Conjugated π electron engineering of generalized stacking fault in graphene and h-BN

NASA Astrophysics Data System (ADS)

Ouyang, Bin; Chen, Cheng; Song, J.

2018-03-01

Generalized-stacking-fault energy (GSFE) serves as an important metric that prescribes dislocation behaviors in materials. In this paper, utilizing first-principle calculations and chemical bonding analysis, we studied the behaviors of generalized stacking fault in graphene and h-BN. It has been shown that the π bond formation plays a critical role in the existence of metastable stacking fault (MSF) in graphene and h-BN lattice along certain slip directions. Chemical functionalization was then proposed as an effective means to engineer the π bond, and subsequently MSF along dislocation slips within graphene and h-BN. Taking hydrogenation as a representative functionalization method, we demonstrated that, with the preferential adsorption of hydrogen along the slip line, π electrons along the slip would be saturated by adsorbed hydrogen atoms, leading to the moderation or elimination of MSF. Our study elucidates the atomic mechanism of MSF formation in graphene-like materials, and more generally, provides important insights towards predictive tuning of mechanic properties in two-dimensional nanomaterials.

Injected carrier concentration dependence of the expansion of single Shockley-type stacking faults in 4H-SiC PiN diodes

NASA Astrophysics Data System (ADS)

Tawara, T.; Matsunaga, S.; Fujimoto, T.; Ryo, M.; Miyazato, M.; Miyazawa, T.; Takenaka, K.; Miyajima, M.; Otsuki, A.; Yonezawa, Y.; Kato, T.; Okumura, H.; Kimoto, T.; Tsuchida, H.

2018-01-01

We investigated the relationship between the dislocation velocity and the injected carrier concentration on the expansion of single Shockley-type stacking faults by monitoring the electroluminescence from 4H-SiC PiN diodes with various anode Al concentrations. The injected carrier concentration was calculated using a device simulation that took into account the measured accumulated charge in the drift layer during diode turn-off. The dislocation velocity was strongly dependent on the injected hole concentration, which represents the excess carrier concentration. The activation energy of the dislocation velocity was quite small (below 0.001 eV between 310 and 386 K) over a fixed range of hole concentrations. The average threshold hole concentration required for the expansion of bar-shaped single Shockley-type stacking faults at the interface between the buffer layer and the substrate was determined to be 1.6-2.5 × 1016 cm-3 for diodes with a p-type epitaxial anode with various Al concentrations.

Dislocation creation and void nucleation in FCC ductile metals under tensile loading: a general microscopic picture.

PubMed

Pang, Wei-Wei; Zhang, Ping; Zhang, Guang-Cai; Xu, Ai-Guo; Zhao, Xian-Geng

2014-11-10

Numerous theoretical and experimental efforts have been paid to describe and understand the dislocation and void nucleation processes that are fundamental for dynamic fracture modeling of strained metals. To date an essential physical picture on the self-organized atomic collective motions during dislocation creation, as well as the essential mechanisms for the void nucleation obscured by the extreme diversity in structural configurations around the void nucleation core, is still severely lacking in literature. Here, we depict the origin of dislocation creation and void nucleation during uniaxial high strain rate tensile processes in face-centered-cubic (FCC) ductile metals. We find that the dislocations are created through three distinguished stages: (i) Flattened octahedral structures (FOSs) are randomly activated by thermal fluctuations; (ii) The double-layer defect clusters are formed by self-organized stacking of FOSs on the close-packed plane; (iii) The stacking faults are formed and the Shockley partial dislocations are created from the double-layer defect clusters. Whereas, the void nucleation is shown to follow a two-stage description. We demonstrate that our findings on the origin of dislocation creation and void nucleation are universal for a variety of FCC ductile metals with low stacking fault energies.

A method to determine fault vectors in 4H-SiC from stacking sequences observed on high resolution transmission electron microscopy images

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

Wu, Fangzhen; Wang, Huanhuan; Raghothamachar, Balaji

A new method has been developed to determine the fault vectors associated with stacking faults in 4H-SiC from their stacking sequences observed on high resolution TEM images. This method, analogous to the Burgers circuit technique for determination of dislocation Burgers vector, involves determination of the vectors required in the projection of the perfect lattice to correct the deviated path constructed in the faulted material. Results for several different stacking faults were compared with fault vectors determined from X-ray topographic contrast analysis and were found to be consistent. This technique is expected to applicable to all structures comprising corner shared tetrahedra.

Novel Cross-Slip Mechanism of Pyramidal Screw Dislocations in Magnesium.

PubMed

Itakura, Mitsuhiro; Kaburaki, Hideo; Yamaguchi, Masatake; Tsuru, Tomohito

2016-06-03

Compared to cubic metals, whose primary slip mode includes twelve equivalent systems, the lower crystalline symmetry of hexagonal close-packed metals results in a reduced number of equivalent primary slips and anisotropy in plasticity, leading to brittleness at the ambient temperature. At higher temperatures, the ductility of hexagonal close-packed metals improves owing to the activation of secondary ⟨c+a⟩ pyramidal slip systems. Thus, understanding the fundamental properties of corresponding dislocations is essential for the improvement of ductility at the ambient temperature. Here, we present the results of large-scale ab initio calculations for ⟨c+a⟩ pyramidal screw dislocations in magnesium and show that their slip behavior is a stark counterexample to the conventional wisdom that a slip plane is determined by the stacking fault plane of dislocations. A stacking fault between dissociated partial dislocations can assume a nonplanar shape with a negligible energy cost and can migrate normal to its plane by a local shuffling of atoms. Partial dislocations dissociated on a {21[over ¯]1[over ¯]2} plane "slither" in the {011[over ¯]1} plane, dragging the stacking fault with them in response to an applied shear stress. This finding resolves the apparent discrepancy that both {21[over ¯]1[over ¯]2} and {011[over ¯]1} slip traces are observed in experiments while ab initio calculations indicate that dislocations preferably dissociate in the {21[over ¯]1[over ¯]2} planes.

The core structure and recombination energy of a copper screw dislocation: a Peierls study

NASA Astrophysics Data System (ADS)

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

2017-09-01

The recombination process of dislocations is central to cross-slip, and transmission through ?3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. We apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed ?-surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress, the two partial dislocations coalesce to a separation of ??. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (?) and the intrinsic stacking fault energy (?-?). We report recombination energies of ?W = 0.168 eV/Å and ?W = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. We develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.

Dislocation creation and void nucleation in FCC ductile metals under tensile loading: A general microscopic picture

PubMed Central

Pang, Wei-Wei; Zhang, Ping; Zhang, Guang-Cai; Xu, Ai-Guo; Zhao, Xian-Geng

2014-01-01

Numerous theoretical and experimental efforts have been paid to describe and understand the dislocation and void nucleation processes that are fundamental for dynamic fracture modeling of strained metals. To date an essential physical picture on the self-organized atomic collective motions during dislocation creation, as well as the essential mechanisms for the void nucleation obscured by the extreme diversity in structural configurations around the void nucleation core, is still severely lacking in literature. Here, we depict the origin of dislocation creation and void nucleation during uniaxial high strain rate tensile processes in face-centered-cubic (FCC) ductile metals. We find that the dislocations are created through three distinguished stages: (i) Flattened octahedral structures (FOSs) are randomly activated by thermal fluctuations; (ii) The double-layer defect clusters are formed by self-organized stacking of FOSs on the close-packed plane; (iii) The stacking faults are formed and the Shockley partial dislocations are created from the double-layer defect clusters. Whereas, the void nucleation is shown to follow a two-stage description. We demonstrate that our findings on the origin of dislocation creation and void nucleation are universal for a variety of FCC ductile metals with low stacking fault energies. PMID:25382029

Stacking fault-mediated ultrastrong nanocrystalline Ti thin films

NASA Astrophysics Data System (ADS)

Wu, K.; Zhang, J. Y.; Li, G.; Wang, Y. Q.; Cui, J. C.; Liu, G.; Sun, J.

2017-11-01

In this work, we prepared nanocrystalline (NC) Ti thin films with abundant stacking faults (SFs), which were created via partial dislocations emitted from grain boundaries and which were insensitive to grain sizes. By employing the nanoindentation test, we investigated the effects of SFs and grain sizes on the strength of NC Ti films at room temperature. The high density of SFs significantly strengthens NC Ti films, via dislocation-SF interactions associated with the reported highest Hall-Petch slope of ˜20 GPa nm1/2, to an ultrahigh strength of ˜4.4 GPa, approaching ˜50% of its ideal strength.

X-ray diffuse scattering study of the kinetics of stacking fault growth and annihilation in boron-implanted silicon

NASA Astrophysics Data System (ADS)

Luebbert, D.; Arthur, J.; Sztucki, M.; Metzger, T. H.; Griffin, P. B.; Patel, J. R.

2002-10-01

Stacking faults in boron-implanted silicon give rise to streaks or rods of scattered x-ray intensity normal to the stacking fault plane. We have used the diffuse scattering rods to follow the growth of faults as a function of time when boron-implanted silicon is annealed in the range of 925 to 1025 degC. From the growth kinetics we obtain an activation energy for interstitial migration in silicon: EI=1.98plus-or-minus0.06 eV. Fault intensity and size versus time results indicate that faults do not shrink and disappear, but rather are annihilated by a dislocation reaction mechanism.

Solute effect on basal and prismatic slip systems of Mg.

PubMed

Moitra, Amitava; Kim, Seong-Gon; Horstemeyer, M F

2014-11-05

In an effort to design novel magnesium (Mg) alloys with high ductility, we present a first principles data based on the Density Functional Theory (DFT). The DFT was employed to calculate the generalized stacking fault energy curves, which can be used in the generalized Peierls-Nabarro (PN) model to study the energetics of basal slip and prismatic slip in Mg with and without solutes to calculate continuum scale dislocation core widths, stacking fault widths and Peierls stresses. The generalized stacking fault energy curves for pure Mg agreed well with other DFT calculations. Solute effects on these curves were calculated for nine alloying elements, namely Al, Ca, Ce, Gd, Li, Si, Sn, Zn and Zr, which allowed the strength and ductility to be qualitatively estimated based on the basal dislocation properties. Based on our multiscale methodology, a suggestion has been made to improve Mg formability.

Revisiting the Al/Al₂O₃ interface: coherent interfaces and misfit accommodation.

PubMed

Pilania, Ghanshyam; Thijsse, Barend J; Hoagland, Richard G; Lazić, Ivan; Valone, Steven M; Liu, Xiang-Yang

2014-03-27

We study the coherent and semi-coherent Al/α-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions at the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. Our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al2O3 composite heterostructures.

The core structure and recombination energy of a copper screw dislocation: a Peierls study

DOE PAGES

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

2017-05-19

The recombination process of dislocations is central to cross-slip, and transmission through Σ3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. In this paper, we apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed -surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress,more » the two partial dislocations coalesce to a separation of ~|b|. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (γτ) and the intrinsic stacking fault energy (γτ-γisf). We report recombination energies of ΔW = 0.168 eV/Å and ΔW = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. Finally, we develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.« less

The core structure and recombination energy of a copper screw dislocation: a Peierls study

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

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

The recombination process of dislocations is central to cross-slip, and transmission through Σ3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. In this paper, we apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed -surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress,more » the two partial dislocations coalesce to a separation of ~|b|. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (γτ) and the intrinsic stacking fault energy (γτ-γisf). We report recombination energies of ΔW = 0.168 eV/Å and ΔW = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. Finally, we develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.« less

Crystal structure of stacking faults in InGaAs/InAlAs/InAs heterostructures

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

Trunkin, I. N.; Presniakov, M. Yu.; Vasiliev, A. L., E-mail: a.vasiliev56@gmail.com

Stacking faults and dislocations in InGaAs/InAlAs/InAs heterostructures have been studied by electron microscopy. The use of different techniques of transmission electron microscopy (primarily, highresolution dark-field scanning transmission electron microscopy) has made it possible to determine the defect structure at the atomic level.

The effects of intrinsic properties and defect structures on the indentation size effect in metals

NASA Astrophysics Data System (ADS)

Maughan, Michael R.; Leonard, Ariel A.; Stauffer, Douglas D.; Bahr, David F.

2017-08-01

The indentation size effect has been linked to the generation of geometrically necessary dislocations that may be impacted by intrinsic materials properties, such as stacking fault energy, and extrinsic defects, such as statistically stored dislocations. Nanoindentation was carried out at room temperature and elevated temperatures on four different metals in a variety of microstructural conditions. A size effect parameter was determined for each material set combining the effects of temperature and existing dislocation structure. Extrinsic defects, particularly dislocation density, dominate the size effect parameter over those due to intrinsic properties such as stacking fault energy. A multi-mechanism description using a series of mechanisms, rather than a single mechanism, is presented as a phenomenological explanation for the observed size effect in these materials. In this description, the size effect begins with a volume scale dominated by sparse sources, next is controlled by the ability of dislocations to cross-slip and multiply, and then finally at larger length scales work hardening and recovery dominate the effect.

Characterization of V-shaped defects in 4H-SiC homoepitaxial layers

DOE PAGES

Zhang, Lihua; Su, Dong; Kisslinger, Kim; ...

