedure based on holomorphic functions. The mechanisms taken into account for the simulations include nucleation, growth by grain boundary diffusion, coalescence and shrinkage until complete sintering of grain boundary cavities. These studies have then been used to develop a simplified cavitation model, which describes the grain boundary damage by two state variables and the time-dependent development by a mechanism-oriented rate formulation. To include the influence of grain boundaries within continuum mechanical considerations of polycrystals, an interface model has been developed, that incorporates both damage according to the simplified cavitation model and grain boundary sliding in dependence of a phenomenological grain boundary viscosity. Furthermore a micromechanical model of a polycrystal has been developed that allows to include a material's grain structure into the simulation of the creep behaviour by means of finite element simulations. Thereby, the deformations of individual grains are expressed by a viscoplastic single crystal model and the grain boundaries are described by the proposed interface model. The grain structure is represented by a finite element model, in which the grain boundaries are modelled by cohesive elements. From the evaluation of experimental creep data, the micromechanical model of a polycrystal has been calibrated for a copper-antimony alloy at a temperature of 823 K. Thereby, the adjustment of the single crystal model has been carried out on the basis of creep rates of pure copper single crystal specimens. The experimental determination of grain boundary sliding and grain boundary porosity for coarse-grained

Improvement of creep-rupture properties by serrated grain boundaries in high-tungsten cobalt-base superalloys

International Nuclear Information System (INIS)

Tanaka, Manabu

1993-01-01

The improvement of creep-rupture properties by serrated grain boundaries was investigated using cobalt-base superalloys containing about 14 to 20 wt.% tungsten at 1089 and 1311 K. Serrated grain boundaries improved both the rupture life and the ductility, especially under lower stresses at 1089 K. The increase in rupture life was larger in the alloys containing a larger amount of W. Ductile grain boundary fracture surfaces, which involved dimple patterns and grain boundary ledges, were observed in the specimens with serrated grain boundaries whereas brittle grain boundary facets were observed in the specimens with normal straight grain boundaries ruptured at 1089 K. The strengthening by serrated grain boundaries was also effective at 1311 K, but there was little difference in rupture life between the specimens with serrated grain boundaries and those with straight grain boundaries under lower stresses, since serrated grain boundaries developed also in the specimens with straight grain boundaries according to grain boundary precipitates forming during creep at 1311 K. The increase in W content of the alloys led to the increase in rupture life of the specimens with serrated grain boundaries at 1089 and 1311 K. (orig.) [de

Grain-boundary melting: A Monte Carlo study

DEFF Research Database (Denmark)

Besold, Gerhard; Mouritsen, Ole G.

1994-01-01

Grain-boundary melting in a lattice-gas model of a bicrystal is studied by Monte Carlo simulation using the grand canonical ensemble. Well below the bulk melting temperature T(m), a disordered liquidlike layer gradually emerges at the grain boundary. Complete interfacial wetting can be observed...... when the temperature approaches T(m) from below. Monte Carlo data over an extended temperature range indicate a logarithmic divergence w(T) approximately - ln(T(m)-T) of the width of the disordered layer w, in agreement with mean-field theory....

Grain Boundary Complexions

Science.gov (United States)

2014-05-01

Cantwell et al. / Acta Materialia 62 (2014) 1–48 challenging from a scientific perspective, but it can also be very technologically rewarding , given the...energy) is a competing explanation that remains to be explored. Strategies to drive the grain boundary energy toward zero have produced some success...Thompson AM, Soni KK, Chan HM, Harmer MP, Williams DB, Chabala JM, et al. J Am Ceram Soc 1997;80:373. [172] Behera SK. PhD dissertation, Materials Science

Factors controlling nitrate cracking of mild steel

International Nuclear Information System (INIS)

Donovan, J.A.

1977-01-01

Nitrite and hydroxide ions inhibit the growth of nitrate stress corrosion cracks in mild steel. Crack growth measurements showed that sufficient concentrations of nitrite and hydroxide ions can prevent crack growth; however, insufficient concentrations of these ions did not influence the Stage II growth rate or the threshold stress intensity, but extended the initiation time. Stage III growth was discontinuous. Oxide formed in the grain boundaries ahead of the crack tip and oxide dissolution (Stage II) and fracture (Stage III) are the proposed mechanisms of nitrate stress corrosion crack growth

Metallographic screening of grain boundary engineered type 304 austenitic stainless steel

Energy Technology Data Exchange (ETDEWEB)

Hanning, F., E-mail: Fabian.Hanning@googlemail.com; Engelberg, D.L., E-mail: Dirk.engelberg@manchester.ac.uk

2014-08-15

An electrochemical etching method for the identification of grain boundary engineered type 304 austenitic stainless steel microstructures is described. The method can be applied for rapid microstructure screening to complement electron backscatter diffraction analysis. A threshold parameter to identify grain boundary engineered microstructure is proposed, and the application of metallographic etching for characterising the degree of grain boundary engineering discussed. - Highlights: • As-received (annealed) and grain boundary engineered microstructures were compared. • Electro-chemical polarisation in nitric acid solutions was carried out. • A metallographic screening method has been developed. • The screening method complements EBSD analysis for microstructure identification.

Grain boundary engineering of highly deformable ceramics

International Nuclear Information System (INIS)

Mecartney, M.L.

2000-01-01

Highly deformable ceramics can be created with the addition of intergranular silicate phases. These amorphous intergranular phases can assist in superplastic deformation by relieving stress concentrations and minimizing grain growth if the appropriate intergranular compositions are selected. Examples from 3Y-TZP and 8Y-CSZ ceramics are discussed. The grain boundary chemistry is analyzed by high resolution analytical TEM is found to have a strong influence on the cohesion of the grains both at high temperature and at room temperature. Intergranular phases with a high ionic character and containing large ions with a relatively weak bond strength appear to cause premature failure. In contrast, intergranular phases with a high degree of covalent character and similar or smaller ions than the ceramic and a high ionic bond strength are the best for grain boundary adhesion and prevention of both cavitation at high temperatures and intergranular fracture at room temperature

The atomic-scale origins of grain boundary superconducting properties

International Nuclear Information System (INIS)

Pennycook, S.J.; Chisholm, M.F.; Buban, J.; Browning, N.D.; Prouteau, C.; Univ. of Illinois, Chicago, IL; Nellist, P.D.

1998-02-01

Due to the extremely short coherence lengths of the high-T c superconductors, defects such as grain boundaries are obvious barriers to the flow of supercurrent. Within a few months of the discovery of these materials, it was shown how the critical current dropped four orders of magnitude as the grain boundary misorientation increased from zero to 45 degree. Even today, there is no quantitative understanding of this behavior. A qualitative understanding is however possible through atomic resolution Z-contrast imaging on YBa 2 Cu 3 O 7-δ and SrTiO 3 bicrystal grain boundaries, combined with bond-valence-sum analysis. The Z-contrast image of a YBa 2 Cu 3 O 7-δ low angle grain boundary shows the same kind of reconstructed dislocation cores as seen in SrTiO 3 , containing reconstructions on both the Cu and Y/Ba sublattices. An image of an asymmetric 30 degree boundary in YBa 2 Cu 3 O 7-δ shows the same units and unit sequence as expected for SrTiO 3 . YBa 2 Cu 3 O 7-δ boundaries are wavy because of their non-equilibrium growth process, and therefore mostly asymmetric in nature, although small segments have the symmetric structure. It seems reasonable to assume that boundaries of other angles will also have similar structures in these two materials

Technique to eliminate helium induced weld cracking in stainless steels

International Nuclear Information System (INIS)

Chin-An Wang; Chin, B.A.

1992-01-01

Experiments have shown that Type 316 stainless steel is susceptible to heat-affected-zone (HAZ) cracking upon cooling when welded using the gas tungsten arc (GTA) process under lateral constraint. The cracking has been hypothesized to be caused by stress-assisted helium bubble growth and rupture at grain boundaries. This study utilized an experimental welding setup which enabled different compressive stresses to be applied to the plates during welding. Autogenous GTA welds were produced in Type 316 stainless steel doped with 256 appm helium. The application of a compressive stress, 55 Mpa, during welding suppressed the previously observed catastrophic cracking. Detailed examinations conducted after welding showed a dramatic change in helium bubble morphology. Grain boundary bubble growth along directions parallel to the weld was suppressed. Results suggest that stress-modified welding techniques may be used to suppress or eliminate helium-induced cracking during joining of irradiated materials

Diffusive Fractionation of Lithium Isotopes in Olivine Grain Boundaries

Science.gov (United States)

Homolova, V.; Watson, E. B.

2012-12-01

Diffusive fractionation of isotopes has been documented in silicate melts, aqueous fluids, and single crystals. In polycrystalline rocks, the meeting place of two grains, or grain boundaries, may also be a site of diffusive fractionation of isotopes. We have undertaken an experimental and modeling approach to investigate diffusive fractionation of lithium (Li) isotopes by grain boundary diffusion. The experimental procedure consists of packing a Ni metal capsule with predominantly ground San Carlos olivine and subjecting the capsule to 1100C and 1GPa for two days in a piston cylinder apparatus to create a nominally dry, 'dunite rock'. After this synthesis step, the capsule is sectioned and polished. One of the polished faces of the 'dunite rock' is then juxtaposed to a source material of spodumene and this diffusion couple is subject to the same experimental conditions as the synthesis step. Li abundances and isotopic profiles (ratios of count rates) were analyzed using LA-ICP-MS. Li concentrations linearly decrease away from the source from 550ppm to the average concentration of the starting olivine (2.5ppm). As a function of distance from the source, the 7Li/6Li ratio decreases to a minimum before increasing to the background ratio of the 'dunite rock'. The 7Li/6Li ratio minimum coincides with the lowest Li concentrations above average 'dunite rock' abundances. The initial decrease in the 7Li/6Li ratio is similar to that seen in other studies of diffusive fractionation of isotopes and is thought to be caused by the higher diffusivity (D) of the lighter isotope relative to the heavier isotope. The relationship between D and mass (m) is given by (D1/D2) =(m2/m1)^β, where β is an empirical fractionation factor; 1 and 2 denote the lighter and heavier isotope, respectively. A fit to the Li isotopic data reveals an effective DLi of ~1.2x10^-12 m/s^2 and a β of 0.1. Numerical modelling was utilized to elucidate the relationship between diffusive fractionation

Analysis of grain boundaries, twin boundaries, and Te precipitates in CdZnTe grown by high-pressure Bridgeman method

International Nuclear Information System (INIS)

Heffelfinger, J.R.; Medlin, D.L.; James, R.B.

1998-03-01

Grain boundaries and twin boundaries in commercial Cd 1-x Zn x Te, which is prepared by a high pressure Bridgeman technique, have been investigated with transmission electron microscopy, scanning electron microscopy, infrared light microscopy and visible light microscopy. Boundaries inside these materials were found to be decorated with Te precipitates. The shape and local density of the precipitates were found to depend on the particular boundary. For precipitates that decorate grain boundaries, their microstructure was found to consist of a single, saucer shaped grain of hexagonal Te (space group P3 1 21). Analysis of a Te precipitate precipitates by selected area diffraction revealed the Te to be aligned with the surrounding Cd 1-x Zn x Te grains. This alignment was found to match the (111) Cd 1-x Z x Te planes with the (1 bar 101) planes of hexagonal Te. Crystallographic alignments between the Cd 1-x Zn x Te grains were also observed for a high angle grain boundary. The structure of the grain boundaries and the Te/Cd 1-x Zn x Te interface are discussed

Influence of plastic slip localization on grain boundary stress fields and microcrack nucleation

International Nuclear Information System (INIS)

Sauzay, Maxime; Vor, Kokleang

2013-01-01

Slip localization is widely observed in metallic polycrystals after tensile deformation, cyclic deformation (persistent slip bands) or pre-irradiation followed by tensile deformation (channels). Such strong deformation localized in thin slip bands induces local stress concentrations in the quasi-elastic matrix around, at the intersections between slip bands and grain boundaries where microcracks are often observed. Since the work of Stroh, such stress fields have been modeled using the dislocation pile-up theory which leads to stress singularities similar to the LEFM ones. The Griffith criterion has then been widely applied, leading usually to strong underestimations of the macroscopic stress for microcrack nucleation. In fact, slip band thickness is finite: 50-1000 nm depending on material, temperature and loading conditions. Then, many slip planes are plastically activated through the thickness. Stress fields have probably been overestimated using the pile-up theory which assumes that all dislocations are located on the same atomic plane. To evaluate more realistic stress fields, crystalline finite element (FE) computations are carried out using microstructure inputs (slip band aspect ratio and spacing). Slip bands (low critical resolved shear stress) are embedded in an elastic matrix. The following results are obtained concerning grain boundary normal stress fields: - strong influence of slip band thickness close to the slip band corner, which is not accounted for by the pile-up theory. But far away, the thickness has a negligible effect and the predicted stress fields are close to the one predicted by the pile-up theory, - analytical formulae are deduced from the numerous FE computation results which allows the prediction of surface/bulk slips as well as grain boundary stress fields. Slip band plasticity parameters, slip band length and thickness, Schmid factor and remote stress are taken into account. The dependence with respect to the various parameters can

The Role of Grain Orientation and Grain Boundary Characteristics in the Mechanical Twinning Formation in a High Manganese Twinning-Induced Plasticity Steel

Science.gov (United States)

Shterner, Vadim; Timokhina, Ilana B.; Rollett, Anthony D.; Beladi, Hossein

2018-04-01

In the current study, the dependence of mechanical twinning on grain orientation and grain boundary characteristics was investigated using quasi in-situ tensile testing. The grains of three main orientations (i.e., , , and parallel to the tensile axis (TA)) and certain characteristics of grain boundaries (i.e., the misorientation angle and the inclination angle between the grain boundary plane normal and the TA) were examined. Among the different orientations, and were the most and the least favored orientations for the formation of mechanical twins, respectively. The orientation was intermediate for twinning. The annealing twin boundaries appeared to be the most favorable grain boundaries for the nucleation of mechanical twinning. No dependence was found for the inclination angle of annealing twin boundaries, but the orientation of grains on either side of the annealing twin boundary exhibited a pronounced effect on the propensity for mechanical twinning. Annealing twin boundaries adjacent to high Taylor factor grains exhibited a pronounced tendency for twinning regardless of their inclination angle. In general, grain orientation has a significant influence on twinning on a specific grain boundary.

Concurrent atomistic and continuum simulation of bi-crystal strontium titanate with tilt grain boundary.

Science.gov (United States)

Yang, Shengfeng; Chen, Youping

2015-03-08

In this paper, we present the development of a concurrent atomistic-continuum (CAC) methodology for simulation of the grain boundary (GB) structures and their interaction with other defects in ionic materials. Simulation results show that the CAC simulation allows a smooth passage of cracks through the atomistic-continuum interface without the need for additional constitutive rules or special numerical treatment; both the atomic-scale structures and the energies of the four different [001] tilt GBs in bi-crystal strontium titanate obtained by CAC compare well with those obtained by existing experiments and density function theory calculations. Although 98.4% of the degrees of freedom of the simulated atomistic system have been eliminated in a coarsely meshed finite-element region, the CAC results, including the stress-strain responses, the GB-crack interaction mechanisms and the effect of the interaction on the fracture strength, are comparable with that of all-atom molecular dynamics simulation results. In addition, CAC simulation results show that the GB-crack interaction has a significant effect on the fracture behaviour of bi-crystal strontium titanate; not only the misorientation angle but also the atomic-level details of the GB structure influence the effect of the GB on impeding crack propagation.

Grain boundary engineering for control of tellurium diffusion in GH3535 alloy

Science.gov (United States)

Fu, Cai-Tao; Yinling, Wang; Chu, Xiang-Wei; Jiang, Li; Zhang, Wen-Zhu; Bai, Qin; Xia, Shuang; Leng, Bin; Li, Zhi-Jun; Ye, Xiang-Xi; Liu, Fang

2017-12-01

The effect of grain boundary engineering (GBE) on the Te diffusion along the surface grain boundaries was investigated in GH3535 alloy. It can be found that GBE treatment increases obviously the fraction of low-Σ coincidence site lattice (CSL) boundaries, especially the Σ3 ones, and introduces the large-size grain clusters. When the as-received (AR) and GBE-treated (GBET) specimens were exposed to Te vapor, only Σ3 boundaries were found to be resistant to Te diffusion. From the cross section and the surface, the fewer Te-attacked grain boundaries and the thinner corrosion layer can be observed in the GBET sample. The improvement of resistance to Te diffusion in the GBET sample can be attributed to the large size grain-clusters associated with high proportion of the Σ3n boundaries.

Simulation of grain boundary effects on electronic transport in metals, and detailed causes of scattering

Energy Technology Data Exchange (ETDEWEB)

Feldman, Baruch [Process Technology Modeling, Design and Technology Solutions, Technology and Manufacturing Group, Intel Corporation, Santa Clara, CA 95052 (United States); Department of Physics, University of Washington, Seattle, WA 98195 (United States); Park, Seongjun; Haverty, Michael; Shankar, Sadasivan [Process Technology Modeling, Design and Technology Solutions, Technology and Manufacturing Group, Intel Corporation, Santa Clara, CA 95052 (United States); Dunham, Scott T. [Department of Physics, University of Washington, Seattle, WA 98195 (United States); Department of Electrical Engineering, University of Washington, Seattle, WA 98195 (United States)

2010-07-15

We present first-principles simulations of single grain boundary reflectivity of electrons in noble metals, Cu and Ag. We examine twin and non-twin grain boundaries using non-equilibrium Green's function and first principles methods. We also investigate the determinants of reflectivity in grain boundaries by modeling atomic vacancies, disorder, and orientation and find that both the change in grain orientation and disorder in the boundary itself contribute significantly to reflectivity. We find that grain boundary reflectivity may vary widely depending on the grain boundary structure, consistent with published experimental results. Finally, we examine the reflectivity from multiple grain boundaries and find that grain boundary reflectivity may depend on neighboring grain boundaries. This study raises some potential limitations in the independent grain boundary assumptions of the Mayadas-Shatzkes (MS) model. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

AES/STEM grain boundary analysis of stabilized zirconia ceramics

NARCIS (Netherlands)

Winnubst, Aloysius J.A.; Kroot, P.J.M.; Burggraaf, A.J.

1983-01-01

Semiquantitative Auger Electron Spectroscopy (AES) on pure monophasic (ZrO2)0.83(YO1.5)0.17 was used to determine the chemical composition of the grain boundaries. Grain boundary enrichment with Y was observed with an enrichment factor of about 1.5. The difference in activation energy of the ionic

Grain centre mapping - 3DXRD measurements of average grain characteristics

DEFF Research Database (Denmark)

Oddershede, Jette; Schmidt, Søren; Lyckegaard, Allan

2014-01-01

characteristics of each grain (such as their centre-of-mass positions, volumes, phases, orientations and/or elastic strain tensor components), while the exact locations of the grain boundaries are unknown. In the present chapter a detailed description of the setup and software for both grain centre mapping...... and the closely related boxscan method is given. Both validation experiments and applications for in situ studies of microstructural changes during plastic deformation and crack growth are given. Finally an outlook with special emphasis on coupling the measured results with modelling is given....

Grain-boundary free energy in an assembly of elastic disks.

Science.gov (United States)

Lusk, Mark T; Beale, Paul D

2004-02-01

Grain-boundary free energy is estimated as a function of misoriention for symmetric tilt boundaries in an assembly of nearly hard disks. Fluctuating cell theory is used to accomplish this since the most common techniques for calculating interfacial free energy cannot be applied to such assemblies. The results are analogous to those obtained using a Leonard-Jones potential, but in this case the interfacial energy is dominated by an entropic contribution. Disk assemblies colorized with free and specific volume elucidate differences between these two characteristics of boundary structure. Profiles are also provided of the Helmholtz and Gibbs free energies as a function of distance from the grain boundaries. Low angle grain boundaries are shown to follow the classical relationship between dislocation orientation/spacing and misorientation angle.

Atomic scale study of grain boundary segregation before carbide nucleation in Ni-Cr-Fe Alloys

Science.gov (United States)

Li, Hui; Xia, Shuang; Liu, Wenqing; Liu, Tingguang; Zhou, Bangxin

2013-08-01

Three dimensional chemical information concerning grain boundary segregation before carbide nucleation was characterized by atom probe tomography in two Ni-Cr-Fe alloys which were aged at 500 °C for 0.5 h after homogenizing treatment. B, C and Si atoms segregation at grain boundary in Alloy 690 was observed. B, C, N and P atoms segregation at grain boundary in 304 austenitic stainless steel was observed. C atoms co-segregation with Cr atoms at the grain boundaries both in Alloy 690 and 304 austenitic stainless steel was found, and its effect on the carbide nucleation was discussed. The amount of each segregated element at grain boundaries in the two Ni-Cr-Fe alloys were analyzed quantitatively. Comparison of the grain boundary segregation features of the two Ni-Cr-Fe alloys were carried out based on the experimental results. The impurity and solute atoms segregate inhomogeneously in the same grain boundary both in 304 SS and Alloy 690. The grain boundary segregation tendencies (Sav) are B (11.8 ± 1.4) > P (5.4 ± 1.4) > N (4.7 ± 0.3) > C (3.7 ± 0.4) in 304 SS, and B (6.9 ± 0.9) > C (6.7 ± 0.4) > Si (1.5 ± 0.2) in Alloy 690. Cr atoms may co-segregate with C atoms at grain boundaries before carbide nucleation at the grain boundaries both in 304 SS and Alloy 690. Ni atoms generally deplete at grain boundary both in 304 SS and Alloy 690. The literature shows that the Ni atoms may co-segregate with P atoms at grain boundaries [28], but the P atoms segregation do not leads to Ni segregation in the current study. In the current study, Fe atoms may segregate or deplete at grain boundary in Alloy 690. But Fe atoms generally deplete at grain boundary in 304 SS. B atoms have the strongest grain boundary segregation tendency both in 304 SS and Alloy 690. The grain boundary segregation tendency and Gibbs free energy of B in 304 SS is higher than in Alloy 690. C atoms are easy to segregate at grain boundaries both in 304 SS and Alloy 690. The grain boundary segregation

Nonlinear Dynamics of Vortices in Different Types of Grain Boundaries

Science.gov (United States)

Sheikhzada, Ahmad K.

As a major component of linear particle accelerators, superconducting radio-frequency (SRF) resonator cavities are required to operate with lowest energy dissipation and highest accelerating gradient. SRF cavities are made of polycrystalline materials in which grain boundaries can limit maximum RF currents and produce additional power dissipation sources due to local penetration of Josephson vortices. The essential physics of vortex penetration and mechanisms of dissipation of vortices driven by strong RF currents along networks of grain boundaries and their contribution to the residual surface resistance have not been well understood. To evaluate how GBs can limit the performance of SRF materials, particularly Nb and Nb3Sn, we performed extensive numerical simulations of nonlinear dynamics of Josephson vortices in grain boundaries under strong dc and RF fields. The RF power due to penetration of vortices both in weakly-coupled and strongly-coupled grain boundaries was calculated as functions of the RF field and frequency. The result of this calculation manifested a quadratic dependence of power to field amplitude at strong RF currents, an illustration of resistive behavior of grain boundaries. Our calculations also showed that the surface resistance is a complicated function of field controlled by penetration and annihilation of vortices and antivortices in strong RF fields which ultimately saturates to normal resistivity of grain boundary. We found that Cherenkov radiation of rapidly moving vortices in grain boundaries can produce a new instability causing generation of expanding vortex-antivortex pair which ultimately drives the entire GB in a resistive state. This effect is more pronounced in polycrystalline thin film and multilayer coating structures in which it can cause significant increase in power dissipation and results in hysteresis effects in I-V characteristics, particularly at low temperatures.

Nonlinear Dynamics of Vortices in Different Types of Grain Boundaries

Energy Technology Data Exchange (ETDEWEB)

Sheikhzada, Ahmad [Old Dominion Univ., Norfolk, VA (United States)

2017-05-01

As a major component of linear particle accelerators, superconducting radio-frequency (SRF) resonator cavities are required to operate with lowest energy dissipation and highest accelerating gradient. SRF cavities are made of polycrystalline materials in which grain boundaries can limit maximum RF currents and produce additional power dissipation sources due to local penetration of Josephson vortices. The essential physics of vortex penetration and mechanisms of dissipation of vortices driven by strong RF currents along networks of grain boundaries and their contribution to the residual surface resistance have not been well understood. To evaluate how GBs can limit the performance of SRF materials, particularly Nb and Nb3Sn, we performed extensive numerical simulations of nonlinear dynamics of Josephson vortices in grain boundaries under strong dc and RF fields. The RF power due to penetration of vortices both in weakly-coupled and strongly-coupled grain boundaries was calculated as functions of the RF field and frequency. The result of this calculation manifested a quadratic dependence of power to field amplitude at strong RF currents, an illustration of resistive behavior of grain boundaries. Our calculations also showed that the surface resistance is a complicated function of field controlled by penetration and annihilation of vortices and antivortices in strong RF fields which ultimately saturates to normal resistivity of grain boundary. We found that Cherenkov radiation of rapidly moving vortices in grain boundaries can produce a new instability causing generation of expanding vortex-antivortex pair which ultimately drives the entire GB in a resistive state. This effect is more pronounced in polycrystalline thin film and multilayer coating structures in which it can cause significant increase in power dissipation and results in hysteresis effects in I-V characteristics, particularly at low temperatures.

Transport properties of olivine grain boundaries from electrical conductivity experiments

Science.gov (United States)

Pommier, Anne; Kohlstedt, David L.; Hansen, Lars N.; Mackwell, Stephen; Tasaka, Miki; Heidelbach, Florian; Leinenweber, Kurt

2018-05-01

Grain boundary processes contribute significantly to electronic and ionic transports in materials within Earth's interior. We report a novel experimental study of grain boundary conductivity in highly strained olivine aggregates that demonstrates the importance of misorientation angle between adjacent grains on aggregate transport properties. We performed electrical conductivity measurements of melt-free polycrystalline olivine (Fo90) samples that had been previously deformed at 1200 °C and 0.3 GPa to shear strains up to γ = 7.3. The electrical conductivity and anisotropy were measured at 2.8 GPa over the temperature range 700-1400 °C. We observed that (1) the electrical conductivity of samples with a small grain size (3-6 µm) and strong crystallographic preferred orientation produced by dynamic recrystallization during large-strain shear deformation is a factor of 10 or more larger than that measured on coarse-grained samples, (2) the sample deformed to the highest strain is the most conductive even though it does not have the smallest grain size, and (3) conductivity is up to a factor of 4 larger in the direction of shear than normal to the shear plane. Based on these results combined with electrical conductivity data for coarse-grained, polycrystalline olivine and for single crystals, we propose that the electrical conductivity of our fine-grained samples is dominated by grain boundary paths. In addition, the electrical anisotropy results from preferential alignment of higher-conductivity grain boundaries associated with the development of a strong crystallographic preferred orientation of the grains.