2014-12-04

Synchrotron white beam x-ray topography images show that faint needle-like surface morphological features observed on the Si-face of 4H-SiC homoepitaxial layers using Nomarski optical microscopy are associated with V shaped stacking faults in the epilayer. KOH etching of the V shaped defect reveals small oval pits connected by a shallow line which corresponding to the surface intersections of two partial dislocations and the stacking fault connecting them. Transmission electron microscopy (TEM) specimens from regions containing the V shaped defects were prepared using focused ion beam milling, and stacking sequences of (85), (50) and (63) are observed at the faulted regionmore » with high resolution TEM. In order to study the formation mechanism of V shaped defect, low dislocation density 4H-SiC substrates were chosen for epitaxial growth, and the corresponding regions before and after epitaxy growth are compared in SWBXT images. It is found that no defects in the substrate are directly associated with the formation of the V shaped defect. Simulation results of the contrast from the two partial dislocations associated with V shaped defect in synchrotron monochromatic beam x-ray topography reveals the opposite sign nature of their Burgers vectors. Therefore, a mechanism of 2D nucleation during epitaxy growth is postulated for the formation of the V shaped defect, which requires elimination of non-sequential 1/4[0001] bilayers from the original structure to create the observed faulted stacking sequence.« less

Characterization of V-shaped defects in 4H-SiC homoepitaxial layers

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

Zhang, Lihua; Su, Dong; Kisslinger, Kim

Synchrotron white beam x-ray topography images show that faint needle-like surface morphological features observed on the Si-face of 4H-SiC homoepitaxial layers using Nomarski optical microscopy are associated with V shaped stacking faults in the epilayer. KOH etching of the V shaped defect reveals small oval pits connected by a shallow line which corresponding to the surface intersections of two partial dislocations and the stacking fault connecting them. Transmission electron microscopy (TEM) specimens from regions containing the V shaped defects were prepared using focused ion beam milling, and stacking sequences of (85), (50) and (63) are observed at the faulted regionmore » with high resolution TEM. In order to study the formation mechanism of V shaped defect, low dislocation density 4H-SiC substrates were chosen for epitaxial growth, and the corresponding regions before and after epitaxy growth are compared in SWBXT images. It is found that no defects in the substrate are directly associated with the formation of the V shaped defect. Simulation results of the contrast from the two partial dislocations associated with V shaped defect in synchrotron monochromatic beam x-ray topography reveals the opposite sign nature of their Burgers vectors. Therefore, a mechanism of 2D nucleation during epitaxy growth is postulated for the formation of the V shaped defect, which requires elimination of non-sequential 1/4[0001] bilayers from the original structure to create the observed faulted stacking sequence.« less

Zn-dopant dependent defect evolution in GaN nanowires

NASA Astrophysics Data System (ADS)

Yang, Bing; Liu, Baodan; Wang, Yujia; Zhuang, Hao; Liu, Qingyun; Yuan, Fang; Jiang, Xin

2015-10-01

Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanowires show a hexagonal wurtzite (WZ) structure with good crystallinity. Several kinds of twin boundaries, including (101&cmb.macr;3), (101&cmb.macr;1) and (202&cmb.macr;1), as well as Type I stacking faults (...ABABC&cmb.b.line;BCB...), are observed in the nanowires. The increasing Zn doping level (<1 at%) induces the formation of screw dislocations featuring a predominant screw component along the radial direction of the GaN nanowires. At high Zn doping level (3-5 at%), meta-stable cubic zinc blende (ZB) domains are generated in the WZ GaN nanowires. The WZ/ZB phase boundary (...ABABAC&cmb.b.line;BA...) can be identified as Type II stacking faults. The density of stacking faults (both Type I and Type II) increases with increasing the Zn doping levels, which in turn leads to a rough-surface morphology in the GaN nanowires. First-principles calculations reveal that Zn doping will reduce the formation energy of both Type I and Type II stacking faults, favoring their nucleation in GaN nanowires. An understanding of the effect of Zn doping on the defect evolution provides an important method to control the microstructure and the electrical properties of p-type GaN nanowires.Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanowires show a hexagonal wurtzite (WZ) structure with good crystallinity. Several kinds of twin boundaries, including (101&cmb.macr;3), (101&cmb.macr;1) and (202&cmb.macr;1), as well as Type I stacking faults (...ABABC&cmb.b.line;BCB...), are observed in the nanowires. The increasing Zn doping level (<1 at%) induces the formation of screw dislocations featuring a predominant screw component along the radial direction of the GaN nanowires. At high Zn doping level (3-5 at%), meta-stable cubic zinc blende (ZB) domains are generated in the WZ GaN nanowires. The WZ/ZB phase boundary (...ABABAC&cmb.b.line;BA...) can be identified as Type II stacking faults. The density of stacking faults (both Type I and Type II) increases with increasing the Zn doping levels, which in turn leads to a rough-surface morphology in the GaN nanowires. First-principles calculations reveal that Zn doping will reduce the formation energy of both Type I and Type II stacking faults, favoring their nucleation in GaN nanowires. An understanding of the effect of Zn doping on the defect evolution provides an important method to control the microstructure and the electrical properties of p-type GaN nanowires. Electronic supplementary information (ESI) available: HRTEM image of undoped GaN nanowires and first-principles calculations of Zn doped WZ-GaN. See DOI: 10.1039/c5nr04771d

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

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

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

DOE PAGES

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.; ...

2014-03-27

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

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

Martínez, Enrique; Uberuaga, Blas P.

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

DOE PAGES

Martínez, Enrique; Uberuaga, Blas P.

2015-03-13

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

PubMed Central

Martínez, Enrique; Uberuaga, Blas P.

2015-01-01

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs can diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects. PMID:25765711

Zn-dopant dependent defect evolution in GaN nanowires.

PubMed

Yang, Bing; Liu, Baodan; Wang, Yujia; Zhuang, Hao; Liu, Qingyun; Yuan, Fang; Jiang, Xin

2015-10-21

Zn doped GaN nanowires with different doping levels (0, <1 at%, and 3-5 at%) have been synthesized through a chemical vapor deposition (CVD) process. The effect of Zn doping on the defect evolution, including stacking fault, dislocation, twin boundary and phase boundary, has been systematically investigated by transmission electron microscopy and first-principles calculations. Undoped GaN nanowires show a hexagonal wurtzite (WZ) structure with good crystallinity. Several kinds of twin boundaries, including (101¯3), (101¯1) and (202¯1), as well as Type I stacking faults (…ABABCBCB…), are observed in the nanowires. The increasing Zn doping level (<1 at%) induces the formation of screw dislocations featuring a predominant screw component along the radial direction of the GaN nanowires. At high Zn doping level (3-5 at%), meta-stable cubic zinc blende (ZB) domains are generated in the WZ GaN nanowires. The WZ/ZB phase boundary (…ABABACBA…) can be identified as Type II stacking faults. The density of stacking faults (both Type I and Type II) increases with increasing the Zn doping levels, which in turn leads to a rough-surface morphology in the GaN nanowires. First-principles calculations reveal that Zn doping will reduce the formation energy of both Type I and Type II stacking faults, favoring their nucleation in GaN nanowires. An understanding of the effect of Zn doping on the defect evolution provides an important method to control the microstructure and the electrical properties of p-type GaN nanowires.

Characterization of double Shockley-type stacking faults formed in lightly doped 4H-SiC epitaxial films

NASA Astrophysics Data System (ADS)

Yamashita, T.; Hayashi, S.; Naijo, T.; Momose, K.; Osawa, H.; Senzaki, J.; Kojima, K.; Kato, T.; Okumura, H.

2018-05-01

Double Shockley-type stacking faults (2SSFs) formed in 4H-SiC epitaxial films with a dopant concentration of 1.0 × 1016 cm-3 were characterized using grazing incident X-ray topography and high-resolution scanning transmission electron microscopy. The origins of 2SSFs were investigated, and it was found that 2SSFs in the epitaxial layer originated from narrow SFs with a double Shockley structure in the substrate. Partial dislocations formed between 4H-type and 2SSF were also characterized. The shapes of 2SSFs are related with Burgers vectors and core types of the two Shockley partial dislocations.

Replace with abstract title

NASA Astrophysics Data System (ADS)

Coho, Aleksander; Kioussis, Nicholas

2003-03-01

We use the semidiscrete variational generelized Peierls-Nabarro model to study the effect of Cu alloying on the dislocation properties of Al. First-principles density functional theory (DFT) is used to calculate the generalized-stacking-fault (GSF) energy surface when a <111> plane, on which one in four Al atoms has been replaced with a Cu atom, slips over a pure Al <111> plane. Various dislocation core properties (core width, energy, Peierls stress, dissociation tendency) are investigated and compared with the pure Al case. Cu alloying lowers the intrinsic stacking fault (ISF) energy, which makes dislocations more likely to dissociate into partials. We also try to understand the lowering of ISF energy in terms of Al-Cu and Al-Al bond formation and braking during shearing along the <112> direction. From the above we draw conclusions about the effects of Cu alloying on the mechanical properties of Al.

Domain wall pinning on strain relaxation defects (stacking faults) in nanoscale FePd (001)/MgO thin films

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

Hsiao, C. H.; Ouyang, Chuenhou, E-mail: wei0208@gmail.com, E-mail: houyang@mx.nthu.edu.tw; Yao, Y. D.

FePd (001) films, prepared by an electron beam deposition system on MgO(100), exhibit a perpendicular magnetic anisotropy (1.7 × 10{sup 7 }erg/cc) with a high order parameter (0.92). The relation between stacking faults induced by the strain relaxation, which act as strong domain wall pinning sites, and the perpendicular coercivity of (001) oriented L1{sub 0} FePd films prepared at different temperatures have been investigated. Perpendicular coercivity can be apparently enhanced by raising the stacking fault densities, which can be elevated by climbing dissociation of total dislocation. The increased stacking fault densities (1.22 nm{sup −2}) with large perpendicular coercivity (6000 Oe) are obtained for samples preparedmore » at 650 °C. This present work shows through controlling stacking fault density in FePd film, the coercivity can be manipulated, which can be applied in future magnetic devices.« less

Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation.

PubMed

Yamakov, V; Wolf, D; Phillpot, S R; Mukherjee, A K; Gleiter, H

2004-01-01

Molecular-dynamics simulations have recently been used to elucidate the transition with decreasing grain size from a dislocation-based to a grain-boundary-based deformation mechanism in nanocrystalline f.c.c. metals. This transition in the deformation mechanism results in a maximum yield strength at a grain size (the 'strongest size') that depends strongly on the stacking-fault energy, the elastic properties of the metal, and the magnitude of the applied stress. Here, by exploring the role of the stacking-fault energy in this crossover, we elucidate how the size of the extended dislocations nucleated from the grain boundaries affects the mechanical behaviour. Building on the fundamental physics of deformation as exposed by these simulations, we propose a two-dimensional stress-grain size deformation-mechanism map for the mechanical behaviour of nanocrystalline f.c.c. metals at low temperature. The map captures this transition in both the deformation mechanism and the related mechanical behaviour with decreasing grain size, as well as its dependence on the stacking-fault energy, the elastic properties of the material, and the applied stress level.

In situ nanoindentation study on plasticity and work hardening in aluminium with incoherent twin boundaries.

PubMed

Bufford, D; Liu, Y; Wang, J; Wang, H; Zhang, X

2014-09-10

Nanotwinned metals have been the focus of intense research recently, as twin boundaries may greatly enhance mechanical strength, while maintaining good ductility, electrical conductivity and thermal stability. Most prior studies have focused on low stacking-fault energy nanotwinned metals with coherent twin boundaries. In contrast, the plasticity of twinned high stacking-fault energy metals, such as aluminium with incoherent twin boundaries, has not been investigated. Here we report high work hardening capacity and plasticity in highly twinned aluminium containing abundant Σ3{112} incoherent twin boundaries based on in situ nanoindentation studies in a transmission electron microscope and corresponding molecular dynamics simulations. The simulations also reveal drastic differences in deformation mechanisms between nanotwinned copper and twinned aluminium ascribed to stacking-fault energy controlled dislocation-incoherent twin boundary interactions. This study provides new insight into incoherent twin boundary-dominated plasticity in high stacking-fault energy twinned metals.

Stacking fault energies and slip in nanocrystalline metals.

PubMed

Van Swygenhoven, H; Derlet, P M; Frøseth, A G

2004-06-01

The search for deformation mechanisms in nanocrystalline metals has profited from the use of molecular dynamics calculations. These simulations have revealed two possible mechanisms; grain boundary accommodation, and intragranular slip involving dislocation emission and absorption at grain boundaries. But the precise nature of the slip mechanism is the subject of considerable debate, and the limitations of the simulation technique need to be taken into consideration. Here we show, using molecular dynamics simulations, that the nature of slip in nanocrystalline metals cannot be described in terms of the absolute value of the stacking fault energy-a correct interpretation requires the generalized stacking fault energy curve, involving both stable and unstable stacking fault energies. The molecular dynamics technique does not at present allow for the determination of rate-limiting processes, so the use of our calculations in the interpretation of experiments has to be undertaken with care.

Dislocation core structures of tungsten with dilute solute hydrogen

NASA Astrophysics Data System (ADS)

Wang, Yinan; Li, Qiulin; Li, Chengliang; Shu, Guogang; Xu, Ben; Liu, Wei

2017-12-01

In this paper, a combination of quantum mechanical and interatomic potential-based atomistic calculations are used to predict the core structures of screw and edge dislocations in tungsten in the presence of a particular concentration of hydrogen atoms. These configurations of the core structures are the results of two competing energies: the interaction between the partial dislocations and the corresponding generalized stacking fault energy in between the two partial dislocations, which are presented in this work. With this, we can precisely predict the configurations of the hydrogen-doped dislocation core structures.

Plasticity mechanisms in HfN at elevated and room temperature.

PubMed

Vinson, Katherine; Yu, Xiao-Xiang; De Leon, Nicholas; Weinberger, Christopher R; Thompson, Gregory B

2016-10-06

HfN specimens deformed via four-point bend tests at room temperature and at 2300 °C (~0.7 T m ) showed increased plasticity response with temperature. Dynamic diffraction via transmission electron microscopy (TEM) revealed ⟨110⟩{111} as the primary slip system in both temperature regimes and ⟨110⟩{110} to be a secondary slip system activated at elevated temperature. Dislocation line lengths changed from a primarily linear to a curved morphology with increasing temperature suggestive of increased dislocation mobility being responsible for the brittle to ductile temperature transition. First principle generalized stacking fault energy calculations revealed an intrinsic stacking fault (ISF) along ⟨112⟩{111}, which is the partial dislocation direction for slip on these close packed planes. Though B1 structures, such as NaCl and HfC predominately slip on ⟨110⟩{110}, the ISF here is believed to facilitate slip on the {111} planes for this B1 HfN phase.

Temperature-dependent ideal strength and stacking fault energy of fcc Ni: a first-principles study of shear deformation.

PubMed

Shang, S L; Wang, W Y; Wang, Y; Du, Y; Zhang, J X; Patel, A D; Liu, Z K

2012-04-18

Variations of energy, stress, and magnetic moment of fcc Ni as a response to shear deformation and the associated ideal shear strength (τ(IS)), intrinsic (γ(SF)) and unstable (γ(US)) stacking fault energies have been studied in terms of first-principles calculations under both the alias and affine shear regimes within the {111} slip plane along the <112> and <110> directions. It is found that (i) the intrinsic stacking fault energy γ(SF) is nearly independent of the shear deformation regimes used, albeit a slightly smaller value is predicted by pure shear (with relaxation) compared to the one from simple shear (without relaxation); (ii) the minimum ideal shear strength τ(IS) is obtained by pure alias shear of {111}<112>; and (iii) the dissociation of the 1/2[110] dislocation into two partial Shockley dislocations (1/6[211] + 1/6[121]) is observed under pure alias shear of {111}<110>. Based on the quasiharmonic approach from first-principles phonon calculations, the predicted γ(SF) has been extended to finite temperatures. In particular, using a proposed quasistatic approach on the basis of the predicted volume versus temperature relation, the temperature dependence of τ(IS) is also obtained. Both the γ(SF) and the τ(IS) of fcc Ni decrease with increasing temperature. The computed ideal shear strengths as well as the intrinsic and unstable stacking fault energies are in favorable accord with experiments and other predictions in the literature.

Evolution of stacking fault tetrahedral and work hardening effect in copper single crystals

NASA Astrophysics Data System (ADS)

Liu, Hai Tao; Zhu, Xiu Fu; Sun, Ya Zhou; Xie, Wen Kun

2017-11-01

Stacking fault tetrahedral (SFT), generated in machining of copper single crystal as one type of subsurface defects, has significant influence on the performance of workpiece. In this study, molecular dynamics (MD) simulation is used to investigate the evolution of stacking fault tetrahedral in nano-cutting of copper single crystal. The result shows that SFT is nucleated at the intersection of differently oriented stacking fault (SF) planes and SFT evolves from the preform only containing incomplete surfaces into a solid defect. The evolution of SFT contains several stress fluctuations until the complete formation. Nano-indentation simulation is then employed on the machined workpiece from nano-cutting, through which the interaction between SFT and later-formed dislocations in subsurface is studied. In the meanwhile, force-depth curves obtained from nano-indentation on pristine and machined workpieces are compared to analyze the mechanical properties. By simulation of nano-cutting and nano-indentation, it is verified that SFT is a reason of the work hardening effect.

Shear response of Σ3{112} twin boundaries in face-centered-cubic metals

NASA Astrophysics Data System (ADS)

Wang, J.; Misra, A.; Hirth, J. P.

2011-02-01

Molecular statics and dynamics simulations were used to study the mechanisms of sliding and migration of Σ3{112} incoherent twin boundaries (ITBs) under applied shear acting in the boundary in the face-centered-cubic (fcc) metals, Ag, Cu, Pd, and Al, of varying stacking fault energies. These studies revealed that (i) ITBs can dissociate into two phase boundaries (PBs), bounding the hexagonal 9R phase, that contain different arrays of partial dislocations; (ii) the separation distance between the two PBs scales inversely with increasing stacking fault energy; (iii) for fcc metals with low stacking fault energy, one of the two PBs migrates through the collective glide of partials, referred to as the phase-boundary-migration (PBM) mechanism; (iv) for metals with high stacking energy, ITBs experience a coupled motion (migration and sliding) through the glide of interface disconnections, referred to as the interface-disconnection-glide (IDG) mechanism.

Temperature-dependent stability of stacking faults in Al, Cu and Ni: first-principles analysis.

PubMed

Bhogra, Meha; Ramamurty, U; Waghmare, Umesh V

2014-09-24

We present comparative analysis of microscopic mechanisms relevant to plastic deformation of the face-centered cubic (FCC) metals Al, Cu, and Ni, through determination of the temperature-dependent free energies of intrinsic and unstable stacking faults along [1 1̄ 0] and [1 2̄ 1] on the (1 1 1) plane using first-principles density-functional-theory-based calculations. We show that vibrational contribution results in significant decrease in the free energy of barriers and intrinsic stacking faults (ISFs) of Al, Cu, and Ni with temperature, confirming an important role of thermal fluctuations in the stability of stacking faults (SFs) and deformation at elevated temperatures. In contrast to Al and Ni, the vibrational spectrum of the unstable stacking fault (USF[1 2̄ 1]) in Cu reveals structural instabilities, indicating that the energy barrier (γusf) along the (1 1 1)[1 2̄ 1] slip system in Cu, determined by typical first-principles calculations, is an overestimate, and its commonly used interpretation as the energy release rate needed for dislocation nucleation, as proposed by Rice (1992 J. Mech. Phys. Solids 40 239), should be taken with caution.

Experimental and computational studies on stacking faults in zinc titanate

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

Sun, W.; Ageh, V.; Mohseni, H.

Zinc titanate (ZnTiO{sub 3}) thin films grown by atomic layer deposition with ilmenite structure have recently been identified as an excellent solid lubricant, where low interfacial shear and friction are achieved due to intrafilm shear velocity accommodation in sliding contacts. In this Letter, high resolution transmission electron microscopy with electron diffraction revealed that extensive stacking faults are present on ZnTiO{sub 3} textured (104) planes. These growth stacking faults serve as a pathway for dislocations to glide parallel to the sliding direction and hence achieve low interfacial shear/friction. Generalized stacking fault energy plots also known as γ-surfaces were computed for themore » (104) surface of ZnTiO{sub 3} using energy minimization method with classical effective partial charge potential and verified by using density functional theory first principles calculations for stacking fault energies along certain directions. These two are in qualitative agreement but classical simulations generally overestimate the energies. In addition, the lowest energy path was determined to be along the [451{sup ¯}] direction and the most favorable glide system is (104) 〈451{sup ¯}〉 that is responsible for the experimentally observed sliding-induced ductility.« less

The key role of dislocation dissociation in the plastic behaviour of single crystal nickel-based superalloy with low stacking fault energy: Three-dimensional discrete dislocation dynamics modelling

NASA Astrophysics Data System (ADS)

Huang, Minsheng; Li, Zhenhuan

2013-12-01

To model the deformation of single crystal nickel based superalloys (SCNBS) with low stacking fault energy (SFE), three-dimensional discrete dislocation dynamics (3D-DDD) is extended by incorporating dislocation dissociation mechanism. The present 3D-DDD simulations show that, consistent with the existing TEM observation, the leading partial can enter the matrix channel efficiently while the trailing partial can hardly glide into it when the dislocation dissociation is taken into account. To determine whether the dislocation dissociation can occur or not, a critical percolation stress (CPS) based criterion is suggested. According to this CPS criterion, for SCNBS there exists a critical matrix channel width. When the channel width is lower than this critical value, the dislocation tends to dissociate into an extended configuration and vice versa. To clarify the influence of dislocation dissociation on CPS, the classical Orowan formula is improved by incorporating the SFE. Moreover, the present 3D-DDD simulations also show that the yielding stress of SCNBSs with low SFE may be overestimated up to 30% if the dislocation dissociation is ignored. With dislocation dissociation being considered, the size effect due to the width of γ matrix channel and the length of γ‧ precipitates on the stress-strain responses of SCNBS can be enhanced remarkably. In addition, due to the strong constraint effect by the two-phase microstructure in SCNBS, the configuration of formed junctions is quite different from that in single phase crystals such as Cu. The present results not only provide clear understanding of the two-phase microstructure levelled microplastic mechanisms in SCNBSs with low SFE, but also help to develop new continuum-levelled constitutive laws for SCNBSs.

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

PubMed

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

2015-06-01

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

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

PubMed Central

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

2015-01-01

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

High-resolution transmission electron microscopy of hexagonal and rhombohedral molybdenum disulfide crystals.

PubMed

Isshiki, T; Nishio, K; Saijo, H; Shiojiri, M; Yabuuchi, Y; Takahashi, N

1993-07-01

Natural (molybdenite) and synthesized molybdenum disulfide crystals have been studied by high-resolution transmission electron microscopy. The image simulation demonstrates that the [0001] and [0110] HRTEM images of hexagonal and rhombohedral MoS2 crystals hardly disclose their stacking sequences, and that the [2110] images can distinguish the Mo and S columns along the incident electron beam and enable one to determine not only the crystal structure but also the fault structure. Observed [0001] images of cleaved molybdenite and synthesized MoS2 crystals, however, reveal the strain field around partial dislocations limiting an extended dislocation. A cross-sectional image of a single molecular (S-Mo-S) layer cleaved from molybdenite has been observed. Synthesized MoS2 flakes which were prepared by grinding have been found to be rhombohedral crystals containing many stacking faults caused by glides between S/S layers.

High-velocity projectile impact induced 9R phase in ultrafine-grained aluminium.

PubMed

Xue, Sichuang; Fan, Zhe; Lawal, Olawale B; Thevamaran, Ramathasan; Li, Qiang; Liu, Yue; Yu, K Y; Wang, Jian; Thomas, Edwin L; Wang, Haiyan; Zhang, Xinghang

2017-11-21

Aluminium typically deforms via full dislocations due to its high stacking fault energy. Twinning in aluminium, although difficult, may occur at low temperature and high strain rate. However, the 9R phase rarely occurs in aluminium simply because of its giant stacking fault energy. Here, by using a laser-induced projectile impact testing technique, we discover a deformation-induced 9R phase with tens of nm in width in ultrafine-grained aluminium with an average grain size of 140 nm, as confirmed by extensive post-impact microscopy analyses. The stability of the 9R phase is related to the existence of sessile Frank loops. Molecular dynamics simulations reveal the formation mechanisms of the 9R phase in aluminium. This study sheds lights on a deformation mechanism in metals with high stacking fault energies.

Multi-scale simulation of lithium diffusion in the presence of a 30° partial dislocation and stacking fault in Si

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

Wang, Chao-Ying; Li, Chen-liang; Wu, Guo-Xun

The multi-scale simulation method is employed to investigate how defects affect the performances of Li-ion batteries (LIBs). The stable positions, binding energies and dynamics properties of Li impurity in Si with a 30° partial dislocation and stacking fault (SF) have been studied in comparison with the ideal crystal. It is found that the most table position is the tetrahedral (T{sub d}) site and the diffusion barrier is 0.63 eV in bulk Si. In the 30° partial dislocation core and SF region, the most stable positions are at the centers of the octagons (Oct-A and Oct-B) and pentahedron (site S), respectively. Inmore » addition, Li dopant may tend to congregate in these defects. The motion of Li along the dislocation core are carried out by the transport among the Oct-A (Oct-B) sites with the barrier of 1.93 eV (1.12 eV). In the SF region, the diffusion barrier of Li is 0.91 eV. These two types of defects may retard the fast migration of Li dopant that is finally trapped by them. Thus, the presence of the 30° partial dislocation and SF may deactivate the Li impurity and lead to low rate capability of LIB.« less

Characterization of HgCdTe and Related Materials For Third Generation Infrared Detectors

NASA Astrophysics Data System (ADS)

Vaghayenegar, Majid

Hg1-xCdxTe (MCT) has historically been the primary material used for infrared detectors. Recently, alternative substrates for MCT growth such as Si, as well as alternative infrared materials such as Hg1-xCdxSe, have been explored. This dissertation involves characterization of Hg-based infrared materials for third generation infrared detectors using a wide range of transmission electron microscopy (TEM) techniques. A microstructural study on HgCdTe/CdTe heterostructures grown by MBE on Si (211) substrates showed a thin ZnTe layer grown between CdTe and Si to mediate the large lattice mismatch of 19.5%. Observations showed large dislocation densities at the CdTe/ZnTe/Si (211) interfaces, which dropped off rapidly away from the interface. Growth of a thin HgTe buffer layer between HgCdTe and CdTe layers seemed to improve the HgCdTe layer quality by blocking some defects. A second study investigated the correlation of etch pits and dislocations in as-grown and thermal-cycle-annealed (TCA) HgCdTe (211) films. For as-grown samples, pits with triangular and fish-eye shapes were associated with Frank partial and perfect dislocations, respectively. Skew pits were determined to have a more complex nature. TCA reduced the etch-pit density by 72%. Although TCA processing eliminated the fish-eye pits, dislocations reappeared in shorter segments in the TCA samples. Large pits were observed in both as-grown and TCA samples, but the nature of any defects associated with these pits in the as-grown samples is unclear. Microstructural studies of HgCdSe revealed large dislocation density at ZnTe/Si(211) interfaces, which dropped off markedly with ZnTe thickness. Atomic-resolution STEM images showed that the large lattice mismatch at the ZnTe/Si interface was accommodated through {111}-type stacking faults. A detailed analysis showed that the stacking faults were inclined at angles of 19.5 and 90 degrees at both ZnTe/Si and HgCdSe/ZnTe interfaces. These stacking faults were associated with Shockley and Frank partial dislocations, respectively. Initial attempts to delineate individual dislocations by chemical etching revealed that while the etchants successfully attacked defective areas, many defects in close proximity to the pits were unaffected.