Environment sensitive cracking in light water reactor pressure boundary materials

International Nuclear Information System (INIS)

Haenninen, H.; Aho-Mantila, I.

1985-01-01

The purpose of the paper is to review the available methods and the most promising future possibilities of preventive maintenance to counteract the various forms of environment sensitive cracking of pressure boundary materials in light water reactors. Environment sensitive cracking is considered from the metallurgical, mechanical and environmental point of view. The main emphasis is on intergranular stress corrosion cracking of austenitic stainless steels and high strenght Ni-base alloys, as well as on corrosion fatigue of low alloy and stainless steels. Finally, some general ideas how to predict, reduce or eliminate environment sensitive cracking in service are presented

Relationship between turbine rotor and disk metallurgical characteristics and stress corrosion cracking behavior. Final report

International Nuclear Information System (INIS)

Gayley, H.B.

1986-09-01

This report describes stress corrosion test results in which several heats of turbine rotor steels specially prepared to achieve different degrees of segregation to the grain boundaries were tested in concentrated laboratory and actual steam turbine environments. Grain boundary characteristics are considered important because turbine rotor failures in field service have been of an intergranular nature and because grain boundary segregation is known to affect the impact toughness of rotor steels (''temper embrittlement''). The laboratory stress corrosion testing results showed no differences between heavily and lightly segregated test pieces which differed greatly in impact toughness. All test specimens cracked, indicating the laboratory environments may have been too severe to allow differentiation between the various metallurgical conditions, if any differences exist. Test loops and autoclaves for chemical analysis and mechanical testing were designed, installed and are operating in the field testing portion of this program. No intergranular cracking has occurred to date; hence, no differentiation between heavily and lightly segregated test pieces has been possible in field testing. Instrumented crack propagation specimens, which permit measurement of cracking as it occurs, have been installed for the continuing field testing program. Correlation of such cracking with the continuously monitored chemical composition of the environment will increase understanding of the cracking process and may give the possibility of providing an early warning of the existence of conditions which might cause turbine rotor cracking

Migration energy barriers of symmetric tilt grain boundaries in body-centered cubic metal Fe

International Nuclear Information System (INIS)

Wu, Minghui; Gu, Jianfeng; Jin, Zhaohui

2015-01-01

Graphical abstract: DFT calculated migration energy barrier (left) for symmetric grain boundary in metals is an essential physical property to measure the trend of grain boundary migration, in particular, in terms of the classical homogeneous nucleation model of GB dislocation/disconnection loops (right). - Migration energy barriers of two symmetric tilt grain boundaries in body-centered cubic metal Fe are obtained via first-principles calculations in combination with the nudged elastic band methods. Although the two grain boundaries show similar grain boundary energies, the migration energy barriers are different. Based on a homogeneous nucleation theory of grain-boundary dislocation loops, the calculated energy barrier provides a measure of intrinsic grain-boundary mobility and helps to evaluate effects due to vacancy and interstitial atoms such as carbon

Applied Thermodynamics: Grain Boundary Segregation

Directory of Open Access Journals (Sweden)

Pavel Lejček

2014-03-01

Full Text Available Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation. Various components of the Gibbs energy of segregation, the standard and the excess ones as well as other thermodynamic state functions—enthalpy, entropy and volume—of interfacial segregation are derived and their physical meaning is elucidated. The importance of the thermodynamic state functions of grain boundary segregation, their dependence on volume solid solubility, mutual solute–solute interaction and pressure effect in ferrous alloys is demonstrated.

Electrical properties of grain boundaries in polycrystalline materials under intrinsic or low doping

International Nuclear Information System (INIS)

Chowdhury, M H; Kabir, M Z

2011-01-01

An analytical model is developed to study the electrical properties (electric field and potential distributions, potential energy barrier height and polarization phenomenon) of polycrystalline materials at intrinsic or low doping for detector and solar cell applications by considering an arbitrary amount of grain boundary charge and a finite width of grain boundary region. The general grain boundary model is also applicable to highly doped polycrystalline materials. The electric field and potential distributions are obtained by solving Poisson's equation in both depleted grains and grain boundary regions. The electric field and potential distributions across the detector are analysed under various doping, trapping and applied biases. The electric field collapses, i.e. a nearly zero-average electric field region exists in some part of the biased detector at high trapped charge densities at the grain boundaries. The model explains the conditions of existence of a zero-average field region, i.e. the polarization mechanisms in polycrystalline materials. The potential energy barrier at the grain boundary exists if the electric field changes its sign at the opposite side of the grain boundary. The energy barrier does not exist in all grain boundaries in the low-doped polycrystalline detector and it never exists in intrinsic polycrystalline detectors under applied bias condition provided that there is no charge trapping in the grain.

Effect of grain size upon the fatigue-crack propagation behavior of alloy 718 under hold-time cycling at elevated temperature

Energy Technology Data Exchange (ETDEWEB)

James, L A

1986-01-01

Fatigue-crack propagation tests were conducted in air at 538/sup 0/C on several specimens of Alloy 718 representing several different producers, melt practices and product forms. This variety resulted in a range of grain sizes from ASTM Size 5 to 11.5. Tests at low cyclic frequency employing a tensile hold-time revealed a relationship between crack growth rates and grain size: higher growth rates were associated with fine-grain material and lower rates with larger-grain material. The lowest crack growth rates were associated with a necklace microstructure, whereby large grains are associated with necklaces of very small grains.

Transformation of slip dislocation in ä3 grain boundary

Czech Academy of Sciences Publication Activity Database

Gemperlová, Juliana; Jacques, A.; Gemperle, Antonín; Zárubová, Niva

2002-01-01

Roč. 10, - (2002), s. 51-57 ISSN 0927-7056 R&D Projects: GA ČR GA202/98/1281; GA ČR GA202/01/0670 Institutional research plan: CEZ:AV0Z1010914 Keywords : in situ TEM * slip dislocations * grain boundary * grain boundary dislocations * plasticity Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.767, year: 2002

Influence of grain boundaries on elasticity and thermal conductivity of nanocrystalline diamond films

International Nuclear Information System (INIS)

Mohr, Markus; Daccache, Layal; Horvat, Sebastian; Brühne, Kai; Jacob, Timo; Fecht, Hans-Jörg

2017-01-01

Diamond combines several outstanding material properties such as the highest thermal conductivity and highest elastic moduli of all materials. This makes diamond an interesting candidate for a multitude of applications. Nonetheless, nanocrystalline diamond films, layers and coatings, usually show properties different to those of single crystalline diamond. This is usually attributed to the larger volume fraction of the grain boundaries with atomic structure different from the single crystal. In this work we measured Young's modulus and thermal conductivity of nanocrystalline diamond films with average grain sizes ranging from 6 to 15 nm. The measured thermal conductivities are modeled considering the thermal boundary conductance between grains as well as a grain size effect on the phonon mean free path. We make a comparison between elastic modulus and thermal boundary conductance of the grain boundaries G_k for different nanocrystalline diamond films. We conclude that the grain boundaries thermal boundary conductance G_k is a measure of the cohesive energy of the grain boundaries and therefore also of the elastic modulus of the nanocrystalline diamond films.

A phase field study of strain energy effects on solute–grain boundary interactions

International Nuclear Information System (INIS)

Heo, Tae Wook; Bhattacharyya, Saswata; Chen Longqing

2011-01-01

We have studied strain-induced solute segregation at a grain boundary and the solute drag effect on boundary migration using a phase field model integrating grain boundary segregation and grain structure evolution. The elastic strain energy of a solid solution due to the atomic size mismatch and the coherency elastic strain energy caused by the inhomogeneity of the composition distribution are obtained using Khachaturyan’s microelasticity theory. Strain-induced grain boundary segregation at a static planar boundary is studied numerically and the equilibrium segregation composition profiles are validated using analytical solutions. We then systematically studied the effect of misfit strain on grain boundary migration with solute drag. Our theoretical analysis based on Cahn’s analytical theory shows that enhancement of the drag force with increasing atomic size mismatch stems from both an increase in grain boundary segregation due to the strain energy reduction and misfit strain relaxation near the grain boundary. The results were analyzed based on a theoretical analysis in terms of elastic and chemical drag forces. The optimum condition for solute diffusivity to maximize the drag force under a given driving force was identified.

High-cycle fatigue behavior of ultrafine-grained austenitic stainless and TWIP steels

Energy Technology Data Exchange (ETDEWEB)

Hamada, A.S. [Materials Engineering Laboratory (4KOMT), Box 4200, University of Oulu, 90014 Oulu (Finland); Metallurgical and Materials Engineering Department, Faculty of Petroleum and Mining Engineering, Suez Canal University, Box 43721, Suez (Egypt); Karjalainen, L.P., E-mail: pentti.karjalainen@oulu.fi [Materials Engineering Laboratory (4KOMT), Box 4200, University of Oulu, 90014 Oulu (Finland)

2010-08-20

High-cycle fatigue behavior of ultrafine-grained (UFG) 17Cr-7Ni Type 301LN austenitic stainless and high-Mn Fe-22Mn-0.6C TWIP steels were investigated in a reversed plane bending fatigue and compared to the behavior of steels with conventional coarse grain (CG) size. Optical, scanning and transmission electron microscopy were used to examine fatigue damage mechanisms. Testing showed that the fatigue limits leading to fatigue life beyond 4 x 10{sup 6} cycles were about 630 MPa for 301LN while being 560 MPa for TWIP steel, and being 0.59 and 0.5 of the tensile strength respectively. The CG counterparts were measured to have the fatigue limits of 350 and 400 MPa. The primary damage caused by fatigue took place by grain boundary cracking in UFG 301LN, while slip band cracking occurred in CG 301LN. However, in the case of TWIP steel, the fatigue damage mechanism is similar in spite of the grain size. In the course of cycling neither the formation of a martensite structure nor mechanical twinning occurs, but intense slip bands are created with extrusions and intrusions. Fatigue crack initiates preferentially on grain and twin boundaries, and especially in the intersection sites of slip bands and boundaries.

Spatially resolved mapping of electrical conductivity across individual domain (grain) boundaries in graphene.

Science.gov (United States)

Clark, Kendal W; Zhang, X-G; Vlassiouk, Ivan V; He, Guowei; Feenstra, Randall M; Li, An-Ping

2013-09-24

All large-scale graphene films contain extended topological defects dividing graphene into domains or grains. Here, we spatially map electronic transport near specific domain and grain boundaries in both epitaxial graphene grown on SiC and CVD graphene on Cu subsequently transferred to a SiO2 substrate, with one-to-one correspondence to boundary structures. Boundaries coinciding with the substrate step on SiC exhibit a significant potential barrier for electron transport of epitaxial graphene due to the reduced charge transfer from the substrate near the step edge. Moreover, monolayer-bilayer boundaries exhibit a high resistance that can change depending on the height of substrate step coinciding at the boundary. In CVD graphene, the resistance of a grain boundary changes with the width of the disordered transition region between adjacent grains. A quantitative modeling of boundary resistance reveals the increased electron Fermi wave vector within the boundary region, possibly due to boundary induced charge density variation. Understanding how resistance change with domain (grain) boundary structure in graphene is a crucial first step for controlled engineering of defects in large-scale graphene films.

High angle grain boundaries as sources or sinks for point defects

Energy Technology Data Exchange (ETDEWEB)

Balluffi, R.W.

1979-09-01

A secondary grain boundary dislocation climb model for high angle grain boundaries as sources/sinks for point defects is described in the light of recent advances in our knowledge of grain boundary structure. Experimental results are reviewed and are then compared with the expected behavior of the proposed model. Reasonably good consistency is found at the level of our present understanding of the subject. However, several gaps in our present knowledge still exist, and these are identified and discussed briefly.

Influences of triple junctions on stress-assisted grain boundary motion in nanocrystalline materials

International Nuclear Information System (INIS)

Aramfard, Mohammad; Deng, Chuang

2014-01-01

Stress-assisted grain boundary motion is among the most studied modes of microstructural evolution in crystalline materials. In this study, molecular dynamics simulations were used to systematically investigate the influences of triple junctions on the stress-assisted motion of symmetric tilt grain boundaries in Cu by considering a honeycomb nanocrystalline model. It was found that the grain boundary motion in nanocrystalline models was highly sensitive to the loading mode, and a strong coupling effect which was prevalent in bicrystal models was only observed when simple shear was applied. In addition, the coupling factor extracted from the honeycomb model was found to be larger and more sensitive to temperature change than that from bicrystal models for the same type of grain boundary under the same loading conditions. Furthermore, the triple junctions seemed to exhibit unusual asymmetric pinning effects to the migrating grain boundary and the constraints by the triple junctions and neighboring grains led to remarkable non-linear grain boundary motion in directions both parallel and normal to the applied shear, which was in stark contrast to that observed in bicrystal models. In addition, dislocation nucleation and propagation, which were absent in the bicrystal model, were found to play an important role on shear-induced grain boundary motion when triple junctions were present. In the end, a generalized model for shear-assisted grain boundary motion was proposed based on the findings from this research. (paper)

Short intergranular cracks in the piecewise anisotropic continuum model of the microstructure

International Nuclear Information System (INIS)

Cizelj, L.; Kovse, I.

2001-01-01

Computational algorithms aiming at modeling and visualization of the initiation and growth of intergranular stress corrosion cracks (e.g., in the steam generator tubes) on the grain-size scale have already been proposed [6]. The main focus of the paper is given to the influence of randomly oriented neighboring grains on the microscopic stress fields at crack tips. The incompatibility strains, which develop along the boundaries of randomly oriented anisotropic grains, are shown to influence the local stress fields at crack tips significantly. Special attention has been paid to the implementation and comparison of different numerical methods estimating the local stress fields at crack tips, aiming at optimizing the computational time and the numerical accuracy of the results. The limited number of calculations indicate that the anisotropic arrangement of grains with local incompatibility strains causes on average about 10% (plane strain) and 26% (plane stress) higher J-integral values at the crack tips than expected from the calculations in the isotropic case.(author)

Relationship between thermal embrittlement and hydrogen cracking in 18Ni(250) maraging steel

International Nuclear Information System (INIS)

Rack, H.J.

1974-01-01

The role of grain boundary precipitate structure on the stress corrosion susceptibility of 18Ni(250) maraging steel was examined. Varying solution treatment procedures were used to achieve either a precipitate-free grain boundary or one containing a high density of Ti(C,N) particles. The introduction of these treatments, although drastically affecting the monotonic fracture toughness, did not significantly alter the stress corrosion threshold in 100 percent relative humidity. These results are shown to be consistent with the previous suggestion that, under open circuit conditions, hydrogen-assisted cracking controls the environmental crack growth behavior of 18Ni maraging steels. (U.S.)

Effect of heat treatment conditions on stress corrosion cracking resistance of alloy X-750 in high temperature water

International Nuclear Information System (INIS)

Yonezawa, Toshio; Onimura, Kichiro; Sakamoto, Naruo; Sasaguri, Nobuya; Susukida, Hiroshi; Nakata, Hidenori.

1984-01-01

In order to improve the resistance of the Alloy X-750 in high temperature and high purity water, the authors investigated the influence of heat treatment condition on the stress corrosion cracking resistance of the alloy. This paper describes results of the stress corrosion cracking test and some discussion on the mechanism of the stress corrosion cracking of Alloy X-750 in deaerated high temperature water. The following results were obtained. (1) The stress corrosion cracking resistance of Alloy X-750 in deaerated high temperature water remarkably depended upon the heat treatment condition. The materials solution heat treated and aged within temperature ranges from 1065 to 1100 0 C and from 704 to 732 0 C, respectively, have a good resistance to the stress corrosion cracking in deaerated high temperature water. Especially, water cooling after the solution heat treatment gives an excellent resistance to the stress corrosion cracking in deaerated high temperature water. (2) Any correlations were not observed between the stress corrosion cracking susceptibility of Alloy X-750 in deaerated high temperature water and grain boundary chromium depleted zones, precipitate free zones and the grain boundary segregation of impurity elements and so on. It appears that there are good correlations between the stress corrosion cracking resistance of the alloy in the environment and the kinds, morphology and coherency of precipitates along the grain boundaries. (author)

Grain boundary precipitation strengthening mechanism in W containing advanced creep resistant ferritic steels

Energy Technology Data Exchange (ETDEWEB)

Shibata, T.; Hasegawa, Y. [Tohoku Univ., Sendai (Japan)

2010-07-01

Grain boundary precipitation strengthening is expected to be a decisive factor in developing ferritic creep resistant steels. This study examined the grain boundary precipitation strengthening mechanism extracting the effect of the tempered martensitic microstructure and precipitates on the high angle grain boundary in M{sub 23}C4{sub 6} type carbide and the Fe{sub 2}W type Laves phase effect of the creep deformation fixing the grain boundary according to transmission electron microscope (TEM) observation. A creep test was carried out at high temperature in order to evaluate the high angle boundary strengthening effect simulating the long-term creep deformation microstructure by the lath structure disappearance. The correlation of the creep rupture time and the grain boundary shielding ratio were found to be independent of precipitate type. The creep deformation model represents block boundary shielding by precipitates as the decisive factor for W containing ferritic creep resistant steels. (orig.)

Retardation of grain boundary self-diffusion in nickel doped with antimony and tin

International Nuclear Information System (INIS)

Padgett, R.A.; White, C.L.

1984-01-01

Many important metallurgical phenomena are strongly influenced or controlled by grain boundary mass transport. There is also much evidence that the composition of grain boundaries is often significantly different from the overall composition of metals and alloys, owing to strong segregation of residual (and often undetected) impurities. This segregation, which does not always advertise its presence through grain boundary brittleness, may vary markedly from heat to heat, and occasionally from specimen to specimen within a given heat. Unfortunately, there are relatively few experimental observations of how such segregation affects grain boundary mass transport, and even less fundamental understanding of how these effects occur. In this paper we present autoradiographic results on self-diffusion of 63 Ni in nickel and nickel doped with antimony and tin. While these results do not permit a quantitative evaluation of the grain boundary diffusivity, D, they qualitatively illustrate the dramatic effect that these solute elements have on the ability of nickel grain boundaries to act as preferential paths for mass transport

Interaction between particles and grain boundaries under conditions of cooperative migration

International Nuclear Information System (INIS)

Marvina, L.A.; Marvin, V.B.

1996-01-01

The analysis of particle grain boundary interaction is performed for dispersion hardened alloys when cooperative migration takes place. It is shown that in a general case the particle experiences a Zener force and a force of grain boundary surface tension due to boundary bending between particles. Approximate numerical estimates are made for the force acting on a particle in dispersion hardened alloy Ni-HfO 2 . It is noted that during cooperative migration of particle and grain boundary the velocity of the particle is directed along the resulting force. The latter equals the sum of surface tension and Zener forces. 6 refs., 2 figs

Changes in grain boundary composition induced by neutron irradiation of austenitic stainless steels

International Nuclear Information System (INIS)

Asano, K.; Nakata, K.; Fukuya, K.; Kodama, M.

1992-01-01

The radiation induced segregation of solutes to the grain boundary in austenitic stainless steels were studied. Type 304 and type 316 steel samples neutron irradiated at 561K up to 9.2x10 25 n/m 2 were obtained and minute compositional profiles across grain boundaries were examined using an analytical scanning transmission electron microscope equipped with a field emission electron gun. Chromium was slightly enriched at grain boundaries at the lowest irradiation dose but decreased with increasing fluence. Higher fluence irradiation resulted in depletion in chromium and molybdenum, and enrichment in nickel, silicon and phosphorus. These changes in grain boundary chemistry were limited within about 5nm of the boundary. Significant depletion of chromium and enrichment of impurities on the grain boundary occurred at fluences roughly coincidental with that of SCC susceptibility change obtained from another project

Wetting and crystallization at grain boundaries: Origin of aluminum-induced crystallization of amorphous silicon

International Nuclear Information System (INIS)

Wang, J.Y.; He, D.; Zhao, Y.H.; Mittemeijer, E.J.

2006-01-01

It has been shown experimentally that the grain boundaries in aluminium in contact with amorphous silicon are the necessary agents for initiation of the crystallization of silicon upon annealing temperatures as low as 438 K. Thermodynamic analysis has shown (i) that Si can 'wet' the Al grain boundaries due to the favorable Si/Al interface energy as compared to the Al grain-boundary energy and (ii) that Si at the Al grain boundaries can maintain its amorphous state up to a thickness of about 1.0 nm. Beyond that thickness crystalline Si develops at the Al grain boundaries

Temperature dependence of grain boundary free energy and elastic constants

International Nuclear Information System (INIS)

Foiles, Stephen M.

2010-01-01

This work explores the suggestion that the temperature dependence of the grain boundary free energy can be estimated from the temperature dependence of the elastic constants. The temperature-dependent elastic constants and free energy of a symmetric Σ79 tilt boundary are computed for an embedded atom method model of Ni. The grain boundary free energy scales with the product of the shear modulus times the lattice constant for temperatures up to about 0.75 the melting temperature.

Investigation of slip transfer across HCP grain boundaries with application to cold dwell facet fatigue

International Nuclear Information System (INIS)

Zheng, Zebang; Balint, Daniel S.; Dunne, Fionn P.E.

2017-01-01

This paper addresses the role of grain boundary slip transfer and thermally-activated discrete dislocation plasticity in the redistribution of grain boundary stresses during cold dwell fatigue in titanium alloys. Atomistic simulations have been utilised to calculate the grain boundary energies for titanium with respect to the misorientation angles. The grain boundary energies are utilised within a thermally-activated discrete dislocation plasticity model incorporating slip transfer controlled by energetic and grain boundary geometrical criteria. The model predicts the grain size effect on the flow strength in Ti alloys. Cold dwell fatigue behaviour in Ti-6242 alloy is investigated and it is shown that significant stress redistribution from soft to hard grains occurs during the stress dwell, which is observed both for grain boundaries for which slip transfer is permitted and inhibited. However, the grain boundary slip penetration is shown to lead to significantly higher hard-grain basal stresses near the grain boundary after dwell, thus exacerbating the load shedding stress compared to an impenetrable grain boundary. The key property controlling the dwell fatigue response is argued to remain the time constant associated with the thermal activation process for dislocation escape, but the slip penetrability is also important and exacerbates the load shedding. The inclusion of a macrozone does not significantly change the conclusions but does potentially lead to the possibility of a larger initial facet.

Thermally activated phase slippage in high-Tc grain-boundary Josephson junctions

International Nuclear Information System (INIS)

Gross, R.; Chaudhari, P.; Dimos, D.; Gupta, A.; Koren, G.

1990-01-01

The effect of thermally activated phase slippage (TAPS) in YBa 2 Cu 3 O 7 grain-boundary Josephson junctions has been studied. TAPS has been found to be responsible for the dc noise voltage superimposed on the dc Josephson current near the transition temperature. Because of the reduced Josephson coupling energy of the grain-boundary junctions, which is caused by a reduced superconducting order parameter at the grain-boundary interface, TAPS is present over a considerable temperature range. The implications of TAPS on the applicability of high-T c Josephson junctions are outlined

Interactions between Dislocations and Grain Boundaries

NARCIS (Netherlands)

Soer, Wouter Anthon

2006-01-01

Dislocations (line defects) and grain boundaries (planar defects) are two types of lattice defects that are crucial to the deformation behavior of metals. Permanent deformation of a crystalline material is microscopically associated with the nucleation and propagation of dislocations, and extensive

Crystallographic fatigue crack growth in a polycrystal: simulations based on FEM and discrete dislocation dynamics

International Nuclear Information System (INIS)

Bertolino, G.; Sauzay, M.; Bertolino, G.; Doquet, V.

2003-01-01

An attempt to model the variability of short cracks development in high-cycle fatigue is made by coupling finite element calculations of the stresses ahead of a microcrack in a polycrystal with simulations of crack growth along slip planes based on discrete dislocations dynamics. The model predicts a large scatter in growth rates related to the roughness of the crack path. It also describes the influence of the mean grain size and the fact that overloads may suppress the endurance limit by allowing arrested cracks to cross the grain boundaries. (authors)

Concentration contours in lattics and grain boundary diffusion in a polycrystalline solid

International Nuclear Information System (INIS)

Kim, Yong Soo; Jae, Won Mok; El Saied, Usama; Olander, Donald R.

1995-01-01

Grain boundary diffusion plays significant role in the fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated inside fuel pellet have to diffuse in the lattice and in the grain boundary before they reach open space in the fuel rod. In the mean time, the grains in the fuel pellet grow and shrink according to grain growth kinetics, especially at elevated temperature at which nuclear reactors are operating. Thus the boundary movement ascribed to the grain growth greatly influences the fission gas release rate by lengthening or shortening the lattice diffusion distance, which is the rate limiting step. Sweeping fission gases by the moving boundary contributes to the increment of the fission gas release as well. Lattice and grain boundary diffusion processes in the fission gas release can be studied by 'tracer diffusion' technique, by which grain boundary diffusivity can be estimated and used directly for low burn up fission gas release analysis. However, even for tracer diffusion analysis, taking both the intragranular grain growth and the diffusion processes simultaneously into consideration is not easy. Only a few models accounting for the both processes are available and mostly handle them numerically. Numerical solutions are limited in the practical use. Here in this paper, an approximate analytical solution of the lattice and stationary grain boundary diffusion in a polycrystalline solid is developed for the tracer diffusion techniques. This short closed form solution is compared to available exact and numerical solutions and turns out to be acceptably accurate. It can be applied to the theoretical modeling and the experimental analysis, especially PIE (post irradiation examination), of low burn up fission gas release

Chevron defect at the intersection of grain boundaries with free surfaces in Au

International Nuclear Information System (INIS)

Radetic, T.; Lancon, F.; Dahmen, U.

2002-01-01

We have identified a new defect at the intersection between grain boundaries and surfaces in Au using atomic resolution transmission electron microscopy. At the junction line of 90 deg. tilt grain boundaries of (110)-(001) orientation with the free surface, a small segment of the grain boundary, about 1 nm in length, dissociates into a triangular region with a chevronlike stacking disorder and a distorted hcp structure. The structure and stability of these defects are confirmed by atomistic simulations, and we point out the relationship with the one-dimensional incommensurate structure of the grain boundary

Grain boundary diffusion in terms of the tempered fractional calculus

International Nuclear Information System (INIS)

Sibatov, R.T.; Svetukhin, V.V.