Size effects of nano-spaced basal stacking faults on the strength and deformation mechanisms of nanocrystalline pure hcp metals

NASA Astrophysics Data System (ADS)

Wang, Wen; Jiang, Ping; Yuan, Fuping; Wu, Xiaolei

2018-05-01

The size effects of nano-spaced basal stacking faults (SFs) on the tensile strength and deformation mechanisms of nanocrystalline pure cobalt and magnesium have been investigated by a series of large-scale 2D columnar and 3D molecular dynamics simulations. Unlike the strengthening effect of basal SFs on Mg alloys, the nano-spaced basal SFs are observed to have no strengthening effect on the nanocrystalline pure cobalt and magnesium from MD simulations. These observations could be attributed to the following two reasons: (i) Lots of new basal SFs are formed before (for cobalt) or simultaneously with (for magnesium) the other deformation mechanisms (i.e. the formation of twins and the < c + a > edge dislocations) during the tensile deformation; (ii) In hcp alloys, the segregation of alloy elements and impurities at typical interfaces, such as SFs, can stablilise them for enhancing the interactions with dislocation and thus elevating the strength. Without such segregation in pure hcp metals, the < c + a > edge dislocations can cut through the basal SFs although the interactions between the < c + a > dislocations and the pre-existing SFs/newly formed SFs are observed. The nano-spaced basal SFs are also found to have no restriction effect on the formation of deformation twins.

Evaluation of stacking faults and associated partial dislocations in AlSb/GaAs (001) interface by aberration-corrected high-resolution transmission electron microscopy

NASA Astrophysics Data System (ADS)

Wen, C.; Ge, B. H.; Cui, Y. X.; Li, F. H.; Zhu, J.; Yu, R.; Cheng, Z. Y.

2014-11-01

The stacking faults (SFs) in an AlSb/GaAs (001) interface were investigated using a 300 kV spherical aberration-corrected high-resolution transmission electron microscope (HRTEM). The structure and strain distribution of the single and intersecting (V-shaped) SFs associated with partial dislocations (PDs) were characterized by the [110] HRTEM images and geometric phase analysis, respectively. In the biaxial strain maps ɛxx and ɛyy, a SF can be divided into several sections under different strain states (positive or negative strain values). Furthermore, the strain state for the same section of a SF is in contrast to each other in ɛxx and ɛyy strain maps. The modification in the strain states was attributed to the variation in the local atomic displacements for the SF in the AlSb film on the GaAs substrate recorded in the lattice image. Finally, the single SF was found to be bounded by two 30° PDs. A pair of 30° PDs near the heteroepitaxial interface reacted to form a Lomer-Cottrell sessile dislocation located at the vertices of V-shaped SFs with opposite screw components. The roles of misfit dislocations, such as the PDs, in strain relaxation were also discussed.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Structural Characterization of Lateral-grown 6H-SiC am-plane Seed Crystals by Hot Wall CVD Epitaxy

NASA Technical Reports Server (NTRS)

Goue, Ouloide Yannick; Raghothamachar, Balaji; Dudley, Michael; Trunek, Andrew J.; Neudeck, Philip G.; Woodworth, Andrew A.; Spry, David J.

2014-01-01

The performance of commercially available silicon carbide (SiC) power devices is limited due to inherently high density of screw dislocations (SD), which are necessary for maintaining polytype during boule growth and commercially viable growth rates. The NASA Glenn Research Center (GRC) has recently proposed a new bulk growth process based on axial fiber growth (parallel to the c-axis) followed by lateral expansion (perpendicular to the c-axis) for producing multi-faceted m-plane SiC boules that can potentially produce wafers with as few as one SD per wafer. In order to implement this novel growth technique, the lateral homoepitaxial growth expansion of a SiC fiber without introducing a significant number of additional defects is critical. Lateral expansion is being investigated by hot wall chemical vapor deposition (HWCVD) growth of 6H-SiC am-plane seed crystals (0.8mm x 0.5mm x 15mm) designed to replicate axially grown SiC single crystal fibers. The post-growth crystals exhibit hexagonal morphology with approximately 1500 m (1.5 mm) of total lateral expansion. Preliminary analysis by synchrotron white beam x-ray topography (SWBXT) confirms that the growth was homoepitaxial, matching the polytype of the respective underlying region of the seed crystal. Axial and transverse sections from the as grown crystal samples were characterized in detail by a combination of SWBXT, transmission electron microscopy (TEM) and Raman spectroscopy to map defect types and distribution. X-ray diffraction analysis indicates the seed crystal contained stacking disorders and this appears to have been reproduced in the lateral growth sections. Analysis of the relative intensity for folded transverse acoustic (FTA) and optical (FTO) modes on the Raman spectra indicate the existence of stacking faults. Further, the density of stacking faults is higher in the seed than in the grown crystal. Bundles of dislocations are observed propagating from the seed in m-axis lateral directions. Contrast extinction analysis of these dislocation lines reveals they are edge type basal plane dislocations that track the growth direction. Polytype phase transition and stacking faults were observed by high-resolution TEM (HRTEM), in agreement with SWBXT and Raman scattering.

ICME for Crashworthiness of TWIP Steels: From Ab Initio to the Crash Performance

NASA Astrophysics Data System (ADS)

Güvenç, O.; Roters, F.; Hickel, T.; Bambach, M.

2015-01-01

During the last decade, integrated computational materials engineering (ICME) emerged as a field which aims to promote synergetic usage of formerly isolated simulation models, data and knowledge in materials science and engineering, in order to solve complex engineering problems. In our work, we applied the ICME approach to a crash box, a common automobile component crucial to passenger safety. A newly developed high manganese steel was selected as the material of the component and its crashworthiness was assessed by simulated and real drop tower tests. The crashworthiness of twinning-induced plasticity (TWIP) steel is intrinsically related to the strain hardening behavior caused by the combination of dislocation glide and deformation twinning. The relative contributions of those to the overall hardening behavior depend on the stacking fault energy (SFE) of the selected material. Both the deformation twinning mechanism and the stacking fault energy are individually well-researched topics, but especially for high-manganese steels, the determination of the stacking-fault energy and the occurrence of deformation twinning as a function of the SFE are crucial to understand the strain hardening behavior. We applied ab initio methods to calculate the stacking fault energy of the selected steel composition as an input to a recently developed strain hardening model which models deformation twinning based on the SFE-dependent dislocation mechanisms. This physically based material model is then applied to simulate a drop tower test in order to calculate the energy absorption capacity of the designed component. The results are in good agreement with experiments. The model chain links the crash performance to the SFE and hence to the chemical composition, which paves the way for computational materials design for crashworthiness.

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

PubMed

Mishra, Srishti; Meraj, Md; Pal, Snehanshu

2018-06-19

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

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

NASA Astrophysics Data System (ADS)

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio; Jensen, Mallory Ann; Morishige, Ashley E.; Lai, Barry; Hao, Ruiying; Ravi, T. S.; Buonassisi, Tonio

2018-02-01

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 104 cm-2), localized areas with a defect density > 105 cm-2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stacking faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. The impact of the defects on material performance and substrate re-use is also discussed.

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

NASA Astrophysics Data System (ADS)

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

2017-11-01

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

X-ray analysis of temperature induced defect structures in boron implanted silicon

NASA Astrophysics Data System (ADS)

Sztucki, M.; Metzger, T. H.; Kegel, I.; Tilke, A.; Rouvière, J. L.; Lübbert, D.; Arthur, J.; Patel, J. R.

2002-10-01

We demonstrate the application of surface sensitive diffuse x-ray scattering under the condition of grazing incidence and exit angles to investigate growth and dissolution of near-surface defects after boron implantation in silicon(001) and annealing. Silicon wafers were implanted with a boron dose of 6×1015 ions/cm2 at 32 keV and went through different annealing treatments. From the diffuse intensity close to the (220) surface Bragg peak we reveal the nature and kinetic behavior of the implantation induced defects. Analyzing the q dependence of the diffuse scattering, we are able to distinguish between point defect clusters and extrinsic stacking faults on {111} planes. Characteristic for stacking faults are diffuse x-ray intensity streaks along <111> directions, which allow for the determination of their growth and dissolution kinetics. For the annealing conditions of our crystals, we conclude that the kinetics of growth can be described by an Ostwald ripening model in which smaller faults shrink at the expense of the larger stacking faults. The growth is found to be limited by the self-diffusion of silicon interstitials. After longer rapid thermal annealing the stacking faults disappear almost completely without shrinking, most likely by transformation into perfect loops via a dislocation reaction. This model is confirmed by complementary cross-sectional transmission electron microscopy.

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

NASA Astrophysics Data System (ADS)

Lv, Duchao

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

Mesoscale models for stacking faults, deformation twins and martensitic transformations: Linking atomistics to continuum

NASA Astrophysics Data System (ADS)

Kibey, Sandeep A.

We present a hierarchical approach that spans multiple length scales to describe defect formation---in particular, formation of stacking faults (SFs) and deformation twins---in fcc crystals. We link the energy pathways (calculated here via ab initio density functional theory, DFT) associated with formation of stacking faults and twins to corresponding heterogeneous defect nucleation models (described through mesoscale dislocation mechanics). Through the generalized Peieirls-Nabarro model, we first correlate the width of intrinsic SFs in fcc alloy systems to their nucleation pathways called generalized stacking fault energies (GSFE). We then establish a qualitative dependence of twinning tendency in fee metals and alloys---specifically, in pure Cu and dilute Cu-xAl (x= 5.0 and 8.3 at.%)---on their twin-energy pathways called the generalized planar fault energies (GPFE). We also link the twinning behavior of Cu-Al alloys to their electronic structure by determining the effect of solute Al on the valence charge density redistribution at the SF through ab initio DFT. Further, while several efforts have been undertaken to incorporate twinning for predicting stress-strain response of fcc materials, a fundamental law for critical twinning stress has not yet emerged. We resolve this long-standing issue by linking quantitatively the twin-energy pathways (GPFE) obtained via ab initio DFT to heterogeneous, dislocation-based twin nucleation models. We establish an analytical expression that quantitatively predicts the critical twinning stress in fcc metals in agreement with experiments without requiring any empiricism at any length scale. Our theory connects twinning stress to twin-energy pathways and predicts a monotonic relation between stress and unstable twin stacking fault energy revealing the physics of twinning. We further demonstrate that the theory holds for fcc alloys as well. Our theory inherently accounts for directional nature of twinning which available qualitative models do not necessarily account for. Finally, we extend the present work to martensitic transformations and determine the energy pathway for B2→B19 transformation in NiTi. Based on our ab initio DFT calculations, we propose a combined distortion-shuffle pathway for B2→B19 transformation in NiTi. Our results indicate that in NiTi, a barrier of 0.48 mRyd/atom (relative to B2 phase) must be overcome to transform the parent B2 into orthorhombic B19 phase.

Nanocrystalline copper films are never flat

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

Dislocation structures of Σ3 {112} twin boundaries in face centered cubic metals

NASA Astrophysics Data System (ADS)

Wang, J.; Anderoglu, O.; Hirth, J. P.; Misra, A.; Zhang, X.

2009-07-01

High resolution transmission electron microscopy of nanotwinned Cu films revealed Σ3 {112} incoherent twin boundaries (ITBs), with a repeatable pattern involving units of three {111} atomic planes. Topological analysis shows that Σ3 {112} ITBs adopt two types of atomic structure with differing arrangements of Shockley partial dislocations. Atomistic simulations were performed for Cu and Al. These studies revealed the structure of the two types of ITBs, the formation mechanism and stability of the associated 9R phase, and the influence of stacking fault energies on them. The results suggest that Σ3 {112} ITBs may migrate through the collective glide of partial dislocations.

Stair-rod dislocation cores acting as one-dimensional charge channels in GaAs nanowires

NASA Astrophysics Data System (ADS)

Bologna, Nicolas; Agrawal, Piyush; Campanini, Marco; Knödler, Moritz; Rossell, Marta D.; Erni, Rolf; Passerone, Daniele

2018-01-01

Aberration-corrected scanning transmission electron microscopy and density-functional theory calculations have been used to investigate the atomic and electronic structure of stair-rod dislocations connected via stacking faults in GaAs nanowires. At the apexes, two distinct dislocation cores consisting of single-column pairs of either gallium or arsenic were identified. Ab initio calculations reveal an overall reduction in the energy gap with the development of two bands of filled and empty localized states at the edges of valence and conduction bands in the Ga core and in the As core, respectively. Our results suggest the behavior of stair-rod dislocations along the nanowire as one-dimensional charge channels, which could host free carriers upon appropriate doping.

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

DOE PAGES

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

2017-09-29

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

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

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

Yang, Tengfei; Xia, Songqin; Guo, Wei

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

Motion of 1/3⟨111⟩ dislocations on Σ3 {112} twin boundaries in nanotwinned copper

NASA Astrophysics Data System (ADS)

Lu, N.; Du, K.; Lu, L.; Ye, H. Q.

2014-01-01

The atomic structure of Σ3 {112} ITBs in nanotwinned Cu is investigated by using aberration-corrected high resolution transmission electron microscopy (HRTEM) and in situ HRTEM observations. The Σ3 {112} ITBs are consisted of periodically repeated three partial dislocations. The in situ HRTEM results show that 1/3[111] partial dislocation moves on the Σ3 {112} incoherent twin boundary (ITB), which was accompanied by a migration of the ITB. A dislocation reaction mechanism is proposed for the motion of 1/3[111] Frank partial dislocation, in which the 1/3[111] partial dislocation exchanges its position with twin boundary dislocations in sequence. In this way, the 1/3[111] dislocation can move on the incoherent twin boundary in metals with low stacking fault energy. Meanwhile, the ITB will migrate in its normal direction accordingly. These results provide insight into the reaction mechanism of 1/3[111] dislocations and ITBs and the associated migration of ITBs.

Pressure Dependence of the Peierls Stress in Aluminum

NASA Astrophysics Data System (ADS)

Dang, Khanh; Spearot, Douglas

2018-03-01

The effect of pressure applied normal to the {111} slip plane on the Peierls stress in Al is studied via atomistic simulations. Edge, screw, 30°, and 60° straight dislocations are created using the Volterra displacement fields for isotropic elasticity. For each dislocation character angle, the Peierls stress is calculated based on the change in the internal energy, which is an invariant measure of the dislocation driving force. It is found that the Peierls stress for dislocations under zero pressure is in general agreement with previous results. For screw and 60° dislocations, the Peierls stress versus pressure relationship has maximum values associated with stacking fault widths that are multiples of the Peierls period. For the edge dislocation, the Peierls stress decreases with increasing pressure from tension to compression. Compared with the Mendelev potential, the Peierls stress calculated from the Mishin potential is more sensitive to changes in pressure.

Origin of tension-compression asymmetry in ultrafine-grained fcc metals

NASA Astrophysics Data System (ADS)

Tsuru, T.

2017-08-01

A mechanism of anomalous tension-compression (T-C) asymmetry in ultrafine-grained (UFG) metals is proposed using large-scale atomistic simulations and dislocation theory. Unlike coarse-grained metals, UFG Al exhibits remarkable T-C asymmetry of the yield stress. The atomistic simulations reveal that the yield event is not related to intragranular dislocations but caused by dislocation nucleation from the grain boundaries (GBs). The dislocation core structure associated with the stacking fault energy in Al is strongly affected by the external stress compared with Cu; specifically, high tensile stress stabilizes the dissociation into partial dislocations. These dislocations are more likely to be nucleated from GBs and form deformation twins from an energetic viewpoint. The mechanism, which is different from well-known mechanisms for nanocrystalline and amorphous metals, is unique to high-strength UFG metals and can explain the difference in T-C asymmetry between UFG Cu and Al.

Intrinsic luminescence and core structure of freshly introduced a-screw dislocations in n-GaN

NASA Astrophysics Data System (ADS)

Medvedev, O.; Vyvenko, O.; Ubyivovk, E.; Shapenkov, S.; Bondarenko, A.; Saring, P.; Seibt, M.

2018-04-01

Dislocations introduced by the scratching or by the indentation of the basal and prismatic surfaces of low-ohmic unintentionally n-type doped GaN crystals were investigated by means of cathodoluminescence and transmission electron microscopy (TEM). A strong luminescence of straight segments of a-screw dislocations was observed in the temperature range of 70-420 K. The spectrum of dislocation related luminescence (DRL) consisted of a doublet of narrow lines red shifted by about 0.3 eV with respect to the band gap. TEM revealed dissociated character of the screw dislocations and the formation of extended nodes at their intersection. From the analysis of the DRL spectral doublet temperature, power and strain dependences DRL was ascribed to direct and indirect excitons bound by 1D quantum wells formed by partials and stacking fault (SF) ribbon of dissociated screw dislocation.

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

DOE PAGES

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

2015-10-08

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

Predicting the structure of screw dislocations in nanoporous materials

NASA Astrophysics Data System (ADS)

Walker, Andrew M.; Slater, Ben; Gale, Julian D.; Wright, Kate

2004-10-01

Extended microscale crystal defects, including dislocations and stacking faults, can radically alter the properties of technologically important materials. Determining the atomic structure and the influence of defects on properties remains a major experimental and computational challenge. Using a newly developed simulation technique, the structure of the 1/2a <100> screw dislocation in nanoporous zeolite A has been modelled. The predicted channel structure has a spiral form that resembles a nanoscale corkscrew. Our findings suggest that the dislocation will enhance the transport of molecules from the surface to the interior of the crystal while retarding transport parallel to the surface. Crucially, the dislocation creates an activated, locally chiral environment that may have enantioselective applications. These predictions highlight the influence that microscale defects have on the properties of structurally complex materials, in addition to their pivotal role in crystal growth.

Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys

DOE PAGES

Zhao, Shijun; Osetsky, Yuri N.; Zhang, Yanwen; ...

2017-01-19

Single-phase concentrated solid solution alloys (CSAs), including high entropy alloys, exhibit excellent mechanical properties compared to conventional dilute alloys. However, the origin of this observation is not clear yet because the dislocation properties in CSAs are poorly understood. In this work, the mobility of a <110>{111} edge dislocation in pure Ni and equiatomic solid solution Ni 0.5Fe 0.5 (NiFe) is studied using molecular dynamics simulations with different empirical potentials. The threshold stress to initiate dislocation movement in NiFe is found to be much higher compared to pure Ni. The drag coefficient of the dislocation motion calculated from the linear regimemore » of dislocation velocities versus applied stress suggests that the movement of dislocations in NiFe is strongly damped compared to that in Ni. The present results indicate that the mobility of edge dislocations in fcc CSAs are controlled by the fluctuations in local stacking fault energy caused by the local variation of alloy composition.« less

Molecular Dynamics Study of High Symmetry Planar Defect Evolution during Growth of CdTe/CdS Films

DOE PAGES

Chavez, Jose Juan; Zhou, Xiao W.; Almeida, Sergio F.; ...

2017-12-15

The growth dynamics and evolution of intrinsic stacking faults, lamellar, and double positioning twin grain boundaries were explored using molecular dynamics simulations during the growth of CdTe homoepitaxy and CdTe/CdS heteroepitaxy. Initial substrate structures were created containing either stacking fault or one type of twin grain boundary, and films were subsequently deposited to study the evolution of the underlying defect. Results show that during homoepitaxy the film growth was epitaxial and the substrate’s defects propagated into the epilayer, except for the stacking fault case where the defect disappeared after the film thickness increased. In contrast, films grown on heteroepitaxy conditionsmore » formed misfit dislocations and grew with a small angle tilt (within ~5°) of the underlying substrate’s orientation to alleviate the lattice mismatch. Grain boundary proliferation was observed in the lamellar and double positioning twin cases. Finally, our study indicates that it is possible to influence the propagation of high symmetry planar defects by selecting a suitable substrate defect configuration, thereby controlling the film defect morphology.« less

Molecular Dynamics Study of High Symmetry Planar Defect Evolution during Growth of CdTe/CdS Films

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

Chavez, Jose Juan; Zhou, Xiao W.; Almeida, Sergio F.

The growth dynamics and evolution of intrinsic stacking faults, lamellar, and double positioning twin grain boundaries were explored using molecular dynamics simulations during the growth of CdTe homoepitaxy and CdTe/CdS heteroepitaxy. Initial substrate structures were created containing either stacking fault or one type of twin grain boundary, and films were subsequently deposited to study the evolution of the underlying defect. Results show that during homoepitaxy the film growth was epitaxial and the substrate’s defects propagated into the epilayer, except for the stacking fault case where the defect disappeared after the film thickness increased. In contrast, films grown on heteroepitaxy conditionsmore » formed misfit dislocations and grew with a small angle tilt (within ~5°) of the underlying substrate’s orientation to alleviate the lattice mismatch. Grain boundary proliferation was observed in the lamellar and double positioning twin cases. Finally, our study indicates that it is possible to influence the propagation of high symmetry planar defects by selecting a suitable substrate defect configuration, thereby controlling the film defect morphology.« less

Complex and noncentrosymmetric stacking of layered metal dichalcogenide materials created by screw dislocations

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

Shearer, Melinda J.; Samad, Leith; Zhang, Yi

The interesting and tunable properties of layered metal dichalcogenides heavily depend on their phase and layer stacking. Here, we show and explain how the layer stacking and physical properties of WSe 2 are influenced by screw dislocations. A one-to-one correlation of atomic force microscopy and high- and low-frequency Raman spectroscopy of many dislocated WSe 2 nanoplates reveals variations in the number and shapes of dislocation spirals and different layer stackings that are determined by the number, rotation, and location of the dislocations. Plates with triangular dislocation spirals form noncentrosymmetric stacking that gives rise to strong second-harmonic generation and enhanced photoluminescence,more » plates with hexagonal dislocation spirals form the bulk 2H layer stacking commonly observed, and plates containing mixed dislocation shapes have intermediate noncentrosymmetric stackings with mixed properties. Multiple dislocation cores and other complexities can lead to more complex stackings and properties. Finally, these previously unobserved properties and layer stackings in WSe 2 will be interesting for spintronics and valleytronics.« less

Complex and noncentrosymmetric stacking of layered metal dichalcogenide materials created by screw dislocations

DOE PAGES

Shearer, Melinda J.; Samad, Leith; Zhang, Yi; ...

2017-02-08

The interesting and tunable properties of layered metal dichalcogenides heavily depend on their phase and layer stacking. Here, we show and explain how the layer stacking and physical properties of WSe 2 are influenced by screw dislocations. A one-to-one correlation of atomic force microscopy and high- and low-frequency Raman spectroscopy of many dislocated WSe 2 nanoplates reveals variations in the number and shapes of dislocation spirals and different layer stackings that are determined by the number, rotation, and location of the dislocations. Plates with triangular dislocation spirals form noncentrosymmetric stacking that gives rise to strong second-harmonic generation and enhanced photoluminescence,more » plates with hexagonal dislocation spirals form the bulk 2H layer stacking commonly observed, and plates containing mixed dislocation shapes have intermediate noncentrosymmetric stackings with mixed properties. Multiple dislocation cores and other complexities can lead to more complex stackings and properties. Finally, these previously unobserved properties and layer stackings in WSe 2 will be interesting for spintronics and valleytronics.« less

Disentangling vortex pinning landscape in chemical solution deposited superconducting YBa2Cu3O7-x films and nanocomposites

NASA Astrophysics Data System (ADS)

Palau, A.; Vallès, F.; Rouco, V.; Coll, M.; Li, Z.; Pop, C.; Mundet, B.; Gàzquez, J.; Guzman, R.; Gutierrez, J.; Obradors, X.; Puig, T.

2018-07-01

In-field angular pinning performances at different temperatures have been analysed on chemical solution deposited (CSD) YBa2Cu3O7-x (YBCO) pristine films and nanocomposites. We show that with this analysis we are able to quantify the vortex pinning strength and energies, associated with different kinds of natural and artificial pinning defects, acting as efficient pinning centres at different regions of the H-T phase diagram. A good quantification of the variety of pinning defects active at different temperatures and magnetic fields provides a unique tool to design the best vortex pinning landscape under different operating conditions. We have found that by artificially introducing a unique defect in the YBCO matrix, the stacking faults, we are able to modify three different contributions to vortex pinning (isotropic-strong, anisotropic-strong, and isotropic-weak). The isotropic-strong contribution, widely studied in CSD YBCO nanocomposites, is associated with nanostrained regions induced at the partial dislocations surrounding the stacking faults. Moreover, the stacking fault itself acts as a planar defect which provides a very effective anisotropic-strong pinning at H//ab. Finally, the large presence of Cu-O cluster vacancies found in the stacking faults have been revealed as a source of isotropic-weak pinning sites, very active at low temperatures and high fields.