2017-01-01

Mathematical treatment of grain-boundary diffusion based on the model first proposed by Fisher is usually formulated in terms of normal diffusion equations in a two-component nonhomogeneous medium. On the other hand, fractional equations of anomalous diffusion proved themselves to be useful in description of grain-boundary diffusion phenomena. Moreover, the most important propagation regime predicted by Fisher's model demonstrates subdiffusive behavior. However, the direct link between fractional approach and the Fisher model and its modifications has not found yet. Here, we fill this gap and show that solution of fractional subdiffusion equation offers general properties of classical solutions obtained by Whipple and Suzuoka. The tempered fractional approach is a convenient tool for studying precipitation in granular materials as the tempered subdiffusion limited process. - Highlights: • The link connected fractional diffusion approach and Fisher's model of grain-boundary diffusion is derived. • The subdiffusion exponent of grain-boundary diffusion can differ from 1/2. • Nucleation in granular materials is modeled by the process limited by tempered subdiffusion.

Grain boundary diffusion in terms of the tempered fractional calculus

Energy Technology Data Exchange (ETDEWEB)

Sibatov, R.T., E-mail: ren_sib@bk.ru [Ulyanovsk State University, 432017, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation); Svetukhin, V.V. [Ulyanovsk State University, 432017, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation); Institute of Nanotechnology and Microelectronics of the Russian Academy of Sciences, 115487, 18 Nagatinskaya str., Moscow (Russian Federation)

2017-06-28

Mathematical treatment of grain-boundary diffusion based on the model first proposed by Fisher is usually formulated in terms of normal diffusion equations in a two-component nonhomogeneous medium. On the other hand, fractional equations of anomalous diffusion proved themselves to be useful in description of grain-boundary diffusion phenomena. Moreover, the most important propagation regime predicted by Fisher's model demonstrates subdiffusive behavior. However, the direct link between fractional approach and the Fisher model and its modifications has not found yet. Here, we fill this gap and show that solution of fractional subdiffusion equation offers general properties of classical solutions obtained by Whipple and Suzuoka. The tempered fractional approach is a convenient tool for studying precipitation in granular materials as the tempered subdiffusion limited process. - Highlights: • The link connected fractional diffusion approach and Fisher's model of grain-boundary diffusion is derived. • The subdiffusion exponent of grain-boundary diffusion can differ from 1/2. • Nucleation in granular materials is modeled by the process limited by tempered subdiffusion.

Environment sensitive cracking in pressure boundary materials of light water reactors

International Nuclear Information System (INIS)

Hanninen, H.; Aho-Mantila, I.; Torronen, K.

1987-08-01

A review of the various forms of environment sensitive cracking in pressure boundary materials of light water reactors is presented. The available methods and the most promising future possibilities of preventive maintenance to counteract the environmental degradation are evaluated. Environment sensitive cracking is considered from the metallurgical, mechanical and environmental point of view. The main emphasis is on intergranular stress corrosion cracking of austenitic stainless steels and high strength Ni-base alloys as well as on corrosion fatigue of low alloy and stainless steels. Additionally, some general ideas on how to predict, reduce, monitor or eliminate environment sensitive cracking in service are presented

An investigation of reheat cracking in the weld heat affected zone of type 347 stainless steel

Science.gov (United States)

Phung-On, Isaratat

2007-12-01

Reheat cracking has been a persistent problem for welding of many alloys such as the stabilized stainless steels: Types 321 and 347 as well as Cr-Mo-V steels. Similar problem occurs in Ni-base superalloys termed "strain-age cracking". Cracking occurs during the post weld heat treatment. The HAZ is the most susceptible area due to metallurgical reactions in solid state during both heating and cooling thermal cycle. Many investigations have been conducted to understand the RHC mechanism. There is still no comprehensive mechanism to explain its underlying mechanism. In this study, there were two proposed cracking mechanisms. The first is the formation of a PFZ resulting in local weakening and strain localization. The second is the creep-like grain boundary sliding that causes microvoid formation at the grain boundaries and the triple point junctions. Cracking occurs due to the coalescence of the microvoids that form. In this study, stabilized grade stainless steel, Type 347, was selected for investigation of reheat cracking mechanism due to the simplicity of its microstructure and understanding of its metallurgical behavior. The Gleeble(TM) 3800 system was employed due to its capability for precise control of both thermal and mechanical simulation. Cylindrical samples were subjected to thermal cycles for the HAZ simulation followed by PWHT as the reheat cracking test. "Susceptibility C-curves" were plotted as a function of PWHT temperatures and time to failure at applied stress levels of 70% and 80% yield strength. These C-curves show the possible relationship of the reheat cracking susceptibility and carbide precipitation behavior. To identify the mechanism, the sample shape was modified containing two flat surfaces at the center section. These flat surfaces were electro-polished and subjected to the HAZ simulation followed by the placement of the micro-indentation arrays. Then, the reheat cracking test was performed. The cracking mechanism was identified by tracing

Studies of Grain Boundaries in Materials Subjected to Diffusional Creep

DEFF Research Database (Denmark)

Nørbygaard, Thomas

Grain boundaries in crystalline Cu(2%Ni) creep specimens have been studied by use of scanning and transmission electron microscopy in order to establish the mechanism of deformation. Creep rate measurements and dependencies were found to fit reasonably well with the model for diffusional creep......) with the activity displayed during diffusional creep testing. It was found that boundaries with low deviation from perfect Σ did not contribute macroscopically to the creep strain. A resist deposition procedure was examined to improve the reference surface grid so as to allow determination of the grain boundary...... plane by use of simple stereomicroscopy directly on the surface. The etched pattern deteriorated heav-ily during creep testing, supposedly because of dislocation creep, due to exces-sive creep stress. Grain boundaries have been studied and characterised by TEM providing an insight into the diversity...

How grain boundaries affect the efficiency of poly-CdTe solar-cells: A fundamental atomic-scale study of grain boundary dislocation cores using CdTe bi-crystal thin films.

Energy Technology Data Exchange (ETDEWEB)

Klie, Robert [Univ. of Illinois, Chicago, IL (United States)

2016-10-25

It is now widely accepted that grain boundaries in poly-crystalline CdTe thin film devices have a detrimental effect on the minority carrier lifetimes, the open circuit voltage and therefore the overall solar-cell performance. The goal of this project was to develop a fundamental understanding of the role of grain boundaries in CdTe on the carrier life-time, open-circuit voltage, Voc, and the diffusion of impurities. To achieve this goal, i) CdTe bi-crystals were fabricated with various misorientation angels, ii) the atomic- and electronic structures of the grain boundaries were characterized using scanning transmission electron microscopy (STEM), and iii) first-principles density functional theory modeling was performed on the structures determined by STEM to predict the grain boundary potential. The transport properties and minority carrier lifetimes of the bi-crystal grain boundaries were measured using a variety of approaches, including TRPL, and provided feedback to the characterization and modeling effort about the effectiveness of the proposed models.

Effective search for stable segregation configurations at grain boundaries with data-mining techniques

Science.gov (United States)

Kiyohara, Shin; Mizoguchi, Teruyasu

2018-03-01

Grain boundary segregation of dopants plays a crucial role in materials properties. To investigate the dopant segregation behavior at the grain boundary, an enormous number of combinations have to be considered in the segregation of multiple dopants at the complex grain boundary structures. Here, two data mining techniques, the random-forests regression and the genetic algorithm, were applied to determine stable segregation sites at grain boundaries efficiently. Using the random-forests method, a predictive model was constructed from 2% of the segregation configurations and it has been shown that this model could determine the stable segregation configurations. Furthermore, the genetic algorithm also successfully determined the most stable segregation configuration with great efficiency. We demonstrate that these approaches are quite effective to investigate the dopant segregation behaviors at grain boundaries.

Structure and transport at grain boundaries in polycrystalline olivine: An atomic-scale perspective

Science.gov (United States)

Mantisi, Boris; Sator, Nicolas; Guillot, Bertrand

2017-12-01

Structure and transport properties at grain boundaries in polycrystalline olivine have been investigated at the atomic scale by molecular dynamics simulation (MD) using an empirical ionocovalent interaction potential. On the time scale of the simulation (a few tens of nanoseconds for a system size of ∼650,000 atoms) grain boundaries and grain interior were identified by mapping the atomic displacements along the simulation run. In the investigated temperature range (1300-1700 K) the mean thickness of the grain boundary phase is evaluated between 0.5 and 2 nm, a value which depends on temperature and grain size. The structure of the grain boundary phase is found to be disordered (amorphous-like) and is different from the one exhibited by the supercooled liquid. The self-diffusion coefficients of major elements in the intergranular region range from ∼10-13 to 10-10 m2/s between 1300 and 1700 K (with DSigb Kubo relation expressing the viscosity as function of the stress tensor time correlation function. In spite of a slow convergence of the calculation by MD, the grain boundary viscosity was estimated about ∼105 Pa s at 1500 K, a value in agreement with high-temperature viscoelastic relaxation data. An interesting information gained from MD is that sliding at grain boundaries is essentially controlled by the internal friction between the intergranular phase and the grain edges.

Development of helium porosity near-by grain boundaries in nickel-carbon alloys

International Nuclear Information System (INIS)

Reutov, I.V.; Reutov, V.F.

1995-01-01

The peculiarities of development of helium porosity near grain boundaries in nickel with 0.002-0.065 at.% carbon uniformly doped with helium up to 2·10 -2 at.% in the process of post-irradiation isothermal annealing at 800 deg C for 1-50 hours are studied. It is stated that at this annealing temperature intensive nucleation and growth of bubbles are observed in near-boundary region whose width grows both with increase of annealing time and carbon content. The TEM studies have shown that in near-boundary zone itself the process of bubble growth is non-uniform: bubble size increases and their density decreases as the distance from grain boundary is increased. The effect observed is discussed from the point of view of formation of two zones with different level of swelling in a grain (near-by boundary and matrix) and consequently, hydrostatic stress as well conditioning the flux of vacancies and helium-vacancy complexes from matrix to grain boundary. 8 refs., 5 figs

New deformation model of grain boundary strengthening in polycrystalline metals

International Nuclear Information System (INIS)

Trefilov, V.I.; Moiseev, V.F.; Pechkovskij, Eh.P.

1988-01-01

A new model explaining grain boundary strengthening in polycrystalline metals and alloys by strain hardening due to localization of plastic deformation in narrow bands near grain boundaries is suggested. Occurrence of localized deformation is caused by different flow stresses in grains of different orientation. A new model takes into account the active role of stress concentrator, independence of the strengthening coefficient on deformation, influence of segregations. Successful use of the model suggested for explanation of rhenium effect in molybdenum and tungsten is alloys pointed out

Atomic scale study of grain boundary segregation before carbide nucleation in Ni–Cr–Fe Alloys

Energy Technology Data Exchange (ETDEWEB)

Li, Hui, E-mail: huili@shu.edu.cn [Key Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Institute of Materials, Shanghai University, Shanghai 200072 (China); Xia, Shuang [Institute of Materials, Shanghai University, Shanghai 200072 (China); Liu, Wenqing [Key Laboratory for Microstructures, Shanghai University, Shanghai 200444 (China); Liu, Tingguang; Zhou, Bangxin [Institute of Materials, Shanghai University, Shanghai 200072 (China)

2013-08-15

Highlights: • Impurities segregated at grain boundaries were observed by atom probe tomography. • The comparison of segregation features in two Ni–Cr–Fe alloys was studied by APT. • C and Cr atoms co-segregated at grain boundaries before carbide precipitation. -- Abstract: Three dimensional chemical information concerning grain boundary segregation before carbide nucleation was characterized by atom probe tomography in two Ni–Cr–Fe alloys which were aged at 500 °C for 0.5 h after homogenizing treatment. B, C and Si atoms segregation at grain boundary in Alloy 690 was observed. B, C, N and P atoms segregation at grain boundary in 304 austenitic stainless steel was observed. C atoms co-segregation with Cr atoms at the grain boundaries both in Alloy 690 and 304 austenitic stainless steel was found, and its effect on the carbide nucleation was discussed. The amount of each segregated element at grain boundaries in the two Ni–Cr–Fe alloys were analyzed quantitatively. Comparison of the grain boundary segregation features of the two Ni–Cr–Fe alloys were carried out based on the experimental results.

Grain boundaries and defects in superconducting Bi-Sr-Ca-Cu-O ceramics

International Nuclear Information System (INIS)

Ramesh, R.; Bagley, B.G.; Tarascon, J.M.; Green, S.M.; Rudee, M.L.; Luo, H.L.

1990-01-01

Defects and structural interfaces in superconducting Bi-Sr-Ca-Cu-O have been characterized by transmission electron microscopy. The superconducting phase exhibits frequent variations in the stacking sequence (polytypoids). Dislocations, observed inside the grains, either introduce or accommodate the shear in the a-b plane and the local composition fluctuations. In general, the grains exhibit a platelike morphology with the a-b plane as the grain boundary plane. Grain boundaries along the short edge are generally disordered, whereas those near the long edge generally have a thin layer of the lower T c polytypoid. Coherent intragranular boundaries are also observed

Complementary AES and AEM of grain boundary regions in irradiated γ'-strengthened alloys

International Nuclear Information System (INIS)

Farrell, K.; Kishimoto, N.; Clausing, R.E.; Heatherly, L.; Lehman, G.L.

1986-01-01

Two microchemical analysis techniques are used to measure solute segregation at grain boundaries in two γ'-strengthened, fcc Fe-Ni-Cr alloys that display radiation-induced intergranular fracture. Scanning Auger electron spectroscopy (AES) of grain boundary fracture surfaces and analytical electron microscopy (AEM) of intact grain boundaries using energy-dispersive x-ray spectroscopy show good agreement on the nature and extent of segregation. The elements Ni, Si, Ti, and Mo are found to accumulate in G, Laves and γ' phases on the grain boundaries. Segregation of P is detected by AES. The complementary features of the two analytical techniques are discussed briefly

Algorithm based on regional separation for automatic grain boundary extraction using improved mean shift method

Science.gov (United States)

Zhenying, Xu; Jiandong, Zhu; Qi, Zhang; Yamba, Philip

2018-06-01

Metallographic microscopy shows that the vast majority of metal materials are composed of many small grains; the grain size of a metal is important for determining the tensile strength, toughness, plasticity, and other mechanical properties. In order to quantitatively evaluate grain size in metals, grain boundaries must be identified in metallographic images. Based on the phenomenon of grain boundary blurring or disconnection in metallographic images, this study develops an algorithm based on regional separation for automatically extracting grain boundaries by an improved mean shift method. Experimental observation shows that the grain boundaries obtained by the proposed algorithm are highly complete and accurate. This research has practical value because the proposed algorithm is suitable for grain boundary extraction from most metallographic images.

Effect of grain boundary structures on the behavior of He defects in Ni: An atomistic study

Institute of Scientific and Technical Information of China (English)

H F Gong; Y Yan; X S Zhang; W Lv; T Liu; Q S Ren

2017-01-01

We investigated the effect of grain boundary structures on the trapping strength of HeN (N is the number of helium atoms) defects in the grain boundaries of nickel.The results suggest that the binding energy of an interstitial helium atom to the grain boundary plane is the strongest among all sites around the plane.The HeN defect is much more stable in nickel bulk than in the grain boundary plane.Besides,the binding energy of an interstitial helium atom to a vacancy is stronger than that to a grain boundary plane.The binding strength between the grain boundary and the HeN defect increases with the defect size.Moreover,the binding strength of the HeN defect to the Σ3 (1 12)[110] grain boundary becomes much weaker than that to other grain boundaries as the defect size increases.

Study on the high temperature crack resistance of tungsten

International Nuclear Information System (INIS)

Uskov, E.I.; Babak, A.V.

1983-01-01

The possibility of a multiple use of tungsten specimens in crack resistance tests in the temperature range of 600-2000 deg C is studied. It is established experimentally that the minimum length of growth of a main crack is 1x10 -4 m for the most effective repeated use of specimens. A flow diagram of mechanical tests is suggested for investigating high temperature tungsten crack resistance and estimating the degree of weakening the grain-boundary bond

Misorientation related microstructure at the grain boundary in a nickel-based single crystal superalloy

International Nuclear Information System (INIS)

Huang, Ming; Zhuo, Longchao; Liu, Zhanli; Lu, Xiaogang; Shi, Zhenxue; Li, Jiarong; Zhu, Jing

2015-01-01

The mechanical properties of nickel-based single crystal superalloys deteriorate with increasing misorientation, thus the finished product rate of the casting of single crystal turbine airfoils may be reduced due to the formation of grain boundaries especially when the misorientation angle exceeds to some extent. To this day, evolution of the microstructures at the grain boundaries with misorientation and the relationship between the microstructures and the mechanical properties are still unclear. In this work a detailed characterization of the misorientation related microstructure at the grain boundary in DD6 single crystal superalloy has been carried out using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) techniques; the elemental distribution at the grain boundaries has been analyzed by energy dispersive (EDS) X-ray mapping; and the effect of precipitation of μ phases at the grain boundary on the mechanical property has been evaluated by finite element calculation. It is shown that the proportion of γ phase at the grain boundaries decreases, while the proportion of γ′ phase at the grain boundaries increases with increasing misorientation; the μ phase is precipitated at the grain boundaries when the misorientation angle exceeds about 10° and thus it could lead to a dramatic deterioration of the mechanical properties, as well as that the enrichment of Re and W gradually disappears as the misorientation angle increases. All these factors may result in the degradation of the mechanical properties at the grain boundaries as the misorientation increases. Furthermore, the finite element calculation confirms that precipitation of μ phases at the grain boundary is responsible for the significant deterioration of the mechanical properties when the misorientation exceeds about 10°. This work provides a physical imaging of the microstructure for understanding the relationship between the mechanical properties and the misorientation

Fatigue damage in coarse-grained lean duplex stainless steels

Energy Technology Data Exchange (ETDEWEB)

Strubbia, R., E-mail: strubbia@ifir-conicet.gov.ar; Hereñú, S.; Marinelli, M.C.; Alvarez-Armas, I.

2016-04-06

The present investigation is focused on assessing the effect of a thermal treatment for grain coarsening on the low cycle fatigue damage evolution in two types of Lean Duplex Stainless Steels (LDSSs). The dislocation structure developed during cycling is observed by transmission electron microscopy (TEM). Additionally, a detailed analysis of short crack initiated and grown during low cycle fatigue (LCF) is performed by means of optical and scanning electron (SEM) microscopy in combination with automated electron back-scattered diffraction (EBSD) technique. Though in both coarse-grained LDSSs the short cracks nucleate in the ferrite phase, in each steels its origin is different. The embrittlement caused by the Cr{sub 2}N precipitation and the plastic activity sustained by each phase can explain this difference. The propagation behavior of the short cracks present two alternative growing mechanisms: the crack grows along a favorable slip plane with high Schmid Factor (SF) or the crack alternates between two slip systems. In both cases, the crack follows the path with the smallest tilt angle (β) at a grain boundary.

Effect of some structural parameters on high-temperature crack resistance of tungsten

International Nuclear Information System (INIS)

Babak, A.V.; Uskov, E.I.

1984-01-01

The paper presents results of physicomechanical studied in high-temperature crack resistance of tungsten produced by powder metallurgy methods. It is shown that at high temperatures (>2000 deg C) a structure is formed in the material and fails at stresses independent of temperature. It is found that high-temperature tungsten crack resistance is affected neighter by changes in the effictive grain size, nor by appearance of grain-boundary microcraks in the material under high-temperature action

Diffuse-interface polycrystal plasticity: expressing grain boundaries as geometrically necessary dislocations

Science.gov (United States)

Admal, Nikhil Chandra; Po, Giacomo; Marian, Jaime

2017-12-01

The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the system is modeled as a collection of boundary-value problems with matching boundary conditions. In this paper, we develop a diffuse-interface crystal plasticity model for polycrystalline materials that results in a single boundary-value problem with a single crystal as the reference configuration. Using a multiplicative decomposition of the deformation gradient into lattice and plastic parts, i.e. F( X,t)= F L( X,t) F P( X,t), an initial stress-free polycrystal is constructed by imposing F L to be a piecewise constant rotation field R 0( X), and F P= R 0( X)T, thereby having F( X,0)= I, and zero elastic strain. This model serves as a precursor to higher order crystal plasticity models with grain boundary energy and evolution.

The Cracking Mechanism of Ferritic-Austenitic Cast Steel

Directory of Open Access Journals (Sweden)

Stradomski G.

2016-12-01

Full Text Available In the high-alloy, ferritic - austenitic (duplex stainless steels high tendency to cracking, mainly hot-is induced by micro segregation processes and change of crystallization mechanism in its final stage. The article is a continuation of the problems presented in earlier papers [1 - 4]. In the range of high temperature cracking appear one mechanism a decohesion - intergranular however, depending on the chemical composition of the steel, various structural factors decide of the occurrence of hot cracking. The low-carbon and low-alloy cast steel casting hot cracking cause are type II sulphide, in high carbon tool cast steel secondary cementite mesh and / or ledeburite segregated at the grain solidified grains boundaries, in the case of Hadfield steel phosphorus - carbide eutectic, which carrier is iron-manganese and low solubility of phosphorus in high manganese matrix. In duplex cast steel the additional factor increasing the risk of cracking it is very “rich” chemical composition and related with it processes of precipitation of many secondary phases.

A creep rupture model accounting for cavitation at sliding grain boundaries

NARCIS (Netherlands)

Giessen, Erik van der; Tvergaard, Viggo

1991-01-01

An axisymmetric cell model analysis is used to study creep failure by grain boundary cavitation at facets normal to the maximum principal tensile stress, taking into account the influence of cavitation and sliding at adjacent inclined grain boundaries. It is found that the interaction between the

Ultra-low-angle boundary networks within recrystallizing grains

DEFF Research Database (Denmark)

Ahl, Sonja Rosenlund; Simons, Hugh; Zhang, Yubin

2017-01-01

We present direct evidence of a network of well-defined ultra-low-angle boundaries in bulk recrystallizing grains of 99.5% pure aluminium (AA1050) by means of a new, three-dimensional X-ray mapping technique; dark-field X-ray microscopy. These boundaries separate lattice orientation differences o...

Determination of grain boundary mobility during recrystallization by statistical evaluation of electron backscatter diffraction measurements

International Nuclear Information System (INIS)

Basu, I.; Chen, M.; Loeck, M.; Al-Samman, T.; Molodov, D.A.

2016-01-01

One of the key aspects influencing microstructural design pathways in metallic systems is grain boundary motion. The present work introduces a method by means of which direct measurement of grain boundary mobility vs. misorientation dependence is made possible. The technique utilizes datasets acquired by means of serial electron backscatter diffraction (EBSD) measurements. The experimental EBSD measurements are collectively analyzed, whereby datasets were used to obtain grain boundary mobility and grain aspect ratio with respect to grain boundary misorientation. The proposed method is further validated using cellular automata (CA) simulations. Single crystal aluminium was cold rolled and scratched in order to nucleate random orientations. Subsequent annealing at 300 °C resulted in grains growing, in the direction normal to the scratch, into a single deformed orientation. Growth selection was observed, wherein the boundaries with misorientations close to Σ7 CSL orientation relationship (38° 〈111〉) migrated considerably faster. The obtained boundary mobility distribution exhibited a non-monotonic behavior with a maximum corresponding to misorientation of 38° ± 2° about 〈111〉 axes ± 4°, which was 10–100 times higher than the mobility values of random high angle boundaries. Correlation with the grain aspect ratio values indicated a strong growth anisotropy displayed by the fast growing grains. The observations have been discussed in terms of the influence of grain boundary character on grain boundary motion during recrystallization. - Highlights: • Statistical microstructure method to measure grain boundary mobility during recrystallization • Method implementation independent of material or crystal structure • Mobility of the Σ7 boundaries in 5N Al was calculated as 4.7 × 10"–"8 m"4/J ⋅ s. • Pronounced growth selection in the recrystallizing nuclei in Al • Boundary mobility values during recrystallization 2–3 orders of magnitude

The influence of the grain boundary strength on the macroscopic properties of a polycrystalline aggregate

International Nuclear Information System (INIS)

Simonovski, Igor; Cizelj, Leon; Garrido, Oriol Costa

2013-01-01

Highlights: ► Grain boundary stiffness should be at least 1.5× higher that the stiffness of bulk grains. ► The ratio δ n pl /δ n el should be at least 400. ► Simultaneous increase of δ n el and δ n pl at constant grain boundary strength increases numerical stability but results in high percentage of damage grain boundary area. ► Shear contributes significantly to damage initialization. -- Abstract: In this work a model, based on a X-ray diffraction contrast tomography data of a stainless steel wire with a diameter of 0.4 mm is presented. As measured 3D grain geometry and crystallographic orientation of individual grains are directly transferred into a finite element model. Anisotropic elasticity and crystal plasticity constitutive laws are used for the bulk grain material while the grain boundaries are explicitly modeled using the cohesive zone approach. A parametric study on the effects of the grain boundary strength and other cohesive zone parameters on the macroscopic response and damaged grain boundary area of a polycrystalline aggregate is presented. Recommendations for the cohesive zone parameters values aimed at achieving low damaged grain boundary area during numerical tensile tests are given while at the same time taking into account the numerical stability of the simulations

Electron scattering at surfaces and grain boundaries in thin Au films

International Nuclear Information System (INIS)

Henriquez, Ricardo; Flores, Marcos; Moraga, Luis; Kremer, German; González-Fuentes, Claudio; Munoz, Raul C.

2013-01-01

The electron scattering at surfaces and grain boundaries is investigated using polycrystalline Au films deposited onto mica substrates. We vary the three length scales associated with: (i) electron scattering in the bulk, that at temperature T is characterized by the electronic mean free path in the bulk ℓ 0 (T); (ii) electron-surface scattering, that is characterized by the film thickness t; (iii) electron-grain boundary scattering, that is characterized by the mean grain diameter D. We varied independently the film thickness from approximately 50 nm to about 100 nm, and the typical grain size making up the samples from 12 nm to 160 nm. We also varied the scale of length associated with electron scattering in the bulk by measuring the resistivity of each specimen at temperatures T, 4 K 0 (T) by approximately 2 orders of magnitude. Detailed measurements of the grain size distribution as well as surface roughness of each sample were performed with a Scanning Tunnelling Microscope (STM). We compare, for the first time, theoretical predictions with resistivity data employing the two theories available that incorporate the effect of both electron-surface as well as electron-grain boundary scattering acting simultaneously: the theory of A.F. Mayadas and M. Shatzkes, Phys. Rev. 1 1382 (1970) (MS), and that of G. Palasantzas, Phys. Rev. B 58 9685 (1998). We eliminate adjustable parameters from the resistivity data analysis, by using as input the grain size distribution as well as the surface roughness measured with the STM on each sample. The outcome is that both theories provide a fair representation of both the temperature as well as the thickness dependence of the resistivity data, but yet there are marked differences between the resistivity predicted by these theories. In the case of the MS theory, when the average grain diameter D is significantly smaller than ℓ 0 (300) = 37 nm, the electron mean free path in the bulk at 300 K, the effect of electron-grain

Grain-Boundary Resistance in Copper Interconnects: From an Atomistic Model to a Neural Network

Science.gov (United States)

Valencia, Daniel; Wilson, Evan; Jiang, Zhengping; Valencia-Zapata, Gustavo A.; Wang, Kuang-Chung; Klimeck, Gerhard; Povolotskyi, Michael

2018-04-01

Orientation effects on the specific resistance of copper grain boundaries are studied systematically with two different atomistic tight-binding methods. A methodology is developed to model the specific resistance of grain boundaries in the ballistic limit using the embedded atom model, tight- binding methods, and nonequilibrium Green's functions. The methodology is validated against first-principles calculations for thin films with a single coincident grain boundary, with 6.4% deviation in the specific resistance. A statistical ensemble of 600 large, random structures with grains is studied. For structures with three grains, it is found that the distribution of specific resistances is close to normal. Finally, a compact model for grain-boundary-specific resistance is constructed based on a neural network.

Electrical characterization of grain boundaries of CZTS thin films using conductive atomic force microscopy techniques

Energy Technology Data Exchange (ETDEWEB)

Muhunthan, N.; Singh, Om Pal [Compound Semiconductor Solar Cell, Physics of Energy Harvesting Division, New Delhi 110012 (India); Toutam, Vijaykumar, E-mail: toutamvk@nplindia.org [Quantum Phenomena and Applications Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Singh, V.N., E-mail: singhvn@nplindia.org [Compound Semiconductor Solar Cell, Physics of Energy Harvesting Division, New Delhi 110012 (India)

2015-10-15

Graphical abstract: Experimental setup for conducting AFM (C-AFM). - Highlights: • Cu{sub 2}ZnSnS{sub 4} (CZTS) thin film was grown by reactive co-sputtering. • The electronic properties were probed using conducting atomic force microscope, scanning Kelvin probe microscopy and scanning capacitance microscopy. • C-AFM current flow mainly through grain boundaries rather than grain interiors. • SKPM indicated higher potential along the GBs compared to grain interiors. • The SCM explains that charge separation takes place at the interface of grain and grain boundary. - Abstract: Electrical characterization of grain boundaries (GB) of Cu-deficient CZTS (Copper Zinc Tin Sulfide) thin films was done using atomic force microscopic (AFM) techniques like Conductive atomic force microscopy (CAFM), Kelvin probe force microscopy (KPFM) and scanning capacitance microscopy (SCM). Absorbance spectroscopy was done for optical band gap calculations and Raman, XRD and EDS for structural and compositional characterization. Hall measurements were done for estimation of carrier mobility. CAFM and KPFM measurements showed that the currents flow mainly through grain boundaries (GB) rather than grain interiors. SCM results showed that charge separation mainly occurs at the interface of grain and grain boundaries and not all along the grain boundaries.

Shear-mode Crack Initiation Behavior in the Martensitic and Bainitic Microstructures

Directory of Open Access Journals (Sweden)

Wada Kentaro

2018-01-01

Full Text Available Fully reversed torsional fatigue tests were conducted to elucidate the behaviour of shear-mode crack initiation and propagation in one martensitic and two bainitic steels. The relationship between the crack initiation site and microstructure was investigated by means of an electron backscatter diffraction (EBSD technique. From the S-N diagram, two notable results were obtained: (i the shear-mode crack was initiated on the prior austenitic grain boundary in martensitic steel, while in bainitic steels, the crack was initiated along the {110} plane; one of the slip planes of bcc metals, and (ii the torsional fatigue limit of lower bainitic steel with finer grains was 60 MPa higher than that of upper bainitic steel with coarser grains even though the hardnesses were nearly equivalent. The mechanism determining the torsional fatigue strength in these steels is discussed from the viewpoint of microstructure morphology.

An Analysis of Hole Trapping at Grain Boundary or Poly-Si Floating-Body MOSFET.

Science.gov (United States)

Jang, Taejin; Baek, Myung-Hyun; Kim, Hyungjin; Park, Byung-Gook

2018-09-01

In this paper, we demonstrate the characteristics of the floating body effect of poly-silicon with grain boundary by SENTAURUS™ TCAD simulation. As drain voltage increases, impact ionization occurs at the drain-channel junction. And these holes created by impact ionization are deposited on the bottom of the body to change the threshold voltage. This feature, the kink effect, is also observed in fully depleted silicon on insulator because grain boundary of the poly-silicon serve as a storage to trap the holes. We simulate the transfer curve depending on the density and position of the grain boundary. The trap density of the grain boundary affects the device characteristics significantly. However similar properties appear except where the grain boundary is located on the drain side.

Molecular dynamics study of grain boundary diffusion of hydrogen in tungsten

International Nuclear Information System (INIS)

Von Toussaint, U; Gori, S; Manhard, A; Höschen, T; Höschen, C

2011-01-01

Understanding the influence of the microstructure of tungsten on hydrogen transport is crucial for the use of tungsten as first-wall material in fusion reactors. Here, we report the results of molecular dynamics and transition state studies on the influence of grain boundaries in tungsten on the transport of hydrogen. An exhaustive mapping of possible minimum activation energy migration trajectories for hydrogen as the trace impurity reveals a strongly modified activation energy distribution in the neighborhood of grain boundaries together with an altered connectivity matrix. The results indicate that grain boundaries in polycrystalline tungsten may provide an important transport channel, especially for neutron-damaged tungsten.

Grain boundary cavity growth under applied stress and internal pressure

International Nuclear Information System (INIS)

Mancuso, J.F.

1977-08-01

The growth of grain boundary cavities under applied stress and internal gas pressure was investigated. Methane gas filled cavities were produced by the C + 4H reversible CH4 reaction in the grain boundaries of type 270 nickel by hydrogen charging in an autoclave at 500 0 C with a hydrogen pressure of either 3.4 or 14.5 MPa. Intergranular fracture of nickel was achieved at a charging temperature of 300 0 C and 10.3 MPa hydrogen pressure. Cavities on the grain boundaries were observed in the scanning electron microscope after fracture. Photomicrographs of the cavities were produced in stereo pairs which were analyzed so as to correct for perspective distortion and also to determine the orientational dependence of cavity growth under an applied tensile stress

Reconstruction of 3d grain boundaries from rock thin sections, using polarised light

Science.gov (United States)

Markus Hammes, Daniel; Peternell, Mark

2016-04-01

Grain boundaries affect the physical and chemical properties of polycrystalline materials significantly by initiating reactions and collecting impurities (Birchenall, 1959), and play an essential role in recrystallization (Doherty et al. 1997). In particular, the shape and crystallographic orientation of grain boundaries reveal the deformation and annealing history of rocks (Kruhl and Peternell 2002, Kuntcheva et al. 2006). However, there is a lack of non-destructive and easy-to-use computer supported methods to determine grain boundary geometries in 3D. The only available instrument using optical light to measure grain boundary angles is still the polarising microscope with attached universal stage; operated manually and time-consuming in use. Here we present a new approach to determine 3d grain boundary orientations from 2D rock thin sections. The data is recorded by using an automatic fabric analyser microscope (Peternell et al., 2010). Due to its unique arrangement of 9 light directions the highest birefringence colour due to each light direction and crystal orientation (retardation) can be determined at each pixel in the field of view. Retardation profiles across grain boundaries enable the calculation of grain boundary angle and direction. The data for all positions separating the grains are combined and further processed. In combination with the lateral position of the grain boundary, acquired using the FAME software (Hammes and Peternell, in review), the data is used to reconstruct a 3d grain boundary model. The processing of data is almost fully automatic by using MATLAB®. Only minor manual input is required. The applicability was demonstrated on quartzite samples, but the method is not solely restricted on quartz grains and other birefringent polycrystalline materials could be used instead. References: Birchenall, C.E., 1959: Physical Metallurgy. McGraw-Hill, New York. Doherty, R.D., Hughes, D.A., Humphreys, F.J., Jonas, J.J., Juul Jensen, D., Kassner, M

SILICON CARBIDE GRAIN BOUNDARY DISTRIBUTIONS, IRRADIATION CONDITIONS, AND SILVER RETENTION IN IRRADIATED AGR-1 TRISO FUEL PARTICLES

Energy Technology Data Exchange (ETDEWEB)

Lillo, T. M.; Rooyen, I. J.; Aguiar, J. A.

2016-11-01

Precession electron diffraction in the transmission electron microscope was used to map grain orientation and ultimately determine grain boundary misorientation angle distributions, relative fractions of grain boundary types (random high angle, low angle or coincident site lattice (CSL)-related boundaries) and the distributions of CSL-related grain boundaries in the SiC layer of irradiated TRISO-coated fuel particles. Two particles from the AGR-1 experiment exhibiting high Ag-110m retention (>80%) were compared to a particle exhibiting low Ag-110m retention (<19%). Irradiated particles with high Ag-110m retention exhibited a lower fraction of random, high angle grain boundaries compared to the low Ag-110m retention particle. An inverse relationship between the random, high angle grain boundary fraction and Ag-110m retention is found and is consistent with grain boundary percolation theory. Also, comparison of the grain boundary distributions with previously reported unirradiated grain boundary distributions, based on SEM-based EBSD for similarly fabricated particles, showed only small differences, i.e. a greater low angle grain boundary fraction in unirradiated SiC. It was, thus, concluded that SiC layers with grain boundary distributions susceptible to Ag-110m release were present prior to irradiation. Finally, irradiation parameters were found to have little effect on the association of fission product precipitates with specific grain boundary types.

The influence of the grain boundary strength on the macroscopic properties of a polycrystalline aggregate

Energy Technology Data Exchange (ETDEWEB)

Simonovski, Igor, E-mail: Igor.Simonovski@ec.europa.eu [European Commission, DG-JRC, Institute for Energy and Transport, P.O. Box 2, NL-1755 ZG Petten (Netherlands); Cizelj, Leon, E-mail: Leon.Cizelj@ijs.si [Jožef Stefan Institute, Reactor Engineering Division, Jamova Cesta 39, SI-1000 Ljubljana (Slovenia); Garrido, Oriol Costa, E-mail: Oriol.Costa@ijs.si [Jožef Stefan Institute, Reactor Engineering Division, Jamova Cesta 39, SI-1000 Ljubljana (Slovenia)

2013-08-15

Highlights: ► Grain boundary stiffness should be at least 1.5× higher that the stiffness of bulk grains. ► The ratio δ{sub n}{sup pl}/δ{sub n}{sup el} should be at least 400. ► Simultaneous increase of δ{sub n}{sup el} and δ{sub n}{sup pl} at constant grain boundary strength increases numerical stability but results in high percentage of damage grain boundary area. ► Shear contributes significantly to damage initialization. -- Abstract: In this work a model, based on a X-ray diffraction contrast tomography data of a stainless steel wire with a diameter of 0.4 mm is presented. As measured 3D grain geometry and crystallographic orientation of individual grains are directly transferred into a finite element model. Anisotropic elasticity and crystal plasticity constitutive laws are used for the bulk grain material while the grain boundaries are explicitly modeled using the cohesive zone approach. A parametric study on the effects of the grain boundary strength and other cohesive zone parameters on the macroscopic response and damaged grain boundary area of a polycrystalline aggregate is presented. Recommendations for the cohesive zone parameters values aimed at achieving low damaged grain boundary area during numerical tensile tests are given while at the same time taking into account the numerical stability of the simulations.

On the grain boundary hardening in a B-bearing 304 austenitic stainless steel

International Nuclear Information System (INIS)

Yao, X.X.

1999-01-01

The precipitates, (Cr,Fe) 23 (C,B) 6 carbides and (Cr,Fe) 2 B borides, formed along the grain boundaries in a 304 austenitic stainless steel containing boron of 33 ppm after solution treatment at 1100 C for 1 h followed by isothermal ageing for 0.5 h at temperatures ranging from 750 to 1050 C have been identified. The influence of these precipitates on the grain boundary hardening has been investigated by means of micro-Vickers hardness measurements. It is found that the degree of grain boundary hardening below 900 C decreases, while it increases above 900 C with increasing ageing temperature. The dissolution of (Cr,Fe) 23 (C,B) 6 carbides and the precipitation of (Cr,Fe) 2 B borides are associated with the changes of grain boundary hardening in this B-bearing 304 austenitic stainless steel between 750 and 1100 C. The non-equilibrium boron segregation enhances the grain boundary hardening when the ageing temperature is above 900 C. (orig.)

Degradation of rocks, through cracking caused by differential thermal expansion, in relation to nuclear waste repositories

International Nuclear Information System (INIS)

McLaren, J.R.; Davidge, R.W.; Titchell, I.; Sincock, K.; Bromley, A.

1982-01-01

Heating to temperatures up to 500 0 C gives a reduction in Young's modulus and increases in permeability of granitic rocks and it is likely that a major reason is grain boundary cracking. The cracking of grain boundary facets in polycrystalline multiphase materials showing anistropic thermal expansion behaviour is controlled by several microstructural factors in addition to the intrinsic thermal and elastic properties. Of specific interest are the relative orientations of the two grains meeting at the facet, and the size of the facet; these factors thus introduce two statistical aspects to the problem and these are introduced to give quantitative data on crack density versus temperature. The theory is compared with experimental measurements of Young's modulus and permeability for various rocks as a function of temperature. There is good qualitative agreement, and the additional (mainly microstructural) data required for a quantitative comparison are defined. 6 figures, 2 tables

Electron scattering at surfaces and grain boundaries in thin Au films

Energy Technology Data Exchange (ETDEWEB)

Henriquez, Ricardo [Departamento de Física, Universidad Técnica Federico Santa María, Av. España 1680, Casilla 110-V, Valparaíso (Chile); Flores, Marcos; Moraga, Luis [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Blanco Encalada 2008, Casilla 487-3, Santiago 8370449 (Chile); Kremer, German [Bachillerato, Universidad de Chile, Las Palmeras 3425, Santiago 7800024 (Chile); González-Fuentes, Claudio [Departamento de Física, Universidad Técnica Federico Santa María, Av. España 1680, Casilla 110-V, Valparaíso (Chile); Munoz, Raul C., E-mail: ramunoz@ing.uchile.cl [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Blanco Encalada 2008, Casilla 487-3, Santiago 8370449 (Chile)

2013-05-15

The electron scattering at surfaces and grain boundaries is investigated using polycrystalline Au films deposited onto mica substrates. We vary the three length scales associated with: (i) electron scattering in the bulk, that at temperature T is characterized by the electronic mean free path in the bulk ℓ{sub 0}(T); (ii) electron-surface scattering, that is characterized by the film thickness t; (iii) electron-grain boundary scattering, that is characterized by the mean grain diameter D. We varied independently the film thickness from approximately 50 nm to about 100 nm, and the typical grain size making up the samples from 12 nm to 160 nm. We also varied the scale of length associated with electron scattering in the bulk by measuring the resistivity of each specimen at temperatures T, 4 K < T < 300 K. Cooling the samples to 4 K increases ℓ{sub 0}(T) by approximately 2 orders of magnitude. Detailed measurements of the grain size distribution as well as surface roughness of each sample were performed with a Scanning Tunnelling Microscope (STM). We compare, for the first time, theoretical predictions with resistivity data employing the two theories available that incorporate the effect of both electron-surface as well as electron-grain boundary scattering acting simultaneously: the theory of A.F. Mayadas and M. Shatzkes, Phys. Rev. 1 1382 (1970) (MS), and that of G. Palasantzas, Phys. Rev. B 58 9685 (1998). We eliminate adjustable parameters from the resistivity data analysis, by using as input the grain size distribution as well as the surface roughness measured with the STM on each sample. The outcome is that both theories provide a fair representation of both the temperature as well as the thickness dependence of the resistivity data, but yet there are marked differences between the resistivity predicted by these theories. In the case of the MS theory, when the average grain diameter D is significantly smaller than ℓ{sub 0}(300) = 37 nm, the electron mean

Modeling the initiation of Primary Water Stress Corrosion Cracking in nickel base alloys 182 and 82 of Pressurized Water Reactors

International Nuclear Information System (INIS)

Wehbi, Mickael

2014-01-01

Nickel base welds are widely used to assemble components of the primary circuit of Pressurized Water Reactors (PWR) plants. International experience shows an increasing number of Stress Corrosion Cracks (SCC) in nickel base welds 182 and 82 which motivates the development of models predicting the time to SCC initiation for these materials. SCC involves several parameters such as materials, mechanics or environment interacting together. The goal of this study is to have a better understanding of the physical mechanisms occurring at grains boundaries involved in SCC. In-situ tensile test carried out on oxidized alloy 182 evidenced dispersion in the susceptibility to corrosion of grain boundaries. Moreover, the correlation between oxidation and cracking coupled with micro-mechanical simulations on synthetic polycrystalline aggregate, allowed to propose a cracking criterion of oxidized grain boundaries which is defined by both critical oxidation depth and local stress level. Due to the key role of intergranular oxidation in SCC and since significant dispersion is observed between grain boundaries, oxidation tests were performed on alloys 182 and 82 in order to model the intergranular oxidation kinetics as a function of chromium carbides precipitation, temperature and dissolved hydrogen content. The model allows statistical analyses and is embedded in a local initiation model. In this model, SCC initiation is defined by the cracking of the intergranular oxide and is followed by slow and fast crack growth until the crack depth reaches a given value. Simplifying assumptions were necessary to identify laws used in the SCC model. However, these laws will be useful to determine experimental conditions of future investigations carried out to improve the calibration used parameters. (author)

Grain boundaries in Ni3Al. 2

International Nuclear Information System (INIS)

Kung, H.; Sass, S.L.

1992-01-01

This paper discusses the dislocation structure of small angle tilt and twist boundaries in ordered Ni 3 Al, with and without boron, investigated using transmission electron microscopy. Dislocation with Burgers vectors that correspond to anti-phase boundary (APB)-coupled superpartials were found in small angle twist boundaries in both boron-free and boron-doped Ni 3 Al, and a small angle tilt boundary in boron-doped Ni 3 Al. The boundary structures are in agreement with theoretical models proposed by Marcinkowski and co-workers. The APB energy determined from the dissociation of the grain boundary dislocations was lower than values reported for isolated APBs in Ni 3 Al. For small angle twist boundaries the presence of boron reduced the APB energy at the interface until it approached zero. This is consistent with the structure of these boundaries containing small regions of increased compositional disorder in the first atomic plane next to the interface

Precession electron diffraction for SiC grain boundary characterization in unirradiated TRISO fuel

International Nuclear Information System (INIS)

Lillo, T.M.; Rooyen, I.J. van; Wu, Y.Q.

2016-01-01

Highlights: • SiC grain orientation determined by TEM-based precession electron diffraction. • Orientation data improved with increasing TEM sample thickness. • Fraction of low angle grain boundaries lower from PED data than EBSD data. • Fractions of high angle and CSL-related boundaries similar to EBSD data. - Abstract: Precession electron diffraction (PED), a transmission electron microscopy-based technique, has been evaluated for the suitability for evaluating grain boundary character in the SiC layer of tristructural isotropic (TRISO) fuel. This work reports the effect of transmission electron microscope (TEM) lamella thickness on the quality of data and establishes a baseline comparison to SiC grain boundary characteristics, in an unirradiated TRISO particle, determined previously using a conventional electron backscatter diffraction (EBSD) scanning electron microscope (SEM)-based technique. In general, it was determined that the lamella thickness produced using the standard focused ion beam (FIB) fabrication process (∼80 nm), is sufficient to provide reliable PED measurements, although thicker lamellae (∼120 nm) were found to produce higher quality orientation data. Also, analysis of SiC grain boundary character from the TEM-based PED data showed a much lower fraction of low-angle grain boundaries compared to SEM-based EBSD data from the SiC layer of a TRISO-coated particle made using the same fabrication parameters and a SiC layer deposited at a slightly lower temperature from a surrogate TRISO particle. However, the fractions of high-angle and coincident site lattice (CSL)-related grain boundaries determined by PED are similar to those found using SEM-based EBSD. Since the grain size of the SiC layer of TRSIO fuel can be as small as 250 nm (Kirchhofer et al., 2013), depending on the fabrication parameters, and since grain boundary fission product precipitates in irradiated TRISO fuel can be nano-sized, the TEM-based PED orientation data

A boundary integral method for a dynamic, transient mode I crack problem with viscoelastic cohesive zone

KAUST Repository

Leise, Tanya L.

2009-08-19

We consider the problem of the dynamic, transient propagation of a semi-infinite, mode I crack in an infinite elastic body with a nonlinear, viscoelastic cohesize zone. Our problem formulation includes boundary conditions that preclude crack face interpenetration, in contrast to the usual mode I boundary conditions that assume all unloaded crack faces are stress-free. The nonlinear viscoelastic cohesive zone behavior is motivated by dynamic fracture in brittle polymers in which crack propagation is preceeded by significant crazing in a thin region surrounding the crack tip. We present a combined analytical/numerical solution method that involves reducing the problem to a Dirichlet-to-Neumann map along the crack face plane, resulting in a differo-integral equation relating the displacement and stress along the crack faces and within the cohesive zone. © 2009 Springer Science+Business Media B.V.

Grain boundary effects in nanocrystalline diamond

Czech Academy of Sciences Publication Activity Database

Mareš, Jiří J.; Hubík, Pavel; Krištofik, Jozef; Nesládek, Miloš

2008-01-01

Roč. 205, č. 9 (2008), 2163-2168 ISSN 1862-6300 R&D Projects: GA ČR(CZ) GA202/06/0040 Institutional research plan: CEZ:AV0Z10100521 Keywords : diamond film * grain boundary * superconductivity * noise * ballistic transport Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.205, year: 2008

Formation of intra-island grain boundaries in pentacene monolayers.

Science.gov (United States)

Zhang, Jian; Wu, Yu; Duhm, Steffen; Rabe, Jürgen P; Rudolf, Petra; Koch, Norbert

2011-12-21

To assess the formation of intra-island grain boundaries during the early stages of pentacene film growth, we studied sub-monolayers of pentacene on pristine silicon oxide and silicon oxide with high pinning centre density (induced by UV/O(3) treatment). We investigated the influence of the kinetic energy of the impinging molecules on the sub-monolayer growth by comparing organic molecular beam deposition (OMBD) and supersonic molecular beam deposition (SuMBD). For pentacene films fabricated by OMBD, higher pentacene island-density and higher polycrystalline island density were observed on UV/O(3)-treated silicon oxide as compared to pristine silicon oxide. Pentacene films deposited by SuMBD exhibited about one order of magnitude lower island- and polycrystalline island densities compared to OMBD, on both types of substrates. Our results suggest that polycrystalline growth of single islands on amorphous silicon oxide is facilitated by structural/chemical surface pinning centres, which act as nucleation centres for multiple grain formation in a single island. Furthermore, the overall lower intra-island grain boundary density in pentacene films fabricated by SuMBD reduces the number of charge carrier trapping sites specific to grain boundaries and should thus help achieving higher charge carrier mobilities, which are advantageous for their use in organic thin-film transistors.

Analytical Tem Comparisons of Stress-Corrosion-Crack Microstructures in Alloy 600 under Steam-Generator Service and Laboratory Test Conditions

International Nuclear Information System (INIS)

Thomas, L.E.; Bruemmer, S.M.; Scott, P.M.

2002-01-01

High-resolution analytical transmission electron microscopy (ATEM) has been used to characterize stress-corrosion cracks (SCC) in Alloy 600 steam-generator (SG) tubing from tests with caustic and acid-sulfate solutions. The aim of this work was to identify the microstructural and microchemical signatures of intergranular attack and cracking produced under well-controlled test conditions in order to determine the local environments promoting degradation in service. Cross-sectioned cracks and crack tips were examined in samples of mill-annealed alloy 600 tested in concentrated caustic and acid-sulfate solutions at 320 C. Characteristic microstructures observed in the caustic (10% NaOH) test sample included deeply penetrative attack along crack-intersected grain boundaries, with Cr-rich spinel and NiO structure oxides ranging from random nanocrystalline to oriented epitaxial films filling cracks up to the tips. Sodium was readily detectable in the oxides (up to 5 wt.% in the spinel corrosion product) along with S and Cu enrichment at crack-wall metal/oxide interfaces and local attack of the metal matrix around IG carbide particles. In the sulfate (Na 2 SO 4 + FeSO 4 ) test sample, the grain boundaries were also deeply attacked/cracked. Epitaxial NiO-structure oxide formed on the crack walls and S, sometimes with Cu, was concentrated between the oriented oxide layers rather than along the metal/oxide interfaces. Carbides were attacked and partially converted to fine-grained oxide containing up to several percent S. Observations of crack tips in the acid sulfate sample also revealed nm-wide cracks preceding the oxide along grain boundaries. The SCC structures produced in the laboratory tests differed in most details from the secondary-side SCC structures observed in pulled SG tubes. Important differences included the oxide morphologies, the presence of easily detectable Na and absence of sulfides in the test samples, different types of attack on IG carbide particles

The Relation Between Alloy Chemistry and Hot-Cracking

Science.gov (United States)

Nunes, A. C., Jr.; Talia, J. E.

2000-01-01

Hot cracking is a problem in welding 2195 aluminum-lithium alloy. Weld wire additives seem to reduce the problem. This study proposes a model intended to clarify the way alloying elements affect hot-cracking. The brittle temperature range of an alloy extends wherever the tensile stress required to move the meniscus of the liquid film at the grain/dendrite boundaries is less than the bulks flow stress Sigma(sub B) of the grains: 2gamma/delta alloys outgas.) If the above condition is not met, the grains deform under stress and the liquid film remains in place. Curves of 2gamma/delta and sigma(sub B) vs. temperature in the range just below the melting temperature determine the hot cracking susceptibility of an alloy. Both are zero at onset of solidification. sigma(sub B) rises as the thermal activation of the slip mechanism is reduced. 2gamma/delta rises as the film thickness delta which can be estimated from the Scheil equation, drops. But, given an embrittled alloy, whether the alloy actually cracks is determined by the strain imposed upon it in the embrittled condition. A critical strain is estimated, Epsilon(sub C) on the order of Epsilon(sub C) is approximately delta/l where L = grain size and where the the volume increment due to the strain, concentrated at the liquid film, is on the order of the liquid film volume. In the early 80's an empirical critical strain cracking envelope Epsilon(sub C)(T) was incorporated into a damage criterion to estimate the effect of welding parameters on the formation of microfissures in a superalloy with good results. These concepts, liquid film decoherence vs. grain bulk deformation and critical strain, form the key elements of a quantitative theory of hot-cracking applicable for assessing the effect of alloying elements on hot-cracking during welding.