Dislocation Structure and Mobility in hcp He 4

DOE PAGES

Landinez Borda, Edgar Josue; Cai, Wei; de Koning, Maurice

2016-07-20

We assess the core structure and mobility of the screw and edge basal-plane dislocations in hcp 4He using path-integral Monte Carlo simulations. Our findings provide key insights into recent interpretations of giant plasticity and mass flow junction experiments. First, both dislocations are dissociated into nonsuperfluid Shockley partial dislocations separated by ribbons of stacking fault, suggesting that they are unlikely to act as one-dimensional channels that may display Lüttinger-liquid-like behavior. Second, the centroid positions of the partial cores are found to fluctuate substantially, even in the absence of applied shear stresses. This implies that the lattice resistance to motion of themore » partial dislocations is negligible, consistent with the recent experimental observations of giant plasticity. Our results indicate that both the structure of the partial cores and the zero-point fluctuations play a role in this extreme mobility.« less

Structural modifications due to interface chemistry at metal-nitride interfaces

DOE PAGES

Yadav, S. K.; Shao, S.; Wang, J.; ...

2015-11-27

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. As a result, corresponding to structural energiesmore » of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces.« less

Structural modifications due to interface chemistry at metal-nitride interfaces

PubMed Central

Yadav, S. K.; Shao, S.; Wang, J.; Liu, X.-Y.

2015-01-01

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. Corresponding to structural energies of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces. PMID:26611639

Expansion of Shockley stacking fault observed by scanning electron microscope and partial dislocation motion in 4H-SiC

NASA Astrophysics Data System (ADS)

Yamashita, Yoshifumi; Nakata, Ryu; Nishikawa, Takeshi; Hada, Masaki; Hayashi, Yasuhiko

2018-04-01

We studied the dynamics of the expansion of a Shockley-type stacking fault (SSF) with 30° Si(g) partial dislocations (PDs) using a scanning electron microscope. We observed SSFs as dark lines (DLs), which formed the contrast at the intersection between the surface and the SSF on the (0001) face inclined by 8° from the surface. We performed experiments at different electron-beam scanning speeds, observing magnifications, and irradiation areas. The results indicated that the elongation of a DL during one-frame scanning depended on the time for which the electron beam irradiated the PD segment in the frame of view. From these results, we derived a formula to express the velocity of the PD using the elongation rate of the corresponding DL during one-frame scanning. We also obtained the result that the elongation velocity of the DL was not influenced by changing the direction in which the electron beam irradiates the PD. From this result, we deduced that the geometrical kink motion of the PD was enhanced by diffusing carriers that were generated by the electron-beam irradiation.

Influence of stacking fault energy on defect structures and microhardness of Cu and Cu alloys.

PubMed

Tao, Jing-Mei; Li, Dai; Li, Cai-Ju; Zhu, Xin-Kun

2011-12-01

Nano-structured Cu, Cu-10 wt%Zn and Cu-2 wt%Al with stacking fault energies (SFE) of 78, 35 and 37 mJ/m2, respectively, were preprared through high energy ball milling. X-ray diffraction and Vickers microharness test were used to investigate the microstructure and microhardness of all the samples after ball milling. X-ray diffraction measurements indicate that lower SFEs lead both to decrease in grain size and increase in microstrain, dislocation and twin densities for Cu-10 wt%Zn and Cu-2 wt%Al after 5 h of ball milling. The microhardnesses of Cu-10 wt%Zn and Cu-2 wt%Al reach to nearly the same values of 2.5 GPa after 5 h of ball milling, which is higher than that of Cu of 2.0 GPa. Two factors are considered to contribute to the finer grian size and higher microhardness of Cu-10 wt%Zn and Cu-2 wt%Al: (1) the effect of solid solution strengthening, which result in the interaction of solute atoms with screw dislocations; (2) the introduction of deformation twins during ball milling process by the decreasing of SFE, which results in the grain refinement.

Why self-catalyzed nanowires are most suitable for large-scale hierarchical integrated designs of nanowire nanoelectronics

NASA Astrophysics Data System (ADS)

Noor Mohammad, S.

2011-10-01

Nanowires are grown by a variety of mechanisms, including vapor-liquid-solid, vapor-quasiliquid-solid or vapor-quasisolid-solid, oxide-assisted growth, and self-catalytic growth (SCG) mechanisms. A critical analysis of the suitability of self-catalyzed nanowires, as compared to other nanowires, for next-generation technology development has been carried out. Basic causes of superiority of self-catalyzed (SCG) nanowires over other nanowires have been described. Polytypism in nanowires has been studied, and a model for polytypism has been proposed. The model predicts polytypism in good agreement with available experiments. This model, together with various evidences, demonstrates lower defects, dislocations, and stacking faults in SCG nanowires, as compared to those in other nanowires. Calculations of carrier mobility due to dislocation scattering, ionized impurity scattering, and acoustic phonon scattering explain the impact of defects, dislocations, and stacking faults on carrier transports in SCG and other nanowires. Analyses of growth mechanisms for nanowire growth directions indicate SCG nanowires to exhibit the most controlled growth directions. In-depth investigation uncovers the fundamental physics underlying the control of growth direction by the SCG mechanism. Self-organization of nanowires in large hierarchical arrays is crucial for ultra large-scale integration (ULSI). Unique features and advantages of self-organized SCG nanowires, unlike other nanowires, for this ULSI have been discussed. Investigations of nanowire dimension indicate self-catalyzed nanowires to have better control of dimension, higher stability, and higher probability, even for thinner structures. Theoretical calculations show that self-catalyzed nanowires, unlike catalyst-mediated nanowires, can have higher growth rate and lower growth temperature. Nanowire and nanotube characteristics have been found also to dictate the performance of nanoelectromechanical systems. Defects, such as stacking faults, dislocations, and nanopipes, which are common in catalyst-mediated nanowires and nanotubes, adversely affect the efficiency of nanowire (nanotube) nanoelectro-mechanical devices. The influence of seed-to-seed distance and collection area radius on the self-catalyzed, self-aligned nanowire growths in large arrays of seeds has been examined. A hypothesis has been presented for this. The present results are in good agreement with experiments. These results suggest that the SCG nanowires are perhaps the best vehicles for revolutionary advancement of tomorrow's nanotechnology.

Orientation Dependence of the Deformation Microstructure of Ta-4%W after Cold-Rolling

NASA Astrophysics Data System (ADS)

Zhang, J.; Ma, G. Q.; Godfrey, A.; Shu, D. Y.; Chen, Q.; Wu, G. L.

2017-07-01

One of the common features of deformed face-centered cubic metals with medium to high stacking fault energy is the formation of geometrically necessary dislocation boundaries. The dislocation boundary arrangements in refractory metals with body-centered cubic crystal structure are, however, less well known. To address this issue a Ta-4%W alloy was cold rolled up to 70% in thickness in the present work. The resulting deformation microstructures were characterized by electron back-scattering diffraction and the dislocation boundary arrangements in each grain were revealed using sample-frame misorientation axis maps calculated using an in-house code. The maps were used to analyze the slip pattern of individual grains after rolling, revealing an orientation dependence of the slip pattern.

Structure of screw dislocation core in Ta at high pressure

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

Wang, Shaofeng, E-mail: sfwang@cqu.edu.cn; Jiang, Na; Wang, Rui

2014-03-07

The core structure and Peierls stress of the 1/2 〈111〉(110) screw dislocation in Ta have been investigated theoretically using the modified Peierls–Nabarro theory that takes into account the discreteness effect of crystal. The lattice constants, the elastic properties, and the generalized-stacking-fault energy(γ-surface) under the different pressures have been calculated from the electron density functional theory. The core structure of dislocation is determined by the modified Peierls equation, and the Peierls stress is evaluated from the dislocation energy that varies periodically as dislocation moves. The results show the core width and Peierls stress in Ta are weakly dependent of the pressuremore » up to 100 GPa when the length and stress are measured separately by the Burgers vector b and shear modulus μ. This indicates that core structure is approximately scaling invariant for the screw dislocation in Ta. The scaled plasticity of Ta changes little in high pressure environment.« less

Dislocations in bilayer graphene

NASA Astrophysics Data System (ADS)

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

2014-01-01

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

Dislocations in bilayer graphene.

PubMed

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

2014-01-23

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

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

DOE PAGES

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

2016-11-19

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

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

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

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

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

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

NASA Astrophysics Data System (ADS)

Han, Wentuo; Li, Bingsheng

2018-06-01

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

Effects of Grain Size and Twin Layer Thickness on Crack Initiation at Twin Boundaries.

PubMed

Zhou, Piao; Zhou, Jianqiu; Zhu, Yongwei; Jiang, E; Wang, Zikun

2018-04-01

A theoretical model to explore the effect on crack initiation of nanotwinned materials was proposed based on the accumulation of dislocations at twin boundaries. First, a critical cracking initiation condition was established considering the number of dislocations pill-up at TBs, grain size and twin layer thickness, and a semi-quantitative relationship between the crystallographic orientation and the stacking fault energy was built. In addition, the number of dislocations pill-up was described by introducing the theory of strain gradient. Based on this model, the effects of grain size and twin lamellae thickness on dislocation density and crack initiation at twin boundaries were also discussed. The simulation results demonstrated that the crack initiation resistance can be improved by decreasing the grain size and increasing the twin lamellae, which keeps in agreement with recent experimental findings reported in the literature.

Dislocation mechanism based model for stage II fatigue crack propagation rate

NASA Technical Reports Server (NTRS)

Mazumdar, P. K.

1986-01-01

Repeated plastic deformation, which of course depends on dislocation mechanism, at or near the crack tip leads to the fatigue crack propagation. By involving the theory of thermally activated flow and the cumulative plastic strain criterion, an effort is made here to model the stage II fatigue crack propagation rate in terms of the dislocation mechanism. The model, therefore, provides capability to ascertain: (1) the dislocation mechanism (and hence the near crack tip microstructures) assisting the crack growth, (2) the relative resistance of dislocation mechanisms to the crack growth, and (3) the fracture surface characteristics and its interpretation in terms of the dislocation mechanism. The local microstructure predicted for the room temperature crack growth in copper by this model is in good agreement with the experimental results taken from the literature. With regard to the relative stability of such dislocation mechanisms as the cross-slip and the dislocation intersection, the model suggests an enhancement of crack growth rate with an ease of cross-slip which in general promotes dislocation cell formation and is common in material which has high stacking fault energy (produces wavy slips). Cross-slip apparently enhances crack growth rate by promoting slip irreversibility and fracture surface brittleness to a greater degree.

Recombination-related properties of a-screw dislocations in GaN: A combined CL, EBIC, TEM study

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

Medvedev, O. S., E-mail: o.s.medvedev@spbu.ru; Mikhailovskii, V. Yu.; IRC for Nanotechnology, Research Park, St.-Petersburg State University

2016-06-17

Cathodoluminescence (CL), electron beam current (EBIC) and transmission electron microscopy (TEM) techniques have been applied to investigate recombination properties and structure of freshly introduced dislocations in low-ohmic GaN crystals. It was confirmed that the only a-screw dislocations exhibited an intense characteristic dislocation-related luminescence (DRL) which persisted up to room temperature and was red-shifted by about 0.3 eV with respect to the band gap energy not only in HVPE but also in MOCVD grown samples. EBIC contrast of the dislocations was found to be temperature independent indicating that the dislocation-related recombination level is situated below 200 meV with respect of conductionmore » band minimum. With the increasing of the magnification of the dislocation TEM cross-sectional images they were found to disappear, probably, due to the recombination enhanced dislocation glide (REDG) under electron beam exposure which was immediately observed in CL investigations on a large scale. The stacking fault ribbon in the core of dissociated a-screw dislocation which form a quantum well for electrons was proposed to play an important role both in DRL spectrum formation and in REDG.« less

Test of the Peierls-Nabarro model for dislocations in silicon

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

Ren, Q.; Joos, B.; Duesbery, M.S.

1995-11-01

We show, using an atomistic model with a Stillinger-Weber potential (SWP), that in the absence of reconstruction, the basic assumption of the Peierls-Nabarro (PN) model that the dislocation core is spread within the glide plane is verified for silicon. The Peierls stress (PS) obtained from the two models are in quantitative agreement ({approx}0.3{mu}), when restoring forces obtained from first principles generalized stacking-fault energy surfaces are used in the PN model [B. Joos, Q. Ren, and M. S. Duesbery, Phys. Rev. B {bold 50}, 5890 (1994)]. The PS was found to be isotropic in the glide plane. Within the SWP modelmore » no evidence of dissociation in the shuffle dislocations is found but glide sets do separate into two partials.« less

IR-LTS a powerful non-invasive tool to observe crystal defects in as-grown silicon, after device processing, and in heteroepitaxial layers

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

Kissinger, G.; Richter, H.; Vanhellemont, J.