Thermal stability of grain boundaries in nanocrystalline Zn studied by positron lifetime spectroscopy

International Nuclear Information System (INIS)

Zhou Kai; Li Hui; Pang Jinbiao; Wang Zhu

2012-01-01

Nanocrystalline Zn prepared by compacting nanoparticles with mean grain size about 55 nm at 15 MPa has been studied by positron lifetime spectroscopy. For the bulk Zn sample, the vacancy defect is annealed out at about 350 °C, but for the nanocrystalline Zn sample, the vacancy cluster in grain boundaries is quite difficult to be annealed out even at very high temperature (410 °C). In the grain boundaries of nanocrystalline Zn, the small free volume defect (not larger than divacancy) is dominant according to the high relative intensity for the short positron lifetime (τ 1 ). The oxide (ZnO) inside the grain boundaries has been found having an effect to hinder the decrease of average positron lifetime (τ av ), which probably indicates that the oxide stabilizes the microstructure of the grain boundaries. This stabilization is very important for the nanocrystalline materials using as radiation resistant materials.

Testing thermal gradient driving force for grain boundary migration using molecular dynamics simulations

International Nuclear Information System (INIS)

Bai, Xian-Ming; Zhang, Yongfeng; Tonks, Michael R.

2015-01-01

Strong thermal gradients in low-thermal-conductivity ceramics may drive extended defects, such as grain boundaries and voids, to migrate in preferential directions. In this work, molecular dynamics simulations are conducted to study thermal gradient driven grain boundary migration and to verify a previously proposed thermal gradient driving force equation, using uranium dioxide as a model system. It is found that a thermal gradient drives grain boundaries to migrate up the gradient and the migration velocity increases under a constant gradient owing to the increase in mobility with temperature. Different grain boundaries migrate at very different rates due to their different intrinsic mobilities. The extracted mobilities from the thermal gradient driven simulations are compared with those calculated from two other well-established methods and good agreement between the three different methods is found, demonstrating that the theoretical equation of the thermal gradient driving force is valid, although a correction of one input parameter should be made. The discrepancy in the grain boundary mobilities between modeling and experiments is also discussed.

Applied thermodynamics: Grain boundary segregation

Czech Academy of Sciences Publication Activity Database

Lejček, Pavel; Zheng, L.; Hofmann, S.; Šob, Mojmír

2014-01-01

Roč. 16, č. 3 (2014), s. 1462-1484 ISSN 1099-4300 R&D Projects: GA ČR(CZ) GAP108/12/0311; GA ČR GAP108/12/0144; GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68378271 ; RVO:68081723 Keywords : interfacial segregation * Gibbs energy of segregation * enthalpy * entropy * volume * grain boundaries * iron Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.502, year: 2014

Present state of the controversy about the grain boundary relaxation

International Nuclear Information System (INIS)

Povolo, F.; Molinas, B.J.

1990-04-01

An analysis of the internal friction produced by grain boundary relaxation in metals, alloys and ceramics is presented. The different interpretations given in the literature to relaxation phenomena occurring at temperatures above about half the melting point which include the influence of grain boundaries and their interaction with solutes and precipitates are discussed in detail. A complete set of the experimental data disposable in this field since 1972 until today is reviewed. Finally, some recent experiments are discussed and new ones are suggested. They might solve the actual controversy about the real origin of the relaxation phenomena observed. If this is the case, a considerable amount of information already published can be taken into account with a good degree of confidence. This information contributes to the description of the structure and behaviour of grain boundaries, both being important topics for materials science. (author). 119 refs, 21 figs, 1 tab

Quantitative influence of minor and impurity elements on hot cracking susceptibility of extra high-purity type 310 stainless steel

International Nuclear Information System (INIS)

Saida, Kazuyoshi; Matsushita, Hideki; Nishimoto, Kazutoshi; Kiuchi, Kiyoshi; Nakayama, Junpei

2013-01-01

To evaluate the influence of minor and impurity elements such as C, Mn, P and S on the solidification and ductility-dip cracking susceptibilities of extra high-purity type 310 stainless steels, the transverse-Varestraint test was conducted by using several type 310 stainless steels with different amounts of C, Mn, P and S. Two types of hot cracks occurred in these steels by Varestraint test; solidification and ductility-dip cracks. The solidification cracking susceptibility was significantly reduced as the amounts of C, P and S decreased. The ductility-dip cracking susceptibility also reduced with a decrease in P and S contents. It adversely, however, increased as the C content of the steels was reduced. Mn didn't greatly affect the hot cracking susceptibility of the extra high-purity steels. The characteristic influence on solidification cracking was the ratio of P:S:C=1:1.3:0.56, while Mn negligibly ameliorated solidification cracking in the extra low S (and P) steels. The numerical analysis on the solidification brittle temperature range (BTR) revealed that the reduced solidification cracking susceptibility with decreasing the amounts of C, P and S in steel could be attributed to the reduced BTR due to the suppression of solidification segregation of minor and impurity elements in the finally solidified liquid film between dendrites. On the other hand, a molecular orbital analysis to estimate the binding strength of the grain boundary suggested that the increased ductility-dip cracking susceptibility in extra high-purity steels was caused by grain boundary embrittlement due to the refining of beneficial elements for grain boundary strengthening such as C. (author)

Helium-induced weld cracking in austenitic and martensitic steels

International Nuclear Information System (INIS)

Lin, H.T.; Chin, B.A.

1991-01-01

Helium was uniformly implanted into type 316 stainless steel and Sandvik HT-9 (12Cr-1MoVW) to levels of 0.18 to 256 and 0.3 to 1 a.p.p.m., respectively, using the ''tritium trick'' technique. Autogenous bead-on-plate, full penetration, welds were then produced under fully constrained conditions using the gas tungsten arc welding (GTAW) process. The control and hydrogen-charged plates of both alloys were sound and free of any weld defects. For the 316 stainless steel, catastrophic intergranular fracture occurred in the heat-affected zone (HAZ) of welds with helium levels ≥ 2.5 a.p.p.m. In addition to the HAZ cracking, brittle fracture along the centreline of the fusion zone was also observed for the welds containing greater than 100 a.p.p.m. He. For HT-9, intergranular cracking occurred in the HAZ along prior-austenite grain boundaries of welds containing 1 a.p.p.m. He. Electron microscopy observations showed that the cracking in the HAZ originated from the growth and coalescence of grain-boundary helium bubbles and that the fusion-zone cracking resulted from the growth of helium bubbles at dendrite boundaries. The bubble growth kinetics in the HAZ is dominated by stress-induced diffusion of vacancies into bubbles. Results of this study indicate that the use of conventional GTAW techniques to repair irradiation-degraded materials containing even small amounts of helium may be difficult. (author)

Coercivity degradation caused by inhomogeneous grain boundaries in sintered Nd-Fe-B permanent magnets

Science.gov (United States)

Chen, Hansheng; Yun, Fan; Qu, Jiangtao; Li, Yingfei; Cheng, Zhenxiang; Fang, Ruhao; Ye, Zhixiao; Ringer, Simon P.; Zheng, Rongkun

2018-05-01

Quantitative correlation between intrinsic coercivity and grain boundaries in three dimensions is critical to further improve the performance of sintered Nd-Fe-B permanent magnets. Here, we quantitatively reveal the local composition variation across and especially along grain boundaries using the powerful atomic-scale analysis technique known as atom probe tomography. We also estimate the saturation magnetization, magnetocrystalline anisotropy constant, and exchange stiffness of the grain boundaries on the basis of the experimentally determined structure and composition. Finally, using micromagnetic simulations, we quantify the intrinsic coercivity degradation caused by inhomogeneous grain boundaries. This approach can be applied to other magnetic materials for the analysis and optimization of magnetic properties.

Finite element analysis of three dimensional crack growth by the use of a boundary element sub model

DEFF Research Database (Denmark)

Lucht, Tore

2009-01-01

A new automated method to model non-planar three dimensional crack growth is proposed which combines the advantages of both the boundary element method and the finite element method. The proposed method links the two methods by a submodelling strategy in which the solution of a global finite...... element model containing an approximation of the crack is interpolated to a much smaller boundary element model containing a fine discretization of the real crack. The method is validated through several numerical comparisons and by comparison to crack growth measured in a test specimen for an engineering...

An improved procedure for determining grain boundary diffusion coefficients from averaged concentration profiles

Science.gov (United States)

Gryaznov, D.; Fleig, J.; Maier, J.

2008-03-01

Whipple's solution of the problem of grain boundary diffusion and Le Claire's relation, which is often used to determine grain boundary diffusion coefficients, are examined for a broad range of ratios of grain boundary to bulk diffusivities Δ and diffusion times t. Different reasons leading to errors in determining the grain boundary diffusivity (DGB) when using Le Claire's relation are discussed. It is shown that nonlinearities of the diffusion profiles in lnCav-y6/5 plots and deviations from "Le Claire's constant" (-0.78) are the major error sources (Cav=averaged concentration, y =coordinate in diffusion direction). An improved relation (replacing Le Claire's constant) is suggested for analyzing diffusion profiles particularly suited for small diffusion lengths (short times) as often required in diffusion experiments on nanocrystalline materials.

Non-equilibrium grain boundary segregation of boron in austenitic stainless steel - IV. Precipitation behaviour and distribution of elements at grain boundaries

International Nuclear Information System (INIS)

Karlsson, L.; Norden, H.

1988-01-01

The distribution of elements and the precipitation behaviour at grain boundaries have been studied in boron containing AISI 316L and ''Mo-free AISI 316L'' type austenitic stainless steels. A combination of microanalytical techniques was used to study the boundary regions after cooling at 0.29-530 0 C/s from 800, 1075 or 1250 0 C. Tetragonal M/sub 2/B, M/sub 5/B/sub 3/ and M/sub 3/B/sub 2/, all rich in Fe, Cr and Mo, precipitated in the ''high B'' (40 ppm) AISI 316L steel whereas orthorhombic M/sub 2/B, rich in Cr and Fe was found in the ''Mo-free steel'' with 23 ppm B. In the ''high B steel'' a thin (<2nm), continuous layer, containing B, Cr, Mo and Fe and having a stoichiometry of typically M/sub 9/B, formed at boundaries after cooling at intermediate cooling rates. For both types of steels a boundary zone was found, after all heat treatments, with a composition differing significantly from the bulk composition. The differences were most marked after cooling at intermediate cooling rates. In both types of steel boundary depletion of Cr and enrichment of B and C occurred. It was found that non-equilibrium grain boundary segregation of boron can affect the precipitation behaviour by making the boundary composition enter a new phase field ''Non-equilibrium phases'' might also form. The synergistic effect of B and Mo on the boundary composition and precipitation behaviour, and the observed indications of C non-equilibrium segregation are discussed

Study of nanophase TiO2 grain boundaries by Raman spectroscopy

International Nuclear Information System (INIS)

Melendres, C.A.; Narayanasamy, A.; Maroni, V.A.; Siegel, R.W.

1989-01-01

Raman spectra have been recorded for as-consolidated nanophase TiO 2 samples with differing grain sizes and on samples annealed in air at a variety of temperatures up to 1273 K. The nanophase samples with the smallest grain size, about 12 nm average diameter, could have 15-30% of their atoms in grain boundaries; nevertheless, the strong Raman-active lines representative of the rutile structure were found to dominate all of the observed spectra, independent of grain size and annealing treatment. These lines were quite broad in the as-consolidated nanophase samples, equally in 12 nm and 100 nm grain-size compacts, but sharpened considerably upon annealing at elevated temperatures. The Raman data give no indication of grain-boundary structures in nanophase TiO 2 that are significantly different from those in conventional polycrystals. However, defect structures within the grains, which anneal out at elevated temperatures, are evidenced by changes in the Raman spectra. 15 refs., 2 figs

Defect and grain boundary scattering in tungsten: A combined theoretical and experimental study

Science.gov (United States)

Lanzillo, Nicholas A.; Dixit, Hemant; Milosevic, Erik; Niu, Chengyu; Carr, Adra V.; Oldiges, Phil; Raymond, Mark V.; Cho, Jin; Standaert, Theodorus E.; Kamineni, Vimal K.

2018-04-01

Several major electron scattering mechanisms in tungsten (W) are evaluated using a combination of first-principles density functional theory, a Non-Equilibrium Green's Function formalism, and thin film Kelvin 4-point sheet resistance measurements. The impact of grain boundary scattering is found to be roughly an order of magnitude larger than the impact of defect scattering. Ab initio simulations predict average grain boundary reflection coefficients for a number of twin grain boundaries to lie in the range r = 0.47 to r = 0.62, while experimental data can be fit to the empirical Mayadas-Schatzkes model with a comparable but slightly larger value of r = 0.69. The experimental and simulation data for grain boundary resistivity as a function of grain size show excellent agreement. These results provide crucial insights for understanding the impact of scaling of W-based contacts between active devices and back-end-of-line interconnects in next-generation semiconductor technology.

Adsorption of metal atoms at a buckled graphene grain boundary using model potentials

International Nuclear Information System (INIS)

Helgee, Edit E.; Isacsson, Andreas

2016-01-01

Two model potentials have been evaluated with regard to their ability to model adsorption of single metal atoms on a buckled graphene grain boundary. One of the potentials is a Lennard-Jones potential parametrized for gold and carbon, while the other is a bond-order potential parametrized for the interaction between carbon and platinum. Metals are expected to adsorb more strongly to grain boundaries than to pristine graphene due to their enhanced adsorption at point defects resembling those that constitute the grain boundary. Of the two potentials considered here, only the bond-order potential reproduces this behavior and predicts the energy of the adsorbate to be about 0.8 eV lower at the grain boundary than on pristine graphene. The Lennard-Jones potential predicts no significant difference in energy between adsorbates at the boundary and on pristine graphene. These results indicate that the Lennard-Jones potential is not suitable for studies of metal adsorption on defects in graphene, and that bond-order potentials are preferable

Deformation by grain boundary sliding and slip creep versus diffusional creep

International Nuclear Information System (INIS)

Ruano, O A; Sherby, O D; Wadsworth, J.

1998-01-01

A review is presented of the debates between the present authors and other investigators regarding the possible role of diffusional creep in the plastic flow of polycrystalline metals at low stresses. These debates are recorded in eleven papers over the past seventeen years. ln these papers it has been shown that the creep rates of materials in the so-called diffusional creep region are almost always higher than those predicted by the diffusional creep theory. Additionally, the predictions of grain size effects and stress exponents from diffusional creep theory are often not found in the experimental data. Finally, denuded zones have been universally considered to be direct evidence for diffusional creep; but, those reported in the literature are shown to be found only under conditions where a high stress exponent is observed. Also, the locations of the denuded zones do not match those predicted. Alternative mechanisms are described in which diffusion-controlled dislocation creep and/or grain boundary sliding are the dominant deformation processes in low-stress creep. It is proposed that denuded zones are formed by stress-directed grain boundary migration with the precipitates dissolving in the moving grain boundaries. The above observations have led us to the conclusion that grain boundary sliding and slip creep are in fact the principal mechanisms for observations of plastic flow in the so-called diffusional creep regions

Hydrogen embrittlement and stress corrosion cracking in metals

Energy Technology Data Exchange (ETDEWEB)

Kim, Young Suk; Cheong, Yong Mu; Im, Kyung Soo

2004-10-15

The objective of this report is to elucidate the mechanism for hydrogen embrittlement (HE) and stress corrosion cracking (SCC) in metals. To this end, we investigate the common features between delayed hydride cracking (DHC) in zirconium alloys and HE in metals with no precipitation of hydrides including Fe base alloys, Nickel base alloys, Cu alloys and Al alloys. Surprisingly, as with the crack growth pattern for the DHC in zirconium alloy, the metals mentioned above show a discontinuous crack growth, striation lines and a strong dependence of yield strength when exposed to hydrogen internally and externally. This study, for the first time, analyzes the driving force for the HE in metals in viewpoints of Kim's DHC model that a driving force for the DHC in zirconium alloys is a supersaturated hydrogen concentration coming from a hysteresis of the terminal solid solubility of hydrogen, not by the stress gradient, As with the crack growing only along the hydride habit plane during the DHC in zirconium alloys, the metals exposed to hydrogen seem to have the crack growing by invoking the dislocation slip along the preferential planes as a result of some interactions of the dislocations with hydrogen. Therefore, it seems that the hydrogen plays a role in inducing the slip only on the preferential planes so as to cause a strain localization at the crack tip. Sulfur in metals is detrimental in causing a intergranular cracking due to a segregation of the hydrogens at the grain boundaries. In contrast, boron in excess of 500 ppm added to the Ni3Al intermetallic compound is found to be beneficial in suppressing the HE even though further details of the mechanism for the roles of boron and sulfur are required. Carbon, carbides precipitating semi-continuously along the grain boundaries and the CSL (coherent site lattice) boundaries is found to suppress the intergranular stress corrosion cracking (IGSCC) in Alloy 600. The higher the volume fraction of twin boundaries, the

Hydrogen embrittlement and stress corrosion cracking in metals

International Nuclear Information System (INIS)

Kim, Young Suk; Cheong, Yong Mu; Im, Kyung Soo

2004-10-01

The objective of this report is to elucidate the mechanism for hydrogen embrittlement (HE) and stress corrosion cracking (SCC) in metals. To this end, we investigate the common features between delayed hydride cracking (DHC) in zirconium alloys and HE in metals with no precipitation of hydrides including Fe base alloys, Nickel base alloys, Cu alloys and Al alloys. Surprisingly, as with the crack growth pattern for the DHC in zirconium alloy, the metals mentioned above show a discontinuous crack growth, striation lines and a strong dependence of yield strength when exposed to hydrogen internally and externally. This study, for the first time, analyzes the driving force for the HE in metals in viewpoints of Kim's DHC model that a driving force for the DHC in zirconium alloys is a supersaturated hydrogen concentration coming from a hysteresis of the terminal solid solubility of hydrogen, not by the stress gradient, As with the crack growing only along the hydride habit plane during the DHC in zirconium alloys, the metals exposed to hydrogen seem to have the crack growing by invoking the dislocation slip along the preferential planes as a result of some interactions of the dislocations with hydrogen. Therefore, it seems that the hydrogen plays a role in inducing the slip only on the preferential planes so as to cause a strain localization at the crack tip. Sulfur in metals is detrimental in causing a intergranular cracking due to a segregation of the hydrogens at the grain boundaries. In contrast, boron in excess of 500 ppm added to the Ni3Al intermetallic compound is found to be beneficial in suppressing the HE even though further details of the mechanism for the roles of boron and sulfur are required. Carbon, carbides precipitating semi-continuously along the grain boundaries and the CSL (coherent site lattice) boundaries is found to suppress the intergranular stress corrosion cracking (IGSCC) in Alloy 600. The higher the volume fraction of twin boundaries, the more

Grain boundary structures in La2/3Ca1/3MnO3 thin films

International Nuclear Information System (INIS)

Miller, D. J.; Lin, Y.-K.; Vlasko-Vlasov, V.; Welp, U.

1999-01-01

As with many other oxide-based compounds that exhibit electronic behavior, structural defects have a strong influence on the electronic properties of the CMR manganites. In this work, the authors have studied the effect of grain boundaries on the transport properties and on the local orientation of magnetization. Thin films of the perovskite-related La 2/3 Ca 1/3 MnO 3 compound were deposited onto bicrystal substrates using pulsed laser deposition. Transport measurements showed some enhancement of magnetoresistance across the grain boundary. The structure of the boundary was evaluated by electron microscopy. In contrast with the highly meandering boundaries typically observed in bicrystals of high temperature superconductors, the boundaries in these films are relatively straight and well defined. However, magneto-optical imaging showed that the local magnetization was oriented out of the plane at the grain boundary while it was oriented within the plane in the grains on either side. This coordinated reorientation of local magnetization near the grain boundary leads to enhanced magnetoresistance across the boundary in low fields

Automatic kinetic Monte-Carlo modeling for impurity atom diffusion in grain boundary structure of tungsten material

Directory of Open Access Journals (Sweden)

Atsushi M. Ito

2017-08-01

Full Text Available The diffusion process of hydrogen and helium in plasma-facing material depends on the grain boundary structures. Whether a grain boundary accelerates or limits the diffusion speed of these impurity atoms is not well understood. In the present work, we proposed the automatic modeling of a kinetic Monte-Carlo (KMC simulation to treat an asymmetric grain boundary structure that corresponds to target samples used in fusion material experiments for retention and permeation. In this method, local minimum energy sites and migration paths for impurity atoms in the grain boundary structure are automatically found using localized molecular dynamics. The grain boundary structure was generated with the Voronoi diagram. Consequently, we demonstrate that the KMC simulation for the diffusion process of impurity atoms in the generated grain boundary structure of tungsten material can be performed.

The mode of stress corrosion cracking in Ni-base alloys in high temperature water containing lead

International Nuclear Information System (INIS)

Hwang, S.S.; Kim, H.P.; Lee, D.H.; Kim, U.C.; Kim, J.S.

1999-01-01

The mode of stress corrosion cracking (SCC) in Ni-base alloys in high temperature aqueous solutions containing lead was studied using C-rings and slow strain rate testing (SSRT). The lead concentration, pH and the heat treatment condition of the materials were varied. TEM work was carried out to observe the dislocation behavior in thermally treated (TT) and mill annealed (MA) materials. As a result of the C-ring test in 1M NaOH+5000 ppm lead solution, intergranular stress corrosion cracking (IGSCC) was found in Alloy 600MA, whereas transgranular stress corrosion cracking (TGSCC) was found in Alloy 600TT and Alloy 690TT. In most solutions used, the SCC resistance increased in the sequence Alloy 600MA, Alloy 600TT and Alloy 690TT. The number of cracks that was observed in alloy 690TT was less than in Alloy 600TT. However, the maximum crack length in Alloy 690TT was much longer than in Alloy 600TT. As a result of the SSRT, at a nominal strain rate of 1 x 10 -7 /s, it was found that 100 ppm lead accelerated the SCC in Alloy 600MA (0.01%C) in pH 10 at 340 C. IGSCC was found in a 100 ppm lead condition, and some TGSCC was detected on the fracture surface of Alloy 600MA cracked in the 10000 ppm lead solution. The mode of cracking for Alloy 600 and Alloy 690 changed from IGSCC to TGSCC with increasing grain boundary carbide content in the material and lead concentration in the solution. IGSCC seemed to be retarded by stress relaxation around the grain boundaries, and TGSCC in the TT materials seemed to be a result of the crack blunting at grain boundary carbides and the enhanced Ni dissolution with an increase of the lead concentration. (orig.)

Stress corrosion cracking and hydrogen embrittlement of an Al-Zn-Mg-Cu alloy

International Nuclear Information System (INIS)

Song, R.G.; Dietzel, W.; Zhang, B.J.; Liu, W.J.; Tseng, M.K.; Atrens, A.

2004-01-01

The age hardening, stress corrosion cracking (SCC) and hydrogen embrittlement (HE) of an Al-Zn-Mg-Cu 7175 alloy were investigated experimentally. There were two peak-aged states during ageing. For ageing at 413 K, the strength of the second peak-aged state was slightly higher than that of the first one, whereas the SCC susceptibility was lower, indicating that it is possible to heat treat 7175 to high strength and simultaneously to have high SCC resistance. The SCC susceptibility increased with increasing Mg segregation at the grain boundaries. Hydrogen embrittlement (HE) increased with increased hydrogen charging and decreased with increasing ageing time for the same hydrogen charging conditions. Computer simulations were carried out of (a) the Mg grain boundary segregation using the embedded atom method and (b) the effect of Mg and H segregation on the grain boundary strength using a quasi-chemical approach. The simulations showed that (a) Mg grain boundary segregation in Al-Zn-Mg-Cu alloys is spontaneous, (b) Mg segregation decreases the grain boundary strength, and (c) H embrittles the grain boundary more seriously than does Mg. Therefore, the SCC mechanism of Al-Zn-Mg-Cu alloys is attributed to the combination of HE and Mg segregation induced grain boundary embrittlement

Grain boundary precipitation in an austenitic stainless steel

International Nuclear Information System (INIS)

Jones, A.R.; Howell, P.R.; Ralph, B.

The precipitation of second phase particles of niobium carbide in an austenitic stainless steel is shown to be considerably influenced by the degree of deformation introduced prior to the ageing treatment. Sites for the nucleation of second phase particles are identified and the importance of one type of nucleation site, extrinsic dislocations, to the evolution of the final boundary precipitate distributions is emphasized. Further, it is shown that the presence of a grain boundary can effect precipitation processes for some considerable distance into the matrix on either side of the boundary. (author)

Grain boundary layer behavior in ZnO/Si heterostructure

International Nuclear Information System (INIS)

Liu Bingce; Liu Cihui; Yi Bo

2010-01-01

The grain boundary layer behavior in ZnO/Si heterostucture is investigated. The current-voltage (I-V) curves, deep level transient spectra (DLTS) and capacitance-voltage (C-V) curves are measured. The transport currents of ZnO/Si heterojunction are dominated by grain boundary layer as high densities of interfacial states existed. The interesting phenomenon that the crossing of In I-V curves of ZnO/Si heterojunction at various measurement temperatures and the decrease of its effective barrier height with the decrement of temperature are in contradiction with the ideal heterojunction thermal emission model is observed. The details will be discussed in the following. (semiconductor physics)

Atom Probe Tomography of Phase and Grain Boundaries in Experimentally-Deformed and Hot-Pressed Wehrlite

Science.gov (United States)

Cukjati, J.; Parman, S. W.; Cooper, R. F.; Zhao, N.

2017-12-01

Atom probe tomography (APT) was used to characterize the chemistry of three grain boundaries: an olivine-olivine (ol-ol) and olivine-clinopyroxene (ol-cpx) boundary in fine-grained experimentally-deformed wehrlite and an ol-cpx boundary in a fine-grained, hot-pressed wehrlite. Grain boundaries were extracted and formed into APT tips using a focused ion beam (FIB). The tips were analyzed in a reflectron-equipped LEAP4000HR (Harvard University) at 1% or 0.5% detection rate, 5pJ laser energy and 100kHz pulse rate. Total ion counts are between 40 and 100 million per tip. Examination of grain and phase boundaries in wehrlite are of interest since slow-diffusing and olivine-incompatible cations present in cpx (e.g. Ca and Al) may control diffusion-accommodated grain boundary sliding and affect mantle rheology (Sundberg & Cooper, 2008). At steady state, ol-cpx aggregates are weaker than either ol or cpx end member, the results of which are not currently well-explained. We investigate grain boundary widths to understand the transport of olivine-incompatible elements. Widths of grain/phase boundary chemical segregation are between 3nm and 6nm for deformed ol-ol and ol-cpx samples; minimally-deformed (hot-pressed) samples having slightly wider chemical segregation widths. Chemical segregation widths were determined from profiles of Na, Al, P, Cl, K, Ca, or Ni, although not all listed elements can be used for all samples (e.g. Na, K segregation profiles can only be observed for ol-ol sample). These estimates are consistent with prior estimates of grain boundary segregation by atom probe tomography on ol-ol and opx-opx samples (Bachhav et al., 2015) and are less than ol-ol interface widths analyzed by STEM/EDX (Hiraga, Anderson, & Kohlstedt, 2007). STEM/EDX will be performed on deformed wehrlite to investigate chemical profile as a function of applied stress orientation and at length scales between those observable by APT and EPMA. Determination of phase boundary chemistry and

On the search for experimentally observed grain boundary phase transitions

International Nuclear Information System (INIS)

Balluffi, R.W.; Hsieh, T.E.

1987-07-01

The phase space for a heterogeneous system containing a grain boundary involves a relatively large number of variables (i.e., at least six plus the number of components), and it is therefore conceptually possible to induce a large variety of grain boundary phase transitions by selectively varying these parameters. Despite this, a review of the literature reveals that there have been virtually no clear-cut experimental observations of transitions reported in which the boundary structure has been observed as a function of time under well defined conditions. In current work, we are searching for roughening/faceting transitions and melting transitions for boundaries in Al by hot stage transmission electron microscopy. A clear example of a reversible roughening/faceting transition has been found. No evidence for melting has been found for temperatures as high as 0.96 T/sub m/ (by monitoring GBD core delocalization in several special boundaries with Σ ≤ 13) or 0.999 T/sub m/ (by observing the local diffraction contrast at general boundaries in polycrystalline specimens)

Experimental investigation of grain size effect on fatigue crack growth rate in turbine disc superalloy GH4169 under different temperatures

Energy Technology Data Exchange (ETDEWEB)

Hu, Dianyin [School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Collaborative Innovation Center of Advanced Aero-Engine, Beijing 100191 (China); Beijing Key Laboratory of Aero-Engine Structure and Strength, Beijing 100191 (China); Mao, Jianxing [School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Song, Jun, E-mail: jun.song2@mcgill.ca [Mining and Materials Engineering, McGill University, Montreal, QC, Canada H3A 0C5 (Canada); Meng, Fanchao [Mining and Materials Engineering, McGill University, Montreal, QC, Canada H3A 0C5 (Canada); Shan, Xiaoming [China Aviation Powerplant Research Institute, Zhuzhou 412002 (China); Wang, Rongqiao, E-mail: wangrq@buaa.edu.cn [School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Collaborative Innovation Center of Advanced Aero-Engine, Beijing 100191 (China); Beijing Key Laboratory of Aero-Engine Structure and Strength, Beijing 100191 (China)

2016-07-04

Systematic experiments for fatigue crack growth (FCG) rate on compact tension (CT) specimens have been conducted in nickel-based superalloy GH4169 at a broad range of temperatures with a frequency of 10 Hz and a stress ratio of 0.1. In order to investigate the crack closure behavior, FCG experiments at stress ratio of 0.5 were also performed by comparing with the results at stress ration of 0.1. CT specimens were cut from three typical locations of an actual forged turbine disc to investigate the effect of grain size on the FCG behaviors. The grain size distribution, precipitates and fracture surface characteristics at different locations of the turbine disc were examined through optical microscope, transmission electron microscope (TEM) and scanning electronic microscope (SEM) analyses. Digital image correlation (DIC), optical interferometry and oxide film measurements were carried out to investigate the presence and inducement of the crack closure. Then a modified FCG model, with a distribution factor that evaluates the scattering in the FCG rate, was formulated to describe the dependence of FCG rate on grain size. Finally, the possible microscopic mechanisms to explain the grain size effect on the FCG behaviors based on crack deflection and blockage, and the crack closure inducements involving plasticity and oxide were discussed in this study.

Stress intensity evaluation for surface crack with use of boundary element method and influence function method and the surface crack extension analysis

International Nuclear Information System (INIS)

Yuuki, R.; Ejima, K.

1991-01-01

In this study, three-dimensional boundary element elastostatic analysis is carried out on various surface crack problems. The present BEM uses a Mindlin's solution as well as a Kelvin's solution as a fundamental solution. So we can obtain accurate solutions for a surface crack just before or after a penetration. The obtained solutions for various shapes of surface cracks are stored as the data base, based on the influence function method. We develop the surface crack extension analysis system using the stress intensity factor data base and also the fatigue crack growth law. Our system seems to be useful especially for the analysis of the surface crack just before or after the penetration and also under the residual stresses

Investigation and optimization of YBa2Cu3O7-δ grain boundaries and coated conductors

International Nuclear Information System (INIS)

Held, Rainer Robert Martin

2010-01-01

With increasing misorientation angle grain boundaries strongly reduce the critical current density of high temperature superconductors. For this reason costly techniques are used in production of modern Coated Conductors to induce sharp textures in the polycrystalline superconductor layers. In this dissertation measurements of the critical current density of different grain boundary types are presented showing that out-of-plane grain boundaries exhibit, also in applied magnetic fields, much higher critical current densities than expected. In further analysis of the grain boundaries indications for a microstructural reason of the high critical current densities were found. The high critical current densities of the out-of-plane grain boundaries should in fabrication of Coated Conductors allow for a relaxation of the out-of-plane grain alignment requirements and a concomitant cost reduction. In this work also results of a industrial cooperation with Nexans are presented demonstrating that the critical current density of metal-organic deposited grain boundaries and Coated Conductor layers can be increased by selective Calcium-doping. In the experiments selective Calcium-doping most effectively increased the critical current density of weak spots. (orig.)

On the orientation dependent grain boundary migration in an Fe-6at.%Si alloy

International Nuclear Information System (INIS)

Lejcek, P.; Adamek, J.

1995-01-01

The [100]symmetrical tilt grain boundaries in an Fe-6at.%Si alloy were found to exhibit as pronounced anisotropy of activation enthalpy of migration characterized by its high values for special boundaries as compared to general ones. This rather surprising posing three main contributions to the migration enthalpy: intrinsic migration enthalpy, migration enthalpy resulting from grain boundary segregation, and migration enthalpy resulting from alloy mixing. It is shown that the differences in migration enthalpy of special and general grain boundaries in a concentrated alloy reflect the prevailing character of the intrinsic migration enthalpy over the weakened segregation effects. (orig.)

Partitioning of water between point defects, dislocations, and grain boundaries in olivine

Science.gov (United States)

Tielke, J. A.; Mecklenburgh, J.; Mariani, E.; Wheeler, J.

2017-12-01

Estimates of the storage capacity of water in the interior of the Earth and other terrestrial planets vary significantly. One interpretation is that water in planetary interiors exists primarily as hydrogen ions, dissociated from liquid water, that are associated with point defects in the crystal structure of nominally anhydrous minerals. However, dislocations and grain boundaries may contribute significantly to the storage capacity of water in planetary interiors, but hydrogen concentrations in dislocations and grain boundaries are difficult to quantify. To measure the water storage capacity of dislocations and grain boundaries, we are analyzing results from high-temperature and high-pressure experiments where deuterium, a stable isotope of hydrogen, was incorporated into olivine, the dominate phase in the upper mantle. Compared to hydrogen, deuterium concentrations can be determined at much higher spatial resolution using secondary-ion mass spectroscopy. The concentration of deuterium in the samples will also be quantified using Fourier transform infrared spectroscopy for comparison to results for hydrogen-bearing olivine. The spatial distribution of regions with different densities of geometrically-necessary dislocations and the locations of grain boundaries will be determined using electron-backscatter diffraction (EBSD) analyses. Correlation of the concentration of deuterium with dislocation densities and grain boundaries will be used to examine the partitioning of water-derived species between the different types of defects. Ultimately, these data will be used to place more realistic bounds on the storage capacity of water in the interior of Earth and of other terrestrial planets.

Thermally activated phase slippage in high- T sub c grain-boundary Josephson junctions

Energy Technology Data Exchange (ETDEWEB)

Gross, R.; Chaudhari, P.; Dimos, D.; Gupta, A.; Koren, G. (IBM Thomas J. Watson Research Center, P.O. Box 218, Yorktown Heights, New York 10598 (USA))

1990-01-08

The effect of thermally activated phase slippage (TAPS) in YBa{sub 2}Cu{sub 3}O{sub 7} grain-boundary Josephson junctions has been studied. TAPS has been found to be responsible for the dc noise voltage superimposed on the dc Josephson current near the transition temperature. Because of the reduced Josephson coupling energy of the grain-boundary junctions, which is caused by a reduced superconducting order parameter at the grain-boundary interface, TAPS is present over a considerable temperature range. The implications of TAPS on the applicability of high-{ital T}{sub {ital c}} Josephson junctions are outlined.

Oxygen diffusion in nanocrystalline yttria-stabilized zirconia: the effect of grain boundaries.

Science.gov (United States)

De Souza, Roger A; Pietrowski, Martha J; Anselmi-Tamburini, Umberto; Kim, Sangtae; Munir, Zuhair A; Martin, Manfred

2008-04-21

The transport of oxygen in dense samples of yttria-stabilized zirconia (YSZ), of average grain size d approximately 50 nm, has been studied by means of 18O/16O exchange annealing and secondary ion mass spectrometry (SIMS). Oxygen diffusion coefficients (D*) and oxygen surface exchange coefficients (k*) were measured for temperatures 673grain boundaries. Rather, the analysis indicates that grain boundaries hinder oxygen transport.

Basic study on development of monitoring for crack propagation

International Nuclear Information System (INIS)

Enoki, Manabu; Kishi, Teruo; Kawasaki, Hirotsugu; Aoto, Kazumi

2000-03-01

The system for detecting the generation and propagation of cracks in products and materials has been investigated in this research. Firstly, in order to apply the method to harsh environment such as plant equipment, the system with laser interferometer which cables to detect fracture in non-contact way was tried. It was confirmed that the heterodyne interferometer with He-Ne laser could detect elastic waves propagating through materials, and the non-contact system with four interferometers to detect acoustic emission (AE) wave was developed. It was applied to the thermal stress fracture in alumina coating materials. AE wave during cooling of specimens due to microfracture near the interfaces was detected and the generation time, location, size and fracture mode could be evaluated by the inverse analysis. Thus, the quantitative system for evaluating AE wave was developed and the validity of this system was confirmed. Secondly, in order to predict the crack initiation, the detection tests which were performed to detect a change in damage in the pre-stage of micro crack initiation were tried. For the components that were subject to transient cyclic thermal loading changes, the ultrasonic detection test was performed, and the obtained echo was analyzed. Furthermore, the measurement of micro hardness was performed by using the micro hardness tester for the grain boundary at near crack. The ultrasound velocity which could detect damaged state before crack initiation was estimated from the wavelet analysis of ultrasonic echoes obtained here. It was confirmed to be possible to predict the crack initiation from the change of micro hardness on the grain boundary. (author)

Effect of microstructure and environment on the crack growth behaviour on Inconel 718 alloy at 650/sup 0/C under fatigue, creep and combined loading

Energy Technology Data Exchange (ETDEWEB)

Pedron, J P; Pineau, A

1982-11-01

The crack growth properties of various microstructures developed in one heat of Inconel 718 alloy were investigated at 650/sup 0/C under air and vacuum environments. The microstructures included fine-grained material (ASTM grain sizes 6-8), coarse-grained material (ASTM grain sizes 3-4) and material of a necklace structure (ASTM grain sizes 3-4 and 8-10). The effect of grain boundary ..beta.. (Ni/sub 3/Nb) phase precipitation was also studied. Continuous fatigue, creep and creep-fatigue conditions were examined. For continuous fatigue the influence of frequency was investigated over the range between 5x10/sup -2/ and 20 Hz. For creep-fatigue conditions, hold times of 10 and 300 s were superimposed on a 5x10/sup -2/ Hz triangular wave shape signal. It was shown that the grain boundary microstructure had a very strong effect when the fatigue crack propagation behaviour was essentially time dependent. This effect is associated with the occurrence of brittle intergranular fracture and dramatic increases in crack growth rate. The microstructure had no effect under vacuum testing.

Evaluation of local stress for stress corrosion crack initiation by three-dimensional polycrystal model

International Nuclear Information System (INIS)

Kamaya, Masayuki; Kitamura, Takayuki

2006-01-01

In order to understand the initiation behavior of microstructurally small cracks in a stress corrosion cracking condition, it is important to know the tensile normal stress acting on the grain boundary (normal G.B. stress). The local stress in a polycrystalline body is greatly influenced by deformation constraint which is caused by anisotropic and/or inhomogeneous property of each grain. In present study, the local normal G.B. stress on bi- and tri-crystal bodies and a three-dimensional polycrystalline body consisting of 100 grains were evaluated by the finite element method under a remote uniform tensile stress condition. The polycrystalline body was generated by using a Monte Carlo procedure and random orientations were assigned to each grain. It was revealed that the local normal G.B. stress on the polycrystalline body is inhomogeneous under uniform applied stress. The stress tends to be large near the triple points due to the deformation constraint caused by adjacent grains, even though the grain boundary inclination to the load axis has large influence. It was also shown that particular high stress was not observed at corners of the polycrystalline body. (author)

Grain-boundary effects on the magnetoresistance properties of perovskite manganite films

International Nuclear Information System (INIS)

Gupta, A.; Gong, G.Q.; Xiao, G.; Duncombe, P.R.; Lecoeur, P.; Trouilloud, P.; Wang, Y.Y.; Dravid, V.P.; Sun, J.Z.

1996-01-01

The role of grain boundaries in the magnetoresistance (MR) properties of the manganites has been investigated by comparing the properties of epitaxial and polycrystalline films of La 0.67 D 0.33 MnO 3-δ (D=Ca,Sr, or vacancies). While the MR in the epitaxial films is strongly peaked near the ferromagnetic transition temperature and is very small at low temperatures, the polycrystalline films show large MR over a wide temperature range down to 5 K. The results are explained in terms of switching of magnetic domains in the grains and disorder-induced canting of Mn spins in the grain-boundary region. copyright 1996 The American Physical Society

Improved polycrystalline Ni{sub 54}Mn{sub 16}Fe{sub 9}Ga{sub 21} high-temperature shape memory alloy by γ phase distributing along grain boundaries

Energy Technology Data Exchange (ETDEWEB)

Yang, Shuiyuan; Zhang, Fan; Zhang, Kaixin; Huang, Yangyang; Wang, Cuiping; Liu, Xingjun [Xiamen Univ. (China). Fujian Key Laboratory of Materials Genome

2016-09-15

In this study, the shape recovery and mechanical properties of Ni{sub 54}Mn{sub 16}Fe{sub 9}Ga{sub 21} high-temperature shape memory alloy are improved simultaneously. This results from the low, about 4.4%, volume fraction of γ phase being almost completely distributed along grain boundaries. The recovery strain gradually increases with the increase in residual strain with a shape recovery rate of above 68%, up to a maximum value of 5.3%. The compressive fracture strain of Ni{sub 54}Mn{sub 16}Fe{sub 9}Ga{sub 21} alloy is about 35%. The results further reveal that when applying a high compression deformation two types of cracks form and propagate either within martensite grains (type I) or along the boundaries between martensite phase and γ phase (type II) in the present two-phase alloy.

Numerical study of the atomic and electronic structure of some silicon grain boundaries

International Nuclear Information System (INIS)

Torrent, M.

1996-01-01

This work contributes to the theoretical study of extended defects in covalent materials. The study is especially devoted to the tilt grain boundaries in silicon as a model material. The theoretical model is based on the self-consistent tight-binding approximation and is applied within two numerical techniques: the fast 'order N' density-matrix method and the diagonalization technique which allows the sampling of the reciprocal space. Total energy parameters of the model have been fitted in order to reproduce the silicon band structure (with a correct gap value) and the transferability of crystalline and mechanical properties of this material. A new type of boundary conditions is proposed and tested. These conditions, named 'ante-periodic' or 'Moebius', allow only one grain boundary per box instead of two and decrease the CPU time by a factor of two. The model is then applied to the study of the Σ=25 [001] (710) grain boundary. The results show the possible presence in this boundary of low energy non-reconstructed atomic structures which are electrically active. This confirms what had been suggested by some experimental observations. The same study is also performed for the Σ=13 [001] (510) grain boundary. In order to compare the intrinsic electrical activity in the previous grain boundaries with the one induced by impurities, a total energy parametrization for the silicon-nickel bond is achieved and used in preliminary calculations. Finally the two variants of the Σ=11 [011] (2-33) interface are studied, especially their respective interfacial energies. The result disagrees with previous calculations using phenomenological potentials. (author)

Importance of low-angle grain boundaries in YBa2Cu3O7-δ coated conductors

International Nuclear Information System (INIS)

Durrell, J H; Rutter, N A

2009-01-01

Over the past ten years the perception of grain boundaries in YBa 2 Cu 3 O 7-δ conductors has changed greatly. They are now not a problem to be eliminated, but an inevitable and potentially favourable part of the material. This change has arisen as a consequence of new manufacturing techniques which result in excellent grain alignment, reducing the spread of grain boundary misorientation angles. At the same time there is considerable recent evidence which indicates that the variation of properties of grain boundaries with mismatch angle is more complex than a simple exponential decrease in critical current. This is due to the fact that low-angle grain boundaries represent a qualitatively different system to high-angle boundaries. The time is therefore right for a targeted review of research into low-angle YBa 2 Cu 3 O 7-δ grain boundaries. This article does not purport to be a comprehensive review of the physics of grain boundaries as found in YBa 2 Cu 3 O 7-δ in general; for a broader overview we would recommend that the reader consult the comprehensive review of Hilgenkamp and Mannhart (2002 Rev. Mod. Phys. 74 485). The purpose of this article is to review the origin and properties of the low-angle grain boundaries found in YBa 2 Cu 3 O 7-δ coated conductors both individually and as a collective system. (topical review)

Statistical model for grain boundary and grain volume oxidation kinetics in UO2 spent fuel

International Nuclear Information System (INIS)

Stout, R.B.; Shaw, H.F.; Einziger, R.E.

1989-09-01

This paper addresses statistical characteristics for the simplest case of grain boundary/grain volume oxidation kinetics of UO 2 to U 3 O 7 for a fragment of a spent fuel pellet. It also presents a limited discussion of future extensions to this simple case to represent the more complex cases of oxidation kinetics in spent fuels. 17 refs., 1 fig

Nanocompositional Electron Microscopic Analysis and Role of Grain Boundary Phase of Isotropically Oriented Nd-Fe-B Magnets

Directory of Open Access Journals (Sweden)

Gregor A. Zickler

2017-01-01

Full Text Available Nanoanalytical TEM characterization in combination with finite element micromagnetic modelling clarifies the impact of the grain misalignment and grain boundary nanocomposition on the coercive field and gives guidelines how to improve coercivity in Nd-Fe-B based magnets. The nanoprobe electron energy loss spectroscopy measurements obtained an asymmetric composition profile of the Fe-content across the grain boundary phase in isotropically oriented melt-spun magnets and showed an enrichment of iron up to 60 at% in the Nd-containing grain boundaries close to Nd2Fe14B grain surfaces parallel to the c-axis and a reduced iron content up to 35% close to grain surfaces perpendicular to the c-axis. The numerical micromagnetic simulations on isotropically oriented magnets using realistic model structures from the TEM results reveal a complex magnetization reversal starting at the grain boundary phase and show that the coercive field increases compared to directly coupled grains with no grain boundary phase independently of the grain boundary thickness. This behaviour is contrary to the one in aligned anisotropic magnets, where the coercive field decreases compared to directly coupled grains with an increasing grain boundary thickness, if Js value is > 0.2 T, and the magnetization reversal and expansion of reversed magnetic domains primarily start as Bloch domain wall at grain boundaries at the prismatic planes parallel to the c-axis and secondly as Néel domain wall at the basal planes perpendicular to the c-axis. In summary our study shows an increase of coercive field in isotropically oriented Nd-Fe-B magnets for GB layer thickness > 5 nm and an average Js value of the GB layer < 0.8 T compared to the magnet with perfectly aligned grains.

Effect of Microstructure on Time Dependent Fatigue Crack Growth Behavior In a P/M Turbine Disk Alloy

Science.gov (United States)

Telesman, Ignacy J.; Gabb, T. P.; Bonacuse, P.; Gayda, J.

2008-01-01

A study was conducted to determine the processes which govern hold time crack growth behavior in the LSHR disk P/M superalloy. Nineteen different heat treatments of this alloy were evaluated by systematically controlling the cooling rate from the supersolvus solutioning step and applying various single and double step aging treatments. The resulting hold time crack growth rates varied by more than two orders of magnitude. It was shown that the associated stress relaxation behavior for these heat treatments was closely correlated with the crack growth behavior. As stress relaxation increased, the hold time crack growth resistance was also increased. The size of the tertiary gamma' in the general microstructure was found to be the key microstructural variable controlling both the hold time crack growth behavior and stress relaxation. No relationship between the presence of grain boundary M23C6 carbides and hold time crack growth was identified which further brings into question the importance of the grain boundary phases in determining hold time crack growth behavior. The linear elastic fracture mechanics parameter, Kmax, is unable to account for visco-plastic redistribution of the crack tip stress field during hold times and thus is inadequate for correlating time dependent crack growth data. A novel methodology was developed which captures the intrinsic crack driving force and was able to collapse hold time crack growth data onto a single curve.

Mapping grain boundary heterogeneity at the nanoscale in a positive temperature coefficient of resistivity ceramic

Science.gov (United States)

Holsgrove, Kristina M.; Kepaptsoglou, Demie M.; Douglas, Alan M.; Ramasse, Quentin M.; Prestat, Eric; Haigh, Sarah J.; Ward, Michael B.; Kumar, Amit; Gregg, J. Marty; Arredondo, Miryam

2017-06-01

Despite being of wide commercial use in devices, the orders of magnitude increase in resistance that can be seen in some semiconducting BaTiO3-based ceramics, on heating through the Curie temperature (TC), is far from well understood. Current understanding of the behavior hinges on the role of grain boundary resistance that can be modified by polarization discontinuities which develop in the ferroelectric state. However, direct nanoscale resistance mapping to verify this model has rarely been attempted, and the potential approach to engineer polarization states at the grain boundaries, that could lead to optimized positive temperature coefficient (PTC) behavior, is strongly underdeveloped. Here we present direct visualization and nanoscale mapping in a commercially optimized BaTiO3-PbTiO3-CaTiO3 PTC ceramic using Kelvin probe force microscopy, which shows that, even in the low resistance ferroelectric state, the potential drop at grain boundaries is significantly greater than in grain interiors. Aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy reveal new evidence of Pb-rich grain boundaries symptomatic of a higher net polarization normal to the grain boundaries compared to the purer grain interiors. These results validate the critical link between optimized PTC performance and higher local polarization at grain boundaries in this specific ceramic system and suggest a novel route towards engineering devices where an interface layer of higher spontaneous polarization could lead to enhanced PTC functionality.

Mapping grain boundary heterogeneity at the nanoscale in a positive temperature coefficient of resistivity ceramic

Directory of Open Access Journals (Sweden)

Kristina M. Holsgrove

2017-06-01

Full Text Available Despite being of wide commercial use in devices, the orders of magnitude increase in resistance that can be seen in some semiconducting BaTiO3-based ceramics, on heating through the Curie temperature (TC, is far from well understood. Current understanding of the behavior hinges on the role of grain boundary resistance that can be modified by polarization discontinuities which develop in the ferroelectric state. However, direct nanoscale resistance mapping to verify this model has rarely been attempted, and the potential approach to engineer polarization states at the grain boundaries, that could lead to optimized positive temperature coefficient (PTC behavior, is strongly underdeveloped. Here we present direct visualization and nanoscale mapping in a commercially optimized BaTiO3–PbTiO3–CaTiO3 PTC ceramic using Kelvin probe force microscopy, which shows that, even in the low resistance ferroelectric state, the potential drop at grain boundaries is significantly greater than in grain interiors. Aberration-corrected scanning transmission electron microscopy and electron energy loss spectroscopy reveal new evidence of Pb-rich grain boundaries symptomatic of a higher net polarization normal to the grain boundaries compared to the purer grain interiors. These results validate the critical link between optimized PTC performance and higher local polarization at grain boundaries in this specific ceramic system and suggest a novel route towards engineering devices where an interface layer of higher spontaneous polarization could lead to enhanced PTC functionality.

Laser cladding assisted by friction stir processing for preparation of deformed crack-free Ni-Cr-Fe coating with nanostructure

Science.gov (United States)

Xie, Siyao; Li, Ruidi; Yuan, Tiechui; Chen, Chao; Zhou, Kechao; Song, Bo; Shi, Yusheng

2018-02-01

Although laser cladding has find its widespread application in surface hardening, this technology has been significantly limited by the solidification crack, which usually initiates along grain boundary due to the brittle precipitation in grain boundary and networks formation during the laser rapid melting/solidification process. This paper proposed a novel laser cladding technology assisted by friction stir processing (FSP) to eliminate the usual metallurgical defects by the thermomechanical coupling effect of FSP with the Ni-Cr-Fe as representative coating material. By the FSP assisted laser cladding, the crack in laser cladding Ni-Cr-Fe coating was eliminated and the coarse networks of laser cladding coating was transformed into dispersed nanoparticles. Moreover, the plastic layers with thicknesses 47-140 μm can be observed, with gradient grain refinement from substrate to the top surface in which grain size reached 300 nm and laser photocoagulation net second phase crushed in the layer. In addition, cracks closed in the plastic zone. The refinement of grain resulted the hardness increased to over 400 HV, much higher than the 300 HV of the laser cladding structure. After FSP, the friction coefficient decreased from 0.6167 to 0.5645 which promoted the wear resistance.

A Three-Stage Mechanistic Model for Solidification Cracking During Welding of Steel

Science.gov (United States)

Aucott, L.; Huang, D.; Dong, H. B.; Wen, S. W.; Marsden, J.; Rack, A.; Cocks, A. C. F.

2018-03-01

A three-stage mechanistic model for solidification cracking during TIG welding of steel is proposed from in situ synchrotron X-ray imaging of solidification cracking and subsequent analysis of fracture surfaces. Stage 1—Nucleation of inter-granular hot cracks: cracks nucleate inter-granularly in sub-surface where maximum volumetric strain is localized and volume fraction of liquid is less than 0.1; the crack nuclei occur at solute-enriched liquid pockets which remain trapped in increasingly impermeable semi-solid skeleton. Stage 2—Coalescence of cracks via inter-granular fracture: as the applied strain increases, cracks coalesce through inter-granular fracture; the coalescence path is preferential to the direction of the heat source and propagates through the grain boundaries to solidifying dendrites. Stage 3—Propagation through inter-dendritic hot tearing: inter-dendritic hot tearing occurs along the boundaries between solidifying columnar dendrites with higher liquid fraction. It is recommended that future solidification cracking criterion shall be based on the application of multiphase mechanics and fracture mechanics to the failure of semi-solid materials.

Analysis of defect structure in silicon. Effect of grain boundary density on carrier mobility in UCP material

Science.gov (United States)

Dunn, J.; Stringfellow, G. B.; Natesh, R.