1996-12-01

One of the main advantages of infrared light scattering tomography (IR-LST) is the wide range of defect densities that can be studied using this technique. As-grown defects of low density and very small size as well as oxygen precipitation related defects that appear in densities up to some 1010 cm{sup -3} can be observed. As-grown wafers with a {open_quotes}stacking fault ring{close_quotes} were investigated in order to correlate the defects observed by IR-LST with the results of Secco etching and alcaline cleaning solution (SC1) treatment revealing flow pattern defects (FPDs) and crystal originated particles (COPs), respectively. These wafers were studied aftermore » a wet oxidation at 1100{degrees}C for 100 min. In processed CZ silicon wafers it was possible to identify stacking faults and prismatic punching systems directly from the IR-LST image. Brewster angle illumination is a special mode to reveal defects in epitaxial layers in a non-destructive way. Misfit dislocations in the interface between a Ge{sub 0.92}Si{sub 0.08} layer and a silicon substrate were studied using this mode that allows to observe very low dislocation densities.« less

Defects, strain relaxation, and compositional grading in high indium content InGaN epilayers grown by molecular beam epitaxy

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

Bazioti, C.; Kehagias, Th.; Pavlidou, E.

2015-10-21

We investigate the structural properties of a series of high alloy content InGaN epilayers grown by plasma-assisted molecular beam epitaxy, employing the deposition temperature as variable under invariant element fluxes. Using transmission electron microscopy methods, distinct strain relaxation modes were observed, depending on the indium content attained through temperature adjustment. At lower indium contents, strain relaxation by V-pit formation dominated, with concurrent formation of an indium-rich interfacial zone. With increasing indium content, this mechanism was gradually substituted by the introduction of a self-formed strained interfacial InGaN layer of lower indium content, as well as multiple intrinsic basal stacking faults andmore » threading dislocations in the rest of the film. We show that this interfacial layer is not chemically abrupt and that major plastic strain relaxation through defect introduction commences upon reaching a critical indium concentration as a result of compositional pulling. Upon further increase of the indium content, this relaxation mode was again gradually succeeded by the increase in the density of misfit dislocations at the InGaN/GaN interface, leading eventually to the suppression of the strained InGaN layer and basal stacking faults.« less

Studies of molecular-beam epitaxy growth of GaAs on porous Si substrates

NASA Technical Reports Server (NTRS)

Mii, Y. J.; Kao, Y. C.; Wu, B. J.; Wang, K. L.; Lin, T. L.; Liu, J. K.

1988-01-01

GaAs has been grown on porous Si directly and on Si buffer layer-porous Si substrates by molecular-beam epitaxy. In the case of GaAs growth on porous Si, transmission electron microscopy (TEM) reveals that the dominant defects in GaAs layers grown on porous Si are microtwins and stacking faults, which originate from the GaAs/porous Si interface. GaAs is found to penetrate into the porous Si layers. By using a thin Si buffer layer (50 nm), GaAs penetration diminishes and the density of microtwins and stacking faults is largely reduced and localized at the GaAs/Si buffer interface. However, there is a high density of threading dislocations remaining. Both Si (100) aligned and four degree tilted substrates have been examined in this study. TEM results show no observable effect of the tilted substrates on the quality of the GaAs epitaxial layer.

In situ monitoring of stacking fault formation and its carrier lifetime mediation in p-type 4H-SiC

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

Chen, Bin, E-mail: chenbinmse@gmail.com; Chen, Jun; Yao, Yuanzhao

Using the fine control of an electron beam (e-beam) in scanning electron microscopy with the capabilities of both electrical and optical imaging, the stacking fault (SF) formation together with its tuning of carrier lifetime was in situ monitored and investigated in p-type 4H-SiC homoepitaxial films. The SFs were formed through engineering basal plane dislocations with the energy supplied by the e-beam. The e-beam intensity required for the SF formation in the p-type films was ∼100 times higher than that in the n-type ones. The SFs reduced the minority-carrier lifetime in the p-type films, which was opposite to that observed inmore » the n-type case. The reason for the peculiar SF behavior in the p-type 4H-SiC is discussed with the cathodoluminescence results.« less

Nanocrystalline copper films are never flat.

PubMed

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

2017-07-28

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

Dose dependence of helium bubble formation in nano-engineered SiC at 700 °C

DOE PAGES

Chen, Chien -Hung; Zhang, Yanwen; Wang, Yongqiang; ...

2016-02-03

Knowledge of radiation-induced helium bubble nucleation and growth in SiC is essential for applications in fusion and fission environments. Here we report the evolution of microstructure in nano-engineered (NE) 3C SiC, pre-implanted with helium, under heavy ion irradiation at 700 °C up to doses of 30 displacements per atom (dpa). Elastic recoil detection analysis confirms that the as-implanted helium depth profile does not change under irradiation to 30 dpa at 700 °C. While the helium bubble size distribution becomes narrower with increasing dose, the average size of bubbles remains unchanged and the density of bubbles increases somewhat with dose. Thesemore » results are consistent with a long helium bubble incubation process under continued irradiation at 700 °C up to 30 dpa, similar to that reported under dual and triple beam irradiation at much higher temperatures. The formation of bubbles at this low temperature is enhanced by the nano-layered stacking fault structure in the NE SiC, which enhances point defect mobility parallel to the stacking faults. Here, this stacking fault structure is stable at 700 °C up to 30 dpa and suppresses the formation of dislocation loops normally observed under these irradiation conditions.« less

Solution softening in magnesium alloys: the effect of solid solutions on the dislocation core structure and nonbasal slip.

PubMed

Tsuru, T; Udagawa, Y; Yamaguchi, M; Itakura, M; Kaburaki, H; Kaji, Y

2013-01-16

There is a pressing need to improve the ductility of magnesium alloys so that they can be applied as lightweight structural materials. In this study, a mechanism for enhancing the ductility of magnesium alloys has been pursued using the atomistic method. The generalized stacking fault (GSF) energies for basal and prismatic planes in magnesium were calculated by using density functional theory, and the effect of the GSF energy on the dislocation core structures was examined using a semidiscrete variational Peierls-Nabarro model. Yttrium was found to have an anomalous influence on the solution softening owing to a reduction in the GSF energy gradient.

Crack Growth Behavior in the Threshold Region for High Cyclic Loading

NASA Technical Reports Server (NTRS)

Forman, R.; Figert, J.; Beek, J.; Ventura, J.; Martinez, J.; Samonski, F.

2011-01-01

The present studies show that fanning in the threshold regime is likely caused by other factors than a plastic wake developed during load shedding. The cause of fanning at low R-values is a result of localized roughness, mainly formation of a faceted crack surface morphology , plus crack bifurcations which alters the crack closure at low R-values. The crack growth behavior in the threshold regime involves both crack closure theory and the dislocation theory of metals. Research will continue in studying numerous other metal alloys and performing more extensive analysis, such as the variation in dislocation properties (e.g., stacking fault energy) and its effects in different materials.

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

DOE PAGES

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio; ...

2017-11-14

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 10 4 cm -2), localized areas with a defect density > 10 5 cm -2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stackingmore » faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. In conclusion, the impact of the defects on material performance and substrate re-use is also discussed.« less

Characterization of high-quality kerfless epitaxial silicon for solar cells: Defect sources and impact on minority-carrier lifetime

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

Kivambe, Maulid M.; Powell, Douglas M.; Castellanos, Sergio

We investigate the types and origins of structural defects in thin (<100 μm) kerfless epitaxial single crystal silicon grown on top of reorganized porous silicon layers. Although the structural defect density is low (has average defect density < 10 4 cm -2), localized areas with a defect density > 10 5 cm -2 are observed. Cross-sectional and systematic plan-view defect etching and microscopy reveals that the majority of stacking faults and dislocations originate at the interface between the porous silicon layer and the epitaxial wafer. Localised dislocation clusters are observed in regions of collapsed/deformed porous silicon and at decorated stackingmore » faults. In localized regions of high extended defect density, increased minority-carrier recombination activity is observed. Evidence for impurity segregation to the extended defects (internal gettering), which is known to exacerbate carrier recombination is demonstrated. In conclusion, the impact of the defects on material performance and substrate re-use is also discussed.« less

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

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

Modeling plastic deformation of post-irradiated copper micro-pillars

NASA Astrophysics Data System (ADS)

Crosby, Tamer; Po, Giacomo; Ghoniem, Nasr M.

2014-12-01

We present here an application of a fundamentally new theoretical framework for description of the simultaneous evolution of radiation damage and plasticity that can describe both in situ and ex situ deformation of structural materials [1]. The theory is based on the variational principle of maximum entropy production rate; with constraints on dislocation climb motion that are imposed by point defect fluxes as a result of irradiation. The developed theory is implemented in a new computational code that facilitates the simulation of irradiated and unirradiated materials alike in a consistent fashion [2]. Discrete Dislocation Dynamics (DDD) computer simulations are presented here for irradiated fcc metals that address the phenomenon of dislocation channel formation in post-irradiated copper. The focus of the simulations is on the role of micro-pillar boundaries and the statistics of dislocation pinning by stacking-fault tetrahedra (SFTs) on the onset of dislocation channel and incipient surface crack formation. The simulations show that the spatial heterogeneity in the distribution of SFTs naturally leads to localized plastic deformation and incipient surface fracture of micro-pillars.

Phase stability tuning in the NbxZr1-xN thin-film system for large stacking fault density and enhanced mechanical strength

NASA Astrophysics Data System (ADS)

Joelsson, T.; Hultman, L.; Hugosson, H. W.; Molina-Aldareguia, J. M.

2005-03-01

The phase stability of hexagonal WC-structure and cubic NaCl-structure 4d transition metal nitrides was calculated using first-principles density functional theory. It is predicted that there is a multiphase or polytypic region for the 4d transition metal nitrides with a valence electron concentration around 9.5 to 9.7 per formula unit. For verification, epitaxial NbxZr1-xN (0⩽x⩽1) was grown by reactive magnetron sputter deposition on MgO(001) substrates and analyzed with transmission electron microscopy (TEM) and x-ray diffraction. The defects observed in the films were threading dislocations due to nucleation and growth on the lattice-mismatched substrate and planar defects (stacking faults) parallel to the substrate surface. The highest defect density was found at the x =0.5 composition. The nanoindentation hardness of the films varied between 21GPa for the binary nitrides, and 26GPa for Nb0.5Zr0.5N. Unlike the cubic binary nitrides, no slip on the preferred ⟨11¯0⟩{110} slip system was observed. The increase in hardness is attributed to the increase in defect density at x =0.5, as the defects act as obstacles for dislocation glide during deformation. The findings present routes for the design of wear-resistant nitride coatings by phase stability tuning.

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

DOE PAGES

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen; ...

2016-12-14

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

Self-assembled Multilayers of Silica Nanospheres for Defect Reduction in Non- and Semipolar Gallium Nitride Epitaxial Layers

PubMed Central

2015-01-01

Non- and semipolar GaN have great potential to improve the efficiency of light emitting devices due to much reduced internal electric fields. However, heteroepitaxial GaN growth in these crystal orientations suffers from very high dislocation and stacking faults densities. Here, we report a facile method to obtain low defect density non- and semipolar heteroepitaxial GaN via selective area epitaxy using self-assembled multilayers of silica nanospheres (MSN). Nonpolar (11–20) and semipolar (11–22) GaN layers with high crystal quality have been achieved by epitaxial integration of the MSN and a simple one-step overgrowth process, by which both dislocation and basal plane stacking fault densities can be significantly reduced. The underlying defect reduction mechanisms include epitaxial growth through the MSN covered template, island nucleation via nanogaps in the MSN, and lateral overgrowth and coalescence above the MSN. InGaN/GaN multiple quantum wells structures grown on a nonpolar GaN/MSN template show more than 30-fold increase in the luminescence intensity compared to a control sample without the MSN. This self-assembled MSN technique provides a new platform for epitaxial growth of nitride semiconductors and offers unique opportunities for improving the material quality of GaN grown on other orientations and foreign substrates or heteroepitaxial growth of other lattice-mismatched materials. PMID:27065755

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

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

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

Generalized stacking fault energies, cleavage energies, ionicity and brittleness of Cu(Al/Ga/In)Se2 and CuGa(S/Se/Te)2

NASA Astrophysics Data System (ADS)

Xue, H. T.; Tang, F. L.; Gruhn, T.; Lu, W. J.; Wan, F. C.; Rui, Z. Y.; Feng, Y. D.

2014-04-01

We calculate the generalized stacking fault (GSF) energies and cleavage energies γcl of the chalcopyrite compounds CuAlSe2, CuGaSe2, CuInSe2, CuGaS2 and CuGaTe2 using first principles. From the GSF energies, we obtain the unstable stacking fault energies γus and intrinsic stacking fault energies γisf. By analyzing γus and γisf, we find that the \\langle \\bar{{1}}\\,1\\,0\\rangle (1 1 2) direction is the easiest slip direction for these five compounds. Also, for CuInSe2, it is most possible to undergo a dislocation-nucleation-induced plastic deformation along the \\langle \\bar{{1}}\\,1\\,0\\rangle (1 1 2) slip direction. We show that the (1 1 2) plane is the preferable plane for fracture in the five compounds by comparing γcl of the (0 0 1) and (1 1 2) planes. It is also found that both γus and γcl decrease as the cationic or anionic radius increases in these chalcopyrites, i.e. along the sequences CuAlSe2 → CuGaSe2 → CuInSe2 and CuGaS2 → CuGaSe2 → CuGaTe2. Based on the values of the ratio γcl/γus, we discuss the brittle-ductile properties of these compounds. All of the compounds can be considered as brittle materials. In addition, a strong relationship between γcl/γus and the total proportion of ionic bonding in these compounds is found.