1982-01-01

The relationships between hole mobility and grain boundary density were studied. Mobility was measured using the van der Pauw technique, and grain boundary density was measured using a quantitative microscopy technique. Mobility was found to decrease with increasing grain boundary density.

Microstructure Evolution and Surface Cracking Behavior of Superheavy Forgings during Hot Forging

Directory of Open Access Journals (Sweden)

Zhenhua Wang

2018-01-01

Full Text Available In recent years, superheavy forgings that are manufactured from 600 t grade ingots have been applied in the latest generation of nuclear power plants to provide good safety. However, component production is pushing the limits of the current free-forging industry. Large initial grain sizes and a low strain rate are the main factors that contribute to the deformation of superheavy forgings during forging. In this study, 18Mn18Cr0.6N steel with a coarse grain structure was selected as a model material. Hot compression and hot tension tests were conducted at a strain rate of 10−4·s−1. The essential nucleation mechanism of the dynamic recrystallization involved low-angle grain boundary formation and subgrain rotation, which was independent of the original high-angle grain boundary bulging and the presence of twins. Twins were formed during the growth of dynamic recrystallization grains. The grain refinement was not obvious at 1150°C. A lowering of the deformation temperature to 1050°C resulted in a fine grain structure; however, the stress increased significantly. Crack-propagation paths included high-angle grain boundaries, twin boundaries, and the insides of grains, in that order. For superheavy forging, the ingot should have a larger height and a smaller diameter.

Investigations of the electrical neutralization and bonding mechanisms of shallow impurities in silicon grain boundaries

International Nuclear Information System (INIS)

Kazmerski, L.L.; Nelson, A.J.; Dhere, R.G.; Abou-Elfotouh, F.

1987-01-01

Interactions between shallow acceptors (B, Al, Ga and In) and hydrogen in polycrystalline Si are investigated. The bonding mechanisms involved in the acceptor neutralization process at grain boundaries are examined using microanalytical techniques. Differences in the incorporation of molecular and atomic hydrogen, and corresponding variations in electrical passivation at grain boundaries, are observed. Low-temperature Auger difference spectroscopy confirms Si-H bonding to dominate B, Ga and In-doped cases, with no direct acceptor-hydrogen bonding. Al-rich grain boundaries show H-complex and hydroxyl bonding. The data confirm chemical bond strength trends with B< Ga< In. Volume-indexed AES is utilized to compare bonding and H-distributions in B- and Al-rich grain boundary regions

Detection of grain-boundary resistance to slip transfer using nanoindentation

NARCIS (Netherlands)

Soer, WA; De Hosson, JTM

2005-01-01

Nanoindentation measurements near a high-angle grain boundary in a Fe-14%Si bicrystal showed dislocation pile-up and transmission across the boundary. The latter is observed as a characteristic displacement jump, from which the Hall-Petch slope can be calculated as a measure for the slip

Effects of microstructures and creep conditions on the fractal dimension of grain boundary fracture in high-temperature creep of heat-resistant alloys

International Nuclear Information System (INIS)

Tanaka, Manabu

1993-01-01

The effects of microstructural aspects, such as grain size and grain boundary configuration, and creep conditions on the fractal dimension of the grain boundary fracture were examined using several heat-resistant alloys, principally in an analysis scale range between one grain boundary length and specimen size. Grain boundary fracture surface profiles in the heat-resistant alloys exhibited a fractal nature in the scale range between one grain boundary length and specimen size as well as in the scale range below one grain boundary length. The fractal dimension of the grain boundary fracture slightly increased with decreasing grain size and was generally a little larger in the specimens with serrated grain boundaries than in those with straight grain boundaries. The fractal dimension of the grain boundary and the number of grain boundary microcracks which affected the grain boundary fracture patterns were a little larger in the specimen with the smaller grain size, and were also larger in the specimen with serrated grain boundaries. The fractal dimension of the grain boundary fracture increased with decreasing creep stress in the temperature range from 973 to 1422 K in these alloys, since more grain boundary microcracks existed in the specimens ruptured under the lower stresses at the higher temperatures. (orig.) [de

Effect of solute concentration on grain boundary migration with segregation in stainless steel and model alloys

Science.gov (United States)

Kanda, H.; Hashimoto, N.; Takahashi, H.

The phenomenon of grain boundary migration due to boundary diffusion via vacancies is a well-known process for recrystallization and grain growth during annealing. This phenomenon is known as diffusion-induced grain boundary migration (DIGM) and has been recognized in various binary systems. On the other hand, grain boundary migration often occurs under irradiation. Furthermore, such radiation-induced grain boundary migration (RIGM) gives rise to solute segregation. In order to investigate the RIGM mechanism and the interaction between solutes and point defects during the migration, stainless steel and Ni-Si model alloys were electron-irradiated using a HVEM. RIGM was often observed in stainless steels during irradiation. The migration rate of boundary varied, and three stages of the migration were recognized. At lower temperatures, incubation periods up to the occurrence of the boundary migration were observed prior to first stage. These behaviors were recognized particularly for lower solute containing alloys. From the relation between the migration rates at stage I and inverse temperatures, activation energies for the boundary migration were estimated. In comparison to the activation energy without irradiation, these values were very low. This suggests that the RIGM is caused by the flow of mixed-dumbbells toward the grain boundary. The interaction between solute and point defects and the effective defect concentration generating segregation will be discussed.

Determination of compositional ordering at grain boundaries in boron-doped Ni3Al

International Nuclear Information System (INIS)

Mills, M.J.

1989-01-01

The effects of crystal thickness and defocus on the superlattice contrast from HRTEM images have been demonstrated. The results indicate that fine, FCC fringe spacings in the vicinity of these grain boundaries can be produced if the boundary is slightly inclined to the electron beam, creating the false impression that the region is compositionally disordered. For properly chosen defocus conditions and boundary orientation, contrast typical of the ordered structure extends up to the estimated position of the boundary plane. The lack of a distinct disordered region suggests that microplasticity near grain boundaries is not significantly affected by the presence of B, and that its influence must be highly localized to the boundaries

Investigation of fatigue crack growth rate of Al 5484 ultrafine grained alloy after ECAP process

Energy Technology Data Exchange (ETDEWEB)

Brynk, Tomasz; Rasinski, Marcin; Pakiela, Zbigniew; Kurzydlowski, Krzysztof J. [Faculty of Materials Science and Engineering, Warsaw University of Technology (Poland); Olejnik, Lech [Faculty of Production Engineering, Warsaw University of Technology (Poland)

2010-05-15

During the last decade equal-channel angular pressing (ECAP) has emerged as a widely used fabrication route of ultrafine-grained (UFG) metals and alloys. Enhanced mechanical properties of UFG materials produced by severe plastic deformation, with a grain size smaller than 1 {mu}m, have been reported in a large number of publications. However, the higher strength does not imply higher resistance to fatigue both high- and low-cyclic. In fact, due to reduced plasticity, higher fatigue crack propagation rates are reported for UFG materials, particularly in low-amplitude range. The aim of this work was to investigate fatigue crack propagation in samples of Al 5483 alloy subjected to ECAP treatment. Because of small dimensions of the coupons processed by ECAP, non-standard, mini-samples were used in a crack propagation tests. Two test procedures were used to estimate stress intensity factor (K). The first was based on optical measurements of crack length from images recorded during the test. The second method was based on digital image correlation (DIC), which was used to determine K value directly from displacement field near the crack tip. Comparison of these two methods is made and the relationship between the intensity of ECAP process (measured in terms of the number of ECAP passes) and fatigue crack propagation rates proposed. In addition to fatigue resistance, the results of tensile tests carried out with mini-samples are presented. Applicability of such samples in the investigations of the mechanical properties of UFG materials is discussed. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

Effect of grain boundary phase on the magnetization reversal process of nanocrystalline magnet using large-scale micromagnetic simulation

Directory of Open Access Journals (Sweden)

Hiroshi Tsukahara

2018-05-01

Full Text Available We investigated the effects of grain boundary phases on magnetization reversal in permanent magnets by performing large-scale micromagnetic simulations based on Landau–Lifshitz–Gilbert equation under a periodic boundary. We considered planar grain boundary phases parallel and perpendicular to an easy axis of the permanent magnet and assumed the saturation magnetization and exchange stiffness constant of the grain boundary phase to be 10% and 1%, respectively, for Nd2Fe14B grains. The grain boundary phase parallel to the easy axis effectively inhibits propagation of magnetization reversal. In contrast, the domain wall moves across the grain boundary perpendicular to the easy axis. These properties of the domain wall motion are explained by dipole interaction, which stabilizes the antiparallel magnetic configuration in the direction perpendicular to the magnetization orientation. On the other hand, the magnetization is aligned in the same direction by the dipole interaction parallel to the magnetization orientation. This anisotropy of the effect of the grain boundary phase shows that improvement of the grain boundary phase perpendicular to the easy axis effectively enhances the coercivity of permanent magnets.

Grain boundary engineering to control the discontinuous precipitation in multicomponent U10Mo alloy

Energy Technology Data Exchange (ETDEWEB)

Devaraj, Arun; Kovarik, Libor; Kautz, Elizabeth; Arey, Bruce; Jana, Saumyadeep; Lavender, Curt; Joshi, Vineet

2018-06-01

Grain boundaries in metallic alloys often play a crucial role, not only in determining the mechanical properties or thermal stability of alloys, but also in dictating the phase transformation kinetics during thermomechanical processing. We demonstrate that locally stabilized structure and compositional segregation at grain boundaries—“grain boundary complexions”—in a complex multicomponent alloy can be modified to influence the kinetics of cellular transformation during subsequent thermomechanical processing. Using aberration-corrected scanning transmission electron microscopy and atom probe tomography analysis of a metallic nuclear fuel highly relevant to worldwide nuclear non-proliferation efforts —uranium-10 wt% molybdenum (U-10Mo) alloy, new evidence for the existence of grain boundary complexion is provided. We then modified the concentration of impurities dissolved in Υ-UMo grain interiors and/or segregated to Υ-UMo grain boundaries by changing the homogenization treatment, and these effects were used used to retard the kinetics of cellular transformation during subsequent sub-eutectoid annealing in this U-10-Mo alloy during sub-eutectoid annealing. Thus, this work provided insights on tailoring the final microstructure of the U-10Mo alloy, which can potentially improve the irradiation performance of this important class of alloy fuels.

Superplasticity and grain boundary character distribution in overaged Al-Li-Cu-Mg-Zr alloy

International Nuclear Information System (INIS)

Avramovic-Cingara, G.; Aust, K.T.; Perovic, D.D.; McQueen, H.J.

1995-01-01

Samples of 8091 alloy were subjected to a thermomechanical processing (TMP) treatment that included the following stages: overaging before deformation, multistage deformation at 300 deg C and strain rate change tests for superplasticity. Torsional deformation was utilized both to develop the refined microstructure and to test for superplasticity. The strain rate sensitivity, m, of the material ranged between 0.30 and 0.45 at 450 deg C for strain rates between 8 x 10 -2 and 10 -3 s -1 . The grain boundary character distribution (GBCD) of thermomechanically processed Al-Li-Cu-Mg-Zr (8091) alloy, which develops good superplastic response, has been determined by an electron backscattering diffraction technique (EBSD). All grain boundaries have been classified into one of three categories in terms of Σ values : low angle, coincidence site lattice and random high angle boundaries. Quantitative studies of grain boundary character were done after various processing stages to obtain evidence about structure evolution and indicate an increase in Σ boundary frequency following TMP. Selected area electron diffraction examination (SAD) gave evidence about the refined structure, in which the grain boundary misorientation increased EBSD how the grain boundary character was changed to high Σ values. TEM analyses indicate that the T 2 phase is responsible for substructure stabilization. There is no evidence of cavity formation during superplastic deformation by torsion, which suggests that cavity nucleation is strongly influenced by the nature of stress. (author). 32 refs., 3 tabs., 9 figs

Grain boundary embrittlement and cohesion enhancement in copper

Energy Technology Data Exchange (ETDEWEB)

Paxton, Anthony; Lozovoi, Alexander [Atomistic Simulation Centre, Queen' s University Belfast, BT7 1NN (United Kingdom); Schweinfest, Rainer [Science+Computing ag, Hagellocher Weg 71-5, 720270 T ubingen (Germany); Finnis, Michael [Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)

2008-07-01

There has been a long standing debate surrounding the mechanism of grain boundary embrittlement and cohesion enhancement in metals. Embrittlement can lead to catastrophic failure such as happened in the Hinkley Point disaster, or indeed in the case of the Titanic. This kind of embrittlement is caused by segregation of low solubility impurities to grain boundaries. While the accepted wisdom is that this is a phenomenon driven by electronic or chemical factors, using language such as charge transfer and electronegativity difference; we believe that in copper, at least, both cohesion enhancement and reduction are caused by a simple size effect. We have developed a theory that allows us to separate unambiguously, if not uniquely, chemical and structural factors. We have studied a large number of solutes in copper using first principles atomistic simulation to support this argument, and the results of these calculations are presented here.

Branching-induced grain boundary evolution during directional solidification of columnar dendritic grains

International Nuclear Information System (INIS)

Guo, Chunwen; Li, Junjie; Yu, Honglei; Wang, Zhijun; Lin, Xin; Wang, Jincheng

2017-01-01

We present an investigation of secondary and tertiary branching behavior in diverging grain boundaries (GBs) between two columnar dendritic grains with different crystallographic orientations, both by two-dimensional phase-field simulations and thin-sample experiments. The stochasticity of the GB trajectories and the statistically averaged GB orientations were analyzed in detail. The side-branching dynamics and subsequent branch competition behaviors found in the simulations agreed well with the experimental results. When the orientations of two grains are given, the experimental results indicated that the average GB orientation was independent of the pulling velocity in the dendritic growth regime. The simulation and experimental results, as well as the results reported in the literature exhibit a uniform relation between the percentage of the whole gap region occupied by the favorably oriented grain and the difference in the absolute values of the secondary arm growth directions of the two competitive grains. By describing such a uniform relation with a simple fitting equation, we proposed a simple analytical model for the GB orientation at diverging GBs, which gives a more accurate description of GB orientation selection than the existing models.

Superconductivity of individual grains and inter-grain boundaries for polycrystalline FeSr2YCu2O6+y

International Nuclear Information System (INIS)

Yamaguchi, K.; Hata, Y.; Mochiku, T.; Yasuoka, H.

2013-01-01

Polycrystalline FeSr 2 YCu 2 O 6+y was synthesized and its transport and magnetic properties were studied. Diamagnetism was observed below 60 K. Zero resistivity was observed below 38 K under zero magnetic field and below 10 K under 160 kOe. A two-step transition was observed in resistivity measurement due to the superconductivity in individual grains and across inter-grain boundaries. The critical current density in individual grains, J c intra , at 2 K under 1 kOe was deduced 3.4 × 10 5 A/cm 2 from the Bean model. In contrast, the critical current density in inter-grain boundaries, J c inter , at 2 K was 1.7 A/cm 2 in voltage–current measurement. The two-step transition seems to result from the large difference between J c intra and J c inter

Influence of microstructure on grain boundary sliding of alloys 600 and 690

International Nuclear Information System (INIS)

Kergaravat, J.F.; Guetaz, L.; Baillin, X.; Robert, G.

1995-01-01

The influence of deformation and damage mechanisms, and more especially of the grain boundary sliding effect, on the stress corrosion of nickel base alloys used in nuclear industry (exchanger tubes), has been experimentally examined. The grain boundary sliding effect has been measured at 500 C and 320 C on several samples of alloy 690 and 600 (in the mill annealed and mill annealed heat treated conditions). (author). 4 figs., 1 tab

submitter Thermal stability of interface voids in Cu grain boundaries with molecular dynamic simulations

CERN Document Server

Xydou, A; Aicheler, M; Djurabekova, F

2016-01-01

By means of molecular dynamic simulations, the stability of cylindrical voids is examined with respect to the diffusion bonding procedure. To do this, the effect of grain boundaries between the grains of different crystallographic orientations on the void closing time was studied at high temperatures from 0.7 up to 0.94 of the bulk melting temperature $(T_m)$. The diameter of the voids varied from 3.5 to 6.5 nm. A thermal instability occurring at high temperatures at the surface of the void placed in a grain boundary triggered the eventual closure of the void at all examined temperatures. The closing time has an exponential dependence on the examined temperature values. A model based on the defect diffusion theory is developed to predict the closing time for voids of macroscopic size. The diffusion coefficient within the grain boundaries is found to be overall higher than the diffusion coefficient in the region around the void surface. The activation energy for the diffusion in the grain boundary is calculate...

Local strain in front of cracks in the case of creep fatigue

International Nuclear Information System (INIS)

Rie Kyongtschong; Olfe, J.

1993-01-01

In-situ measurements of strain fields in front of cracks were performed for high temperature Low Cycle Fatigue (LCF) with different hold times by means of a grid method. The tests were carried out on the austenitic stainless steel 304 L and the ferritic steel X22 CrMoV 12 1. Simultaneous observation of crack growth leads to a correlation between crack growth and local strain. The interaction of creep and fatigue related to strain concentration at the crackk tip and crack growth was discussed. A model is proposed which is based on the formation of cavities on grain boundaries. (orig.) [de

A boundary integral method for a dynamic, transient mode I crack problem with viscoelastic cohesive zone

KAUST Repository

Leise, Tanya L.; Walton, Jay R.; Gorb, Yuliya

2009-01-01

interpenetration, in contrast to the usual mode I boundary conditions that assume all unloaded crack faces are stress-free. The nonlinear viscoelastic cohesive zone behavior is motivated by dynamic fracture in brittle polymers in which crack propagation

Large modulation of carrier transport by grain-boundary molecular packing and microstructure in organic thin films

KAUST Repository

Rivnay, Jonathan

2009-11-08

Solution-processable organic semiconductors are central to developing viable printed electronics, and performance comparable to that of amorphous silicon has been reported for films grown from soluble semiconductors. However, the seemingly desirable formation of large crystalline domains introduces grain boundaries, resulting in substantial device-to-device performance variations. Indeed, for films where the grain-boundary structure is random, a few unfavourable grain boundaries may dominate device performance. Here we isolate the effects of molecular-level structure at grain boundaries by engineering the microstructure of the high-performance n-type perylenediimide semiconductor PDI8-CN 2 and analyse their consequences for charge transport. A combination of advanced X-ray scattering, first-principles computation and transistor characterization applied to PDI8-CN 2 films reveals that grain-boundary orientation modulates carrier mobility by approximately two orders of magnitude. For PDI8-CN 2 we show that the molecular packing motif (that is, herringbone versus slip-stacked) plays a decisive part in grain-boundary-induced transport anisotropy. The results of this study provide important guidelines for designing device-optimized molecular semiconductors. © 2009 Macmillan Publishers Limited. All rights reserved.

Grain boundary sweeping and dissolution effects on fission product behaviour under severe fuel damage accident conditions

International Nuclear Information System (INIS)

Rest, J.

1986-01-01

The theoretical FASTGRASS-VFP model has been used in the interpretation of fission gas, iodine, tellurium, and cesium release from severe-fuel-damage (SFD) tests performed in the PBF reactor in Idaho. A theory of grain boundary sweeping of gas bubbles, gas bubble behavior during fuel liquefaction (destruction of grain boundaries due to formation of a U-rich melt phase), and during U-Zr eutectic melting has been included within the FASTGRASS-VFP formalism. The grain-boundary-sweeping theory considers the interaction between the moving grain boundary and two distinct size classes of bubbles, those on grain faces and on grain edges. The theory of the effects of fuel liquefaction and U-Zr eutectic melting on fission product behaviour considers the migration and coalescence of fission gas bubbles in either molten uranium, or a Zircaloy-Uranium eutectic melt. Results of the analyses demonstrate that intragranular fission product behavior during the tests can be interpreted in terms of a grain-growth/grain-boundary-sweeping mechanism that enhances the flow of fission products from within the grains to the grain boundaries. Whereas fuel liquefaction leads to an enhanced release of fission products in trace-irradiated fuel, the occurrence of fuel liquefaction in normally-irradiated fuel can degrade fission product release. This phenomenon is due in part to reduced gas-bubble mobilities in a viscous medium as compared to vapor transport, and in part to a degradation of grain growth rates and the subsequent decrease in grain-boundary sweeping of intragranular fission products into the liquified lamina. The analysis shows that total UO 2 dissolution due to eutectic melting leads to increased release for both trace-irradiated and normally-irradiated fuel. The FASTGRASS-VFP predictions, measured release rates from the above tests, and previously published release rates are compared and differences between fission product behavior in trace-irradiated and in normally

The effect of electron scattering from disordered grain boundaries on the resistivity of metallic nanostructures

International Nuclear Information System (INIS)

Arenas, Claudio; Henriquez, Ricardo; Moraga, Luis; Muñoz, Enrique; Munoz, Raul C.

2015-01-01

Highlights: • Quantum theory of the resistivity arising from electron-grain boundary scattering in nanometric metallic structures. • The resistivity is controlled by the collective properties of the grain assembly, by the allowed Kronig-Penney (KP) bands and by the electron transmission probability across successive grains. • When the grain diameter d is larger than the electron mean free path l, the increase in resistivity arises mainly from a decrease of the number of states at the Fermi surface that are allowed KP bands. • When the grain diameter d is smaller than the electron mean free path l, the increase in resistivity arises primarily from Anderson localization caused by electron transmission across successive grains. - Abstract: We calculate the electrical resistivity of a metallic specimen, under the combined effects of electron scattering by impurities, grain boundaries, and rough surfaces limiting the film, using a quantum theory based upon the Kubo formalism. Grain boundaries are represented by a one-dimensional periodic array of Dirac delta functions separated by a distance “d” giving rise to a Kronig–Penney (KP) potential. We use the Green's function built from the wave functions that are solutions of this KP potential; disorder is included by incorporating into the theory the probability that an electron is transmitted through several successive grain boundaries. We apply this new theory to analyze the resistivity of samples S1, S2, S7 and S8 measured between 4 and 300 K reported in Appl. Surf. Science273, 315 (2013). Although both the classical and the quantum theories predict a resistivity that agrees with experimental data to within a few percent or better, the phenomena giving rise to the increase of resistivity over the bulk are remarkably different. Classically, each grain boundary contributes to the electrical resistance by reflecting a certain fraction of the incoming electrons. In the quantum description, there are states

The effect of electron scattering from disordered grain boundaries on the resistivity of metallic nanostructures

Energy Technology Data Exchange (ETDEWEB)

Arenas, Claudio [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Blanco Encalada 2008, Casilla 487-3, Santiago 8370449 (Chile); Synopsys Inc., Avenida Vitacura 5250, Oficina 708, Vitacura, Santiago (Chile); Henriquez, Ricardo [Departamento de Física, Universidad Técnica Federico Santa María, Av. España 1680, Casilla 110-V, Valparaíso (Chile); Moraga, Luis [Universidad Central de Chile, Toesca 1783, Santiago (Chile); Muñoz, Enrique [Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, Santiago 7820436 (Chile); Munoz, Raul C., E-mail: ramunoz@ing.uchile.cl [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Blanco Encalada 2008, Casilla 487-3, Santiago 8370449 (Chile)

2015-02-28

Highlights: • Quantum theory of the resistivity arising from electron-grain boundary scattering in nanometric metallic structures. • The resistivity is controlled by the collective properties of the grain assembly, by the allowed Kronig-Penney (KP) bands and by the electron transmission probability across successive grains. • When the grain diameter d is larger than the electron mean free path l, the increase in resistivity arises mainly from a decrease of the number of states at the Fermi surface that are allowed KP bands. • When the grain diameter d is smaller than the electron mean free path l, the increase in resistivity arises primarily from Anderson localization caused by electron transmission across successive grains. - Abstract: We calculate the electrical resistivity of a metallic specimen, under the combined effects of electron scattering by impurities, grain boundaries, and rough surfaces limiting the film, using a quantum theory based upon the Kubo formalism. Grain boundaries are represented by a one-dimensional periodic array of Dirac delta functions separated by a distance “d” giving rise to a Kronig–Penney (KP) potential. We use the Green's function built from the wave functions that are solutions of this KP potential; disorder is included by incorporating into the theory the probability that an electron is transmitted through several successive grain boundaries. We apply this new theory to analyze the resistivity of samples S1, S2, S7 and S8 measured between 4 and 300 K reported in Appl. Surf. Science273, 315 (2013). Although both the classical and the quantum theories predict a resistivity that agrees with experimental data to within a few percent or better, the phenomena giving rise to the increase of resistivity over the bulk are remarkably different. Classically, each grain boundary contributes to the electrical resistance by reflecting a certain fraction of the incoming electrons. In the quantum description, there are states

Analysis of events related to cracks and leaks in the reactor coolant pressure boundary

Energy Technology Data Exchange (ETDEWEB)

Ballesteros, Antonio, E-mail: Antonio.Ballesteros-Avila@ec.europa.eu [JRC-IET: Institute for Energy and Transport of the Joint Research Centre of the European Commission, Postbus 2, NL-1755 ZG Petten (Netherlands); Sanda, Radian; Peinador, Miguel; Zerger, Benoit [JRC-IET: Institute for Energy and Transport of the Joint Research Centre of the European Commission, Postbus 2, NL-1755 ZG Petten (Netherlands); Negri, Patrice [IRSN: Institut de Radioprotection et de Sûreté Nucléaire (France); Wenke, Rainer [GRS: Gesellschaft für Anlagen- und Reaktorsicherheit (GRS) mbH (Germany)

2014-08-15

Highlights: • The important role of Operating Experience Feedback is emphasised. • Events relating to cracks and leaks in the reactor coolant pressure boundary are analysed. • A methodology for event investigation is described. • Some illustrative results of the analysis of events for specific components are presented. - Abstract: The presence of cracks and leaks in the reactor coolant pressure boundary may jeopardise the safe operation of nuclear power plants. Analysis of cracks and leaks related events is an important task for the prevention of their recurrence, which should be performed in the context of activities on Operating Experience Feedback. In response to this concern, the EU Clearinghouse operated by the JRC-IET supports and develops technical and scientific work to disseminate the lessons learned from past operating experience. In particular, concerning cracks and leaks, the studies carried out in collaboration with IRSN and GRS have allowed to identify the most sensitive areas to degradation in the plant primary system and to elaborate recommendations for upgrading the maintenance, ageing management and inspection programmes. An overview of the methodology used in the analysis of cracks and leaks related events is presented in this paper, together with the relevant results obtained in the study.

Substitutional Boron in Nanodiamond, Bucky-Diamond, and Nanocrystalline Diamond Grain Boundaries

Energy Technology Data Exchange (ETDEWEB)

Barnard, Amanda S.; Sternberg, Michael G.

2006-10-05

Although boron has been known for many years to be a successful dopant in bulk diamond, efficient doping of nanocrystalline diamond with boron is still being developed. In general, the location, configuration, and bonding structure of boron in nanodiamond is still unknown, including the fundamental question of whether it is located within grains or grain boundaries of thin films and whether it is within the core or at the surface of nanoparticles. Presented here are density functional tight-binding simulations examining the configuration, potential energy surface, and electronic charge of substitutional boron in various types of nanocrystalline diamond. The results predict that boron is likely to be positioned at the surface of isolated particles and at the grain boundary of thin-film samples.

Bandgap tunability at single-layer molybdenum disulphide grain boundaries

KAUST Repository

Huang, Yu Li

2015-02-17

Two-dimensional transition metal dichalcogenides have emerged as a new class of semiconductor materials with novel electronic and optical properties of interest to future nanoelectronics technology. Single-layer molybdenum disulphide, which represents a prototype two-dimensional transition metal dichalcogenide, has an electronic bandgap that increases with decreasing layer thickness. Using high-resolution scanning tunnelling microscopy and spectroscopy, we measure the apparent quasiparticle energy gap to be 2.40±0.05 eV for single-layer, 2.10±0.05 eV for bilayer and 1.75±0.05 eV for trilayer molybdenum disulphide, which were directly grown on a graphite substrate by chemical vapour deposition method. More interestingly, we report an unexpected bandgap tunability (as large as 0.85±0.05 eV) with distance from the grain boundary in single-layer molybdenum disulphide, which also depends on the grain misorientation angle. This work opens up new possibilities for flexible electronic and optoelectronic devices with tunable bandgaps that utilize both the control of two-dimensional layer thickness and the grain boundary engineering.

Effect of texture on grain boundary misorientation distributions in polycrystalline high temperature superconductors

International Nuclear Information System (INIS)

Goyal, A.; Specht, E.D.; Kroeger, D.M.; Mason, T.A.

1996-01-01

Computer simulations were performed to determine the most probable grain boundary misorientation distribution (GBMD) in model polycrystalline superconductors. GBMDs in polycrystalline superconductors can be expected to dictate the macroscopic transport critical current density, J c . Calculations were performed by simulating model polycrystals and then determining the GBMD. Such distributions were calculated for random materials having cubic, tetragonal, and orthorhombic crystal symmetry. In addition, since most high temperature superconductors are tetragonal or pseudotetragonal, the effect of macroscopic uniaxial and biaxial grain orientation texture on the GBMD was determined for tetragonal materials. It is found that macroscopic texture drastically alters the grain boundary misorientation distribution. The fraction of low angle boundaries increases significantly with uniaxial and biaxial texture. The results of this study are important in correlating the macroscopic transport J c with the measured grain orientation texture as determined by x-ray diffraction copyright 1996 American Institute of Physics

First-principles study of the effects of segregated Ga on an Al grain boundary

International Nuclear Information System (INIS)

Zhang Ying; Lu Guanghong; Wang Tianmin; Deng Shenghua; Shu Xiaolin; Kohyama, Masanori; Yamamoto, Ryoichi

2006-01-01

The effects of different amounts of segregated Ga (substitutional) on an Al grain boundary have been investigated by using a first-principles pseudopotential method. The segregated Ga is found to draw charge from the surrounding Al due to the electronegativity difference between Ga and Al, leading to a charge density reduction between Ga and Al as well as along the Al grain boundary. Such an effect can be enhanced by increasing the Ga segregation amount. With further Ga segregated, in addition to the charge-drawing effect that occurs in the Al-Ga interface, a heterogeneous α-Ga-like phase can form in the grain boundary, which greatly alters the boundary structure. These effects are suggested to be responsible for Ga-induced Al intergranular embrittlement

Physics of grain boundaries in polycrystalline photovoltaic semiconductors

Energy Technology Data Exchange (ETDEWEB)

Yan, Yanfa, E-mail: yanfa.yan@utoledo.edu; Yin, Wan-Jian; Wu, Yelong; Shi, Tingting; Paudel, Naba R. [Department of Physics and Astronomy and Wright Center for Photovoltaics Innovation and Commercialization, The University of Toledo, Ohio 43606 (United States); Li, Chen [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Poplawsky, Jonathan [The Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Wang, Zhiwei [Department of Physics and Astronomy and Wright Center for Photovoltaics Innovation and Commercialization, The University of Toledo, Ohio 43606 (United States); National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Moseley, John; Guthrey, Harvey; Moutinho, Helio; Al-Jassim, Mowafak M. [National Renewable Energy Laboratory, Golden, Colorado 80401 (United States); Pennycook, Stephen J. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)

2015-03-21

Thin-film solar cells based on polycrystalline Cu(In,Ga)Se{sub 2} (CIGS) and CdTe photovoltaic semiconductors have reached remarkable laboratory efficiencies. It is surprising that these thin-film polycrystalline solar cells can reach such high efficiencies despite containing a high density of grain boundaries (GBs), which would seem likely to be nonradiative recombination centers for photo-generated carriers. In this paper, we review our atomistic theoretical understanding of the physics of grain boundaries in CIGS and CdTe absorbers. We show that intrinsic GBs with dislocation cores exhibit deep gap states in both CIGS and CdTe. However, in each solar cell device, the GBs can be chemically modified to improve their photovoltaic properties. In CIGS cells, GBs are found to be Cu-rich and contain O impurities. Density-functional theory calculations reveal that such chemical changes within GBs can remove most of the unwanted gap states. In CdTe cells, GBs are found to contain a high concentration of Cl atoms. Cl atoms donate electrons, creating n-type GBs between p-type CdTe grains, forming local p-n-p junctions along GBs. This leads to enhanced current collections. Therefore, chemical modification of GBs allows for high efficiency polycrystalline CIGS and CdTe thin-film solar cells.

Separating the Influence of Environment from Stress Relaxation Effects on Dwell Fatigue Crack Growth

Science.gov (United States)

Telesman, Jack; Gabb, Tim; Ghosn, Louis J.

2016-01-01

Seven different microstructural variations of LSHR were produced by controlling the cooling rate and the subsequent aging and thermal exposure heat treatments. Through cyclic fatigue crack growth testing performed both in air and vacuum, it was established that four out of the seven LSHR heat treatments evaluated, possessed similar intrinsic environmental resistance to cyclic crack growth. For these four heat treatments, it was further shown that the large differences in dwell crack growth behavior which still persisted, were related to their measured stress relaxation behavior. The apparent differences in their dwell crack growth resistance were attributed to the inability of the standard linear elastic fracture mechanics (LEFM) stress intensity parameter to account for visco-plastic behavior. Crack tip stress relaxation controls the magnitude of the remaining local tensile stresses which are directly related to the measured dwell crack growth rates. It was hypothesized that the environmentally weakened grain boundary crack tip regions fail during the dwells when their strength is exceeded by the remaining local crack tip tensile stresses. It was shown that the classical creep crack growth mechanisms such as grain boundary sliding did not contribute to crack growth, but the local visco-plastic behavior still plays a very significant role by determining the crack tip tensile stress field which controls the dwell crack growth behavior. To account for the influence of the visco-plastic behavior on the crack tip stress field, an empirical modification to the LEFM stress intensity parameter, Kmax, was developed by incorporating into the formulation the remaining stress level concept as measured by simple stress relaxation tests. The newly proposed parameter, Ksrf, did an excellent job in correlating the dwell crack growth rates for the four heat treatments which were shown to have similar intrinsic environmental cyclic fatigue crack growth resistance.

Crystalline orientation dependent photoresponse and heterogeneous behaviors of grain boundaries in perovskite solar cells

Science.gov (United States)

Jiang, Chuanpeng; Zhang, Pengpeng

2018-02-01

Using photoconductive atomic force microscopy and Kelvin probe force microscopy, we characterize the local electrical properties of grains and grain boundaries of organic-inorganic hybrid perovskite (CH3NH3PbI3) thin films on top of a poly(3,4-ethylenedioxythiophene)-polystyrene sulfonate (PEDOT:PSS)/ITO substrate. Three discrete photoconductivity levels are identified among perovskite grains, likely corresponding to the crystal orientation of each grain. Local J-V curves recorded on these grains further suggest an anti-correlation behavior between the short circuit current (JSC) and open circuit voltage (VOC). This phenomenon can be attributed to diffusion-limited surface recombination at the non-selective perovskite-tip contact, where a higher carrier mobility established in the perovskite grain results in an enhanced surface recombination and thus a lower VOC. In addition, the photoresponse of perovskite films displays a pronounced heterogeneity across the grain boundaries, with the boundaries formed between grains of the same photoconductivity level displaying even enhanced photocurrent and open circuit voltage compared to those of the adjacent grain interiors. These observations highlight the significance of controlling the microstructure of perovskite thin films, which will be a necessary route for further improving the efficiency of perovskite solar cells.

Development of micro tensile testing method in an FIB system for evaluating grain boundary strength

International Nuclear Information System (INIS)

Fujii, Katsuhiko; Fukuya, Koji

2010-01-01

A micro tensile testing method for evaluating grain boundary strength was developed. Specimens of 2 x 2 x 10μm having one grain boundary were made by focused ion beam (FIB) micro-processing and tensioned in an FIB system in situ. The load was measured from the deflection of the silicon cantilever. The method was applied to aged and unaged Fe-Mn-P alloy specimens with different level of grain boundary phosphorus segregation. The load at intergranular fracture decreased with increasing phosphorus segregation. (author)

Microstructure and composition of electromagnetically-characterized YBa2Cu3O7-δ grain boundaries

International Nuclear Information System (INIS)

Babcock, S.E.; Zhang, Na; Cai, Xue Yu; Larbalestier, D.C.; Gao, Yufei; Merkle, K.L.; Kaiser, D.L.

1991-01-01

The electrical character (flux-pinning, Josephson junction, or resistive) of the grain boundaries in approximately twenty flux-grown YBa 2 Cu 3 O 7-δ bicrystals was determined in previous studies. A selection of these same bicrystals now have been thinned for study by transmission and scanning transmission electron microscopy. High-spatial resolution imaging and analytical techniques reveal microstructural differences among these boundaries that are consistent with their diverse electrical characteristics. The observations offer preliminary insight into some of the feature that control the grain boundary superconducting properties and re-emphasize the very fine scale on which the grain boundary electrical character is determined. 11 refs., 6 figs

A Cosserat crystal plasticity and phase field theory for grain boundary migration

Science.gov (United States)

Ask, Anna; Forest, Samuel; Appolaire, Benoit; Ammar, Kais; Salman, Oguz Umut

2018-06-01

The microstructure evolution due to thermomechanical treatment of metals can largely be described by viscoplastic deformation, nucleation and grain growth. These processes take place over different length and time scales which present significant challenges when formulating simulation models. In particular, no overall unified field framework exists to model concurrent viscoplastic deformation and recrystallization and grain growth in metal polycrystals. In this work a thermodynamically consistent diffuse interface framework incorporating crystal viscoplasticity and grain boundary migration is elaborated. The Kobayashi-Warren-Carter (KWC) phase field model is extended to incorporate the full mechanical coupling with material and lattice rotations and evolution of dislocation densities. The Cosserat crystal plasticity theory is shown to be the appropriate framework to formulate the coupling between phase field and mechanics with proper distinction between bulk and grain boundary behaviour.

Enthalpy - entropy compensation effect in grain boundary phenomena

Czech Academy of Sciences Publication Activity Database

Lejček, Pavel

2005-01-01

Roč. 96, č. 10 (2005), s. 1129-1133 ISSN 0044-3093 R&D Projects: GA MPO(CZ) FF-P2/053 Institutional research plan: CEZ:AV0Z10100520 Keywords : compensation effect * enthalpy * entropy * thermodynamics * grain boundary Subject RIV: BJ - Thermodynamics Impact factor: 0.842, year: 2005

Stress corrosion crack tip microstructure in nickel-based alloys

International Nuclear Information System (INIS)

Shei, S.A.; Yang, W.J.

1994-04-01

Stress corrosion cracking behavior of several nickel-base alloys in high temperature caustic environments has been evaluated. The crack tip and fracture surfaces were examined using Auger/ESCA and Analytical Electron Microscopy (AEM) to determine the near crack tip microstructure and microchemistry. Results showed formation of chromium-rich oxides at or near the crack tip and nickel-rich de-alloying layers away from the crack tip. The stress corrosion resistance of different nickel-base alloys in caustic may be explained by the preferential oxidation and dissolution of different alloying elements at the crack tip. Alloy 600 (UNS N06600) shows good general corrosion and intergranular attack resistance in caustic because of its high nickel content. Thermally treated Alloy 690 (UNS N06690) and Alloy 600 provide good stress corrosion cracking resistance because of high chromium contents along grain boundaries. Alloy 625 (UNS N06625) does not show as good stress corrosion cracking resistance as Alloy 690 or Alloy 600 because of its high molybdenum content

Increase of resistance to cracking on stress relieving of hardened steel

International Nuclear Information System (INIS)

Velichko, V.V.; Zabil'skij, V.V.; Mikheev, G.M.

1995-01-01

Regularities of increase of resistance to cracking during stress relieving of hardened low-alloyed steels were studied, using complex of methods. Effect of carbon, stress concentrator radius, duration and temperature of stress relieving was studies in particular. Results of investigating kinetics of change of physicomechanical properties, hydrogen desorption from hardened specimens showed, that increase of resistance to cracking was caused by desorption from grain boundaries of diffusion-mobile hydrogen, formed during hardening. 18 refs., 8 figs

Transport properties through graphene grain boundaries: strain effects versus lattice symmetry

Science.gov (United States)

Hung Nguyen, V.; Hoang, Trinh X.; Dollfus, P.; Charlier, J.-C.

2016-06-01

As most materials available at the macroscopic scale, graphene samples usually appear in a polycrystalline form and thus contain grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene grain boundaries is investigated using atomistic simulations. A systematic picture of transport properties with respect to the strain and lattice symmetry of graphene domains on both sides of the boundary is provided. In particular, it is shown that strain engineering can be used to open a finite transport gap in all graphene systems where the two domains are arranged in different orientations. This gap value is found to depend on the strain magnitude, on the strain direction and on the lattice symmetry of graphene domains. By choosing appropriately the strain direction, a large transport gap of a few hundred meV can be achieved when applying a small strain of only a few percents. For a specific class of graphene grain boundary systems, strain engineering can also be used to reduce the scattering on defects and thus to significantly enhance the conductance. With a large strain-induced gap, these graphene heterostructures are proposed to be promising candidates for highly sensitive strain sensors, flexible electronic devices and p-n junctions with non-linear I-V characteristics.

The grain boundary segregation of phosphorus in thermally aged and irradiated C-Mn submerged-are weld metal

International Nuclear Information System (INIS)

Mendes, C.M.

1999-01-01

The segregation of free phosphorus atoms to grain boundaries in C-Mn steels has been identified as an embrittlement mechanism. A change in the brittle fracture mechanism from transgranular to intergranular has been observed for materials with higher phosphorus grain boundary coverage. The grain boundary segregation of phosphorus in various steels used in the nuclear power industry has been thermodynamically and kinetically modelled mostly with the Langmuir-McLean model. Recent publications have also suggested that neutron irradiation can affect segregation and various attempts at modelling this are currently under way. The present paper describes a data base assembled on phosphorus grain boundary coverage measured by Auger electron spectroscopy on thermally aged and irradiated C-Mn submerged-arc weld specimens. Software tools were developed to evaluate the changes in phosphorus grain boundary coverage associated with instantaneous temperature changes and temperature gradients. The phosphorus free energy change associated with grain boundary segregation was modelled from the thermally aged data and used with the software to determine the phosphorus segregation in submerged-arc weld metals following the post weld stress relief heat treatments received prior to plant operation. The phosphorus grain boundary coverage changes arising from the thermal history of submerged-arc weld materials during irradiation were also modelled and found to compare well with data obtained on irradiated materials. It was concluded that under the irradiation conditions sampled, phosphorus grain boundary segregation in submerged-arc weld materials can be modelled successfully using only the thermal term without appealing to an irradiation induced segregation process. (author)

Evaluation of local stress and local hydrogen concentration at grain boundary using three-dimensional polycrystalline model

International Nuclear Information System (INIS)

Ebihara, Ken-ichi; Itakura, Mitsuhiro; Yamaguchi, Masatake; Kaburaki, Hideo; Suzudo, Tomoaki

2010-01-01

The decohesion model in which hydrogen segregating at grain boundaries reduces cohesive energy is considered to explain hydrogen embrittlement. Although there are several experimental and theoretical supports of this model, its total process is still unclear. In order to understand hydrogen embrittlement in terms of the decohesion model, therefore, it is necessary to evaluate stress and hydrogen concentration at grain boundaries under experimental conditions and to verify the grain boundary decohesion process. Under this consideration, we evaluated the stress and the hydrogen concentration at grain boundaries in the three-dimensional polycrystalline model which was generated by the random Voronoi tessellation. The crystallographic anisotropy was given to each grain. As the boundary conditions of the calculations, data extracted from the results calculated in the notched round-bar specimen model under the tensile test condition in which fracture of the steel specimen is observed was given to the polycrystalline model. As a result, it was found that the evaluated stress does not reach the fracture stress which was estimated under the condition of the evaluated hydrogen concentration by first principles calculations. Therefore, it was considered that the initiation of grain boundary fracture needs other factors except the stress concentration due to the crystallographic anisotropy. (author)

Columns formed by multiple twinning in nickel layers—An approach of grain boundary engineering by electrodeposition

DEFF Research Database (Denmark)

Alimadadi, Hossein; da Silva Fanta, Alice Bastos; Somers, Marcel A. J.

2013-01-01

grain boundaries. A peculiar arrangement of Σ3 boundaries forming five-fold junctions is observed. The resulting microstructure meets the requirements for grain boundary engineering. Twinning induced effects on the crystallographic orientation of grains result in one major texture component being a ⟨210......⟩ fiber axis and additional minor orientations originating from first and second generation twins of ⟨210⟩, i.e., ⟨542⟩ and ⟨20 2 1⟩....

Compressive intrinsic stress originates in the grain boundaries of dense refractory polycrystalline thin films

Energy Technology Data Exchange (ETDEWEB)

Magnfält, D., E-mail: danma@ifm.liu.se; Sarakinos, K. [Nanoscale Engineering Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Fillon, A.; Abadias, G. [Institut P' , Département Physique et Mécanique des Matériaux, Université de Poitiers-CNRS-ENSMA, SP2MI, Téléport 2, Bd M. et P. Curie, F-86962 Chasseneuil-Futuroscope (France); Boyd, R. D.; Helmersson, U. [Plasma and Coatings Physics Division, Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden)

2016-02-07

Intrinsic stresses in vapor deposited thin films have been a topic of considerable scientific and technological interest owing to their importance for functionality and performance of thin film devices. The origin of compressive stresses typically observed during deposition of polycrystalline metal films at conditions that result in high atomic mobility has been under debate in the literature in the course of the past decades. In this study, we contribute towards resolving this debate by investigating the grain size dependence of compressive stress magnitude in dense polycrystalline Mo films grown by magnetron sputtering. Although Mo is a refractory metal and hence exhibits an intrinsically low mobility, low energy ion bombardment is used during growth to enhance atomic mobility and densify the grain boundaries. Concurrently, the lateral grain size is controlled by using appropriate seed layers on which Mo films are grown epitaxially. The combination of in situ stress monitoring with ex situ microstructural characterization reveals a strong, seemingly linear, increase of the compressive stress magnitude on the inverse grain size and thus provides evidence that compressive stress is generated in the grain boundaries of the film. These results are consistent with models suggesting that compressive stresses in metallic films deposited at high homologous temperatures are generated by atom incorporation into and densification of grain boundaries. However, the underlying mechanisms for grain boundary densification might be different from those in the present study where atomic mobility is intrinsically low.

Enhancement of fatigue crack growth rates in pressure boundary materials due to light-water-reactor environments

International Nuclear Information System (INIS)

VanDerSluys, W.A.; Emanuelson, R.H.

1988-01-01

The high level of reliability required of the primary-coolant pressure boundary in a nuclear reactor system leads to a continuing interest in the interaction among the coolant, pressure boundary materials, and service loadings. One area of concern involves the possible enhancement of the growth rate of fatigue cracks due to the coolant. Advances have occurred recently toward a better understanding of the variables influencing the material/environment interactions and methods of addressing this interaction. Sulfur now appears to be one of the principal agents responsible for the observed enhancement of the fatigue crack growth rates in light-water-reactor (LWR) environments. This paper presents the results of investigations on the effect of sulfur in the steel, bulk water environment, and at the crack tip

Grain boundary microchemistry and metallurgical characterization of Eurofer'97 after simulated service conditions

International Nuclear Information System (INIS)

Fernandez, P.; Garcia-Mazario, M.; Lancha, A.M.; Lapena, J.

2004-01-01

The aim of this paper is to describe the microstructural investigations, the mechanical properties (hardness, tensile and charpy) and the grain boundary microchemistry studied by Auger electron spectroscopy (AES), of the Eurofer'97 steel aged in the range of temperatures from 400 to 600 deg. C up to 10,000 h. After these thermal aging treatments the steel showed a high microstructural stability, and similar values of hardness, ultimate tensile strength and 0.2% proof stress regardless of the material condition. A slight DBTT increase was observed in the material aged at 600 deg. C for 5000 and 10,000 h. The Auger results showed chromium enrichment at grain boundaries in all material conditions. In addition, phosphorus was detected at the grain boundaries after the aging treatments at 500 deg. C

Effects of microstructure and local mechanical fields on intergranular stress corrosion cracking of a friction stir welded aluminum–copper–lithium 2050 nugget

International Nuclear Information System (INIS)

Dhondt, Matthieu; Aubert, Isabelle; Saintier, Nicolas; Olive, Jean Marc

2014-01-01

Highlights: • Applied stress changes the corrosion mode from pitting to intergranular cracking. • Residual stresses are sufficient to induce intergranular stress corrosion cracking. • Effect of crystallographic texture on the development of IGSCC evidenced by EBSD. • Cubic elasticity drives the local orientation of the intergranular cracking. • Tomography observations show the 3D nature of the corrosion development. - Abstract: The effects of the microstructure and mechanical fields on intergranular stress corrosion cracking (IGSCC) of the nugget zone of heat treated welds obtained by friction stir welding in the AA2050 aluminum alloy have been investigated at different scales. At low strain rate, in 1.0 NaCl aqueous solution, IGSCC develops in the microstructure, whereas only pitting corrosion is observed without any mechanical stress. Based on surface observations, EBSD analysis and X-ray tomography, the key role of sub-millimetric textured bands (induced by the welding process) on the IGSCC is demonstrated. Analyses at a more local scale show the grain boundary (low angle boundary, special coincident site lattice boundary or high angle boundary) do not have a significant effect on crack initiation. Crystal plasticity finite element calculations show that the threshold normal stress at grain boundaries for IGSCC development is about 80% of the macroscopic stress. It is also highlighted by crystal plasticity calculations that there is a drastic effect of the local stress field on the shape of cracks. Finally, it is shown that plasticity induced residual stresses are sufficient for the formation of IGSCC

Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

Science.gov (United States)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal

Direct imaging of grain boundaries

International Nuclear Information System (INIS)

Gronsky, R.

1979-09-01

There are currently two types of microscopes which, in principle, are capable of imaging atom positions at grain boundaries. One, the field ion microscope (FIM), yields a projection of the specimen surface (approximately stereographic) by field ionization of an imaging gas at protruding atom sites, and provides topographic information in high-index pole regions which may be interpreted atom-by-atom. The other, a transmission electron microscope (TEM), yields a projection (approximately linear) of the entire specimen thickness by electron optical imaging, and provides atomic resolution detail throughout the illuminated area. In this paper, both methods are described and compared, using examples from practical materials systems

Moessbauer study of solute interactions with the lattice defect and grain boundary

International Nuclear Information System (INIS)

Ishida, Y.

1979-10-01

Moessbauer effect was used in the investigations of defect structures of Al- 57 Co alloys introduced by electron irradiation and grain boundary embrittlement in binary iron alloys containing sup(119m)Sn nuclei. The behaviour of tin during aging of Al-Cu-Sn alloys was examined by Moessbauer spectra during isothermal annealing of the samples at various temperatures. Similar investigations were conducted for polycrystalline and bicrystalline silver foils containing sup(119m)Sn sandwiched in the boundary. The binding state of tin atoms segregated at the grain boundary of fine grained iron and iron alloys provided the clues for the embrittlement of iron alloys. The inhibiting effect of Ti, V, and Mo can be explained by the usurpation of the electrons in the tin atoms to the 3d shell of iron. Moessbauer effect was extensively applied in studying the aging behaviour of aluminium alloys in quenching, ion-implantation and electron irradiation processes

The vibrational spectrum of the atoms in the grain boundaries of nanocrystalline Pd

Energy Technology Data Exchange (ETDEWEB)

Stuhr, U. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Wipf, H.; Hahn, H. [Technische Hochschule Darmstadt (Germany); Natter, H.; Hemperlmann, R. [Universitaet des Saarlandes, Saarbruecken (Germany); Andersen, K. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

1997-09-01

The vibrational excitations of the atoms in nanocrystalline Pd was investigated by neutron-time-of-flight spectroscopy. Hydrogen was used as a probe for the vibrations in the grain boundaries. The separation between the H and Pd vibrations was done by spin analysis. The results show that in the grain boundary the density of states of low energy excitations ({<=}5 meV) is drastically increased. (author) 3 figs., 3 refs.

Imaging of magnetic flux states in YBa2Cu3O7-δ grain boundary junctions

International Nuclear Information System (INIS)

Mayer, B.; Shen, Y.; Vase, P.

1993-01-01

The weak link behavior of grain boundaries in the high temperature superconductors has been studied intensively during the last years. On the one hand the weak link nature of the grain boundaries is responsible for the disappointingly low critical current densities in polycrystalline materials. However, on the other hand it offers the possibility to fabricate Josephson elements required for microelectronic applications of the cuprate superconductors. Although various types of artificially generated, so-called engineered grain boundary Josephson junctions (GBJs) have been fabricated and characterized with respect to their structural and electrical properties there are still open questions concerning the weak link nature of high-T c GBJs. As a consequence of the weak link nature the supercurrent density of the GBJs should be spatially modulated, if magnetic flux is coupled into the grain boundary by a magnetic field applied parallel to the grain boundary plane. We report on direct measurements of the spatially modulated supercurrent density in YBa 2 Cu 3 O 7-δ bicrystal GBJs using Low Temperature Scanning Electron Microscopy (LTSEM). The LTSEM images directly show the spatial oscillation of the supercurrent density J s along the grain boundary with a resolution of about 1 μm. Varying the applied magnetic field different magnetic flux states containing up to 10 Josephson vortices could be observed. (orig.)