The shear response of copper bicrystals with Σ11 symmetric and asymmetric tilt grain boundaries by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Zhang, Liang; Lu, Cheng; Tieu, Kiet; Zhao, Xing; Pei, Linqing

2015-04-01

Grain boundaries (GBs) are important microstructure features and can significantly affect the properties of nanocrystalline materials. Molecular dynamics simulation was carried out in this study to investigate the shear response and deformation mechanisms of symmetric and asymmetric Σ11<1 1 0> tilt GBs in copper bicrystals. Different deformation mechanisms were reported, depending on GB inclination angles and equilibrium GB structures, including GB migration coupled to shear deformation, GB sliding caused by local atomic shuffling, and dislocation nucleation from GB. The simulation showed that migrating Σ11(1 1 3) GB under shear can be regarded as sliding of GB dislocations and their combination along the boundary plane. A non-planar structure with dissociated intrinsic stacking faults was prevalent in Σ11 asymmetric GBs of Cu. This type of structure can significantly increase the ductility of bicrystal models under shear deformation. A grain boundary can be a source of dislocation and migrate itself at different stress levels. The intrinsic free volume involved in the grain boundary area was correlated with dislocation nucleation and GB sliding, while the dislocation nucleation mechanism can be different for a grain boundary due to its different equilibrium structures.Grain boundaries (GBs) are important microstructure features and can significantly affect the properties of nanocrystalline materials. Molecular dynamics simulation was carried out in this study to investigate the shear response and deformation mechanisms of symmetric and asymmetric Σ11<1 1 0> tilt GBs in copper bicrystals. Different deformation mechanisms were reported, depending on GB inclination angles and equilibrium GB structures, including GB migration coupled to shear deformation, GB sliding caused by local atomic shuffling, and dislocation nucleation from GB. The simulation showed that migrating Σ11(1 1 3) GB under shear can be regarded as sliding of GB dislocations and their combination along the boundary plane. A non-planar structure with dissociated intrinsic stacking faults was prevalent in Σ11 asymmetric GBs of Cu. This type of structure can significantly increase the ductility of bicrystal models under shear deformation. A grain boundary can be a source of dislocation and migrate itself at different stress levels. The intrinsic free volume involved in the grain boundary area was correlated with dislocation nucleation and GB sliding, while the dislocation nucleation mechanism can be different for a grain boundary due to its different equilibrium structures. Electronic supplementary information (ESI) available: Movies show the evolution of different grain boundaries under shear deformation: S-0, S-54.74, S-70.53-A, S-70.53-B, S-90. See DOI: 10.1039/c4nr07496c

Effect of gamma-ray irradiation on the device process-induced defects in 4H-SiC epilayers

NASA Astrophysics Data System (ADS)

Miyazaki, T.; Makino, T.; Takeyama, A.; Onoda, S.; Ohshima, T.; Tanaka, Y.; Kandori, M.; Yoshie, T.; Hijikata, Y.

2016-11-01

We investigated the gamma-ray irradiation effect on 4H-SiC device process-induced defects by photoluminescence (PL) imaging and deep level transient spectroscopy (DLTS). We found that basal plane dislocations (BPDs) that were present before the irradiation were eliminated by gamma-ray irradiation of 1 MGy. The reduction mechanism of BPD was discussed in terms of BPD-threading edge dislocation (TED) transformation and shrinkage of stacking faults. In addition, the entire PL image was gradually darkened with increasing absorbed dose, which is presumably due to the point defects generated by gamma-ray irradiation. We obtained DLTS peaks that could be assigned to complex defects, termed RD series, and found that the peaks increased with absorbed dose.

Improvement of optical quality of semipolar (11 2 ¯ 2 ) GaN on m-plane sapphire by in-situ epitaxial lateral overgrowth

NASA Astrophysics Data System (ADS)

Monavarian, Morteza; Izyumskaya, Natalia; Müller, Marcus; Metzner, Sebastian; Veit, Peter; Can, Nuri; Das, Saikat; Özgür, Ümit; Bertram, Frank; Christen, Jürgen; Morkoç, Hadis; Avrutin, Vitaliy

2016-04-01

Among the major obstacles for development of non-polar and semipolar GaN structures on foreign substrates are stacking faults which deteriorate the structural and optical quality of the material. In this work, an in-situ SiNx nano-network has been employed to achieve high quality heteroepitaxial semipolar (11 2 ¯ 2 ) GaN on m-plane sapphire with reduced stacking fault density. This approach involves in-situ deposition of a porous SiNx interlayer on GaN that serves as a nano-mask for the subsequent growth, which starts in the nanometer-sized pores (window regions) and then progresses laterally as well, as in the case of conventional epitaxial lateral overgrowth (ELO). The inserted SiNx nano-mask effectively prevents the propagation of defects, such as dislocations and stacking faults, in the growth direction and thus reduces their density in the overgrown layers. The resulting semipolar (11 2 ¯ 2 ) GaN layers exhibit relatively smooth surface morphology and improved optical properties (PL intensity enhanced by a factor of 5 and carrier lifetimes by 35% to 85% compared to the reference semipolar (11 2 ¯ 2 ) GaN layer) which approach to those of the c-plane in-situ nano-ELO GaN reference and, therefore, holds promise for light emitting and detecting devices.

Direct observation of multiple rotational stacking faults coexisting in freestanding bilayer MoS2.

PubMed

Li, Zuocheng; Yan, Xingxu; Tang, Zhenkun; Huo, Ziyang; Li, Guoliang; Jiao, Liying; Liu, Li-Min; Zhang, Miao; Luo, Jun; Zhu, Jing

2017-08-16

Electronic properties of two-dimensional (2D) MoS 2 semiconductors can be modulated by introducing specific defects. One important type of defect in 2D layered materials is known as rotational stacking fault (RSF), but the coexistence of multiple RSFs with different rotational angles was not directly observed in freestanding 2D MoS 2 before. In this report, we demonstrate the coexistence of three RSFs with three different rotational angles in a freestanding bilayer MoS 2 sheet as directly observed using an aberration-corrected transmission electron microscope (TEM). Our analyses show that these RSFs originate from cracks and dislocations within the bilayer MoS 2 . First-principles calculations indicate that RSFs with different rotational angles change the electronic structures of bilayer MoS 2 and produce two new symmetries in their bandgaps and offset crystal momentums. Therefore, employing RSFs and their coexistence is a promising route in defect engineering of MoS 2 to fabricate suitable devices for electronics, optoelectronics, and energy conversion.

Development of High Quality 4H-SiC Thick Epitaxy for Reliable High Power Electronics Using Halogenated Precursors

DTIC Science & Technology

2016-08-02

epitaxy platform, it is essential that malignant defects, such as in-grown stacking faults (IGSFs) and basal plane dislocations (BPDs), be...crystal quality. (5) Even though the inlet C/Si ratio is kept fixed , the C/Si ratio at the growth surface varies depending on the different gas...morphology, and quality (generation of additional defects). Two CVD reactor types, a chimney reactor and an inverted chimney reactor, are assembled; the

Basal-plane dislocations in bilayer graphene - Peculiarities in a quasi-2D material

NASA Astrophysics Data System (ADS)

Butz, Benjamin

2015-03-01

Dislocations represent one of the most fascinating and fundamental concepts in materials science. First and foremost, they are the main carriers of plastic deformation in crystalline materials. Furthermore, they can strongly alter the local electronic or optical properties of semiconductors and ionic crystals. In layered crystals like graphite dislocation movement is restricted to the basal plane. Thus, those basal-plane dislocations cannot escape enabling their confinement in between only two atomic layers of the material. So-called bilayer graphene is the thinnest imaginable quasi-2D crystal to explore the nature and behavior of dislocations under such extreme boundary conditions. Robust graphene membranes derived from epitaxial graphene on SiC provide an ideal platform for their investigation. The presentation will give an insight in the direct observation of basal-plane partial dislocations by transmission electron microscopy and their detailed investigation by diffraction contrast analysis and atomistic simulations. The investigation reveals striking size effects. First, the absence of stacking fault energy, a unique property of bilayer graphene, leads to a characteristic dislocation pattern, which corresponds to an alternating AB <--> BA change of the stacking order. Most importantly, our experiments in combination with atomistic simulations reveal a pronounced buckling of the bilayer graphene membrane, which directly results from accommodation of strain. In fact, the buckling completely changes the strain state of the bilayer graphene and is of key importance for its electronic/spin transport properties. Due to the high degree of disorder in our quasi-2D material it is one of the very few examples for a perfect linear magnetoresistance, i.e. the linear dependency of the in-plane electrical resistance on a magnetic field applied perpendicular to the graphene sheet up to field strengths of more than 60 T. This research is financed by the German Research Foundation through the SFB 953 ``Synthetic Carbon Allotropes.''

Peierls-Nabarro modeling of dislocations in UO2

NASA Astrophysics Data System (ADS)

Skelton, Richard; Walker, Andrew M.

2017-11-01

Under conditions of high stress or low temperature, glide of dislocations plays an important role in the deformation of UO2. In this paper, the Peierls-Nabarro model is used to calculate the core widths and Peierls stresses of ½<110> edge and screw dislocations gliding on {100}, {110}, and {111}. The energy of the inelastic displacement field in the dislocation core is parameterized using generalized stacking fault energies, which are calculated atomistically using interatomic potentials. We use seven different interatomic potential models, representing the variety of different models available for UO2. The different models broadly agree on the relative order of the strengths of the different slip systems, with the 1/2<110>{100} edge dislocation predicted to be the weakest slip system and 1/2<110>{110} the strongest. However, the calculated Peierls stresses depend strongly on the interatomic potential used, with values ranging between 2.7 and 12.9 GPa for glide of 1/2<110>{100} edge dislocations, 16.4-32.3 GPa for 1/2<110>{110} edge dislocations, and 6.8-13.6 GPa for 1/2<110>{111} edge dislocations. The glide of 1/2<110> screw dislocations in UO2 is also found to depend on the interatomic potential used, with some models predicting similar Peierls stresses for glide on {100} and {111}, while others predict a unique easy glide direction. Comparison with previous fully atomistic calculations show that the Peierls-Nabarro model can accurately predict dislocation properties in UO2.

TEM study of 〈110〉-type 35.26° dislocations specially induced by polishing of SrTiO₃ single crystals.

PubMed

Jin, L; Guo, X; Jia, C L

2013-11-01

The dislocations created by mechanical polishing of SrTiO₃ (100) single crystals were investigated by means of transmission electron microscopy (TEM) techniques combined with scanning TEM (STEM) techniques. A high density of dislocations was observed in the surface layer with a thickness of about 5 μm. These dislocations were found to be straight and highly aligned along the 〈111〉 directions. In most cases they appear in pairs or as a bundle. The nature of the dislocations was determined as mixed 〈110〉-type with the line vector t=〈111〉. They are 〈110〉-type 35.26° dislocations. The isolated 〈110〉-type 35.26° dislocations possess a compact core structure with a core spreading of ~0.5 nm. Dissociation of the dislocation occurs on the {1−10} glide plane, leading to the formation of two b=a/2〈110〉 partials separated by a stacking fault. The separation of the two partials was estimated to be 2.53 ± 0.32 nm based on a cross-correlation analysis of atomic-resolution images. Our results provide a solid experimental evidence for this special type of dislocation in SrTiO₃. The high density of straight and highly 〈111〉-orientated dislocations is expected to have an important influence on the anisotropy in electrical and mass transport properties. © 2013 Elsevier B.V. All rights reserved.

Use of hydrogen etching to remove existing dislocations in GaN epitaxial layers

NASA Astrophysics Data System (ADS)

Yeh, Yen-Hsien; Chu, Chung-Ming; Wu, Yin-Hao; Hsu, Ying-Chia; Yu, Tzu-Yi; Lee, Wei-I.

2015-08-01

In this paper, based on the anisotropic nature of hydrogen (H2) etching on GaN, we describe a new approach to the removal of threading dislocations in GaN layers. The top surfaces of c-plane (Ga-face) and a-plane GaNs are considered stable in H2; therefore, H2 etches only crystal imperfections such as dislocation and basal plane stacking fault (BSF) sites. We used H2 to etch undoped c-plane GaN, n-type c-plane GaN, a-plane GaN, and an InGaN/GaN multiple quantum well structure. Several examinations were performed, indicating deep cavities on the c-plane GaN samples after H2 etching; furthermore, gorge-like grooves were observed on the a-plane GaN samples. The deep cavities on the c-plane GaN were considered the etched dislocation sites, and the gorge-like grooves on the a-plane GaN were considered the etched BSF sites. Photoluminescence measurements were performed and the results indicated that the H2-etched samples demonstrate superior optoelectronic properties, probably because of the elimination of dislocations.

Dislocation mechanisms and 3D twin architectures generate exceptional strength-ductility-toughness combination in CrCoNi medium-entropy alloy

DOE PAGES

Zhang, Zijiao; Sheng, Hongwei; Wang, Zhangjie; ...

2017-02-20

Combinations of high strength and ductility are hard to attain in metals. Exceptions include materials exhibiting twinning-induced plasticity. To understand how the strength-ductility trade-off can be defeated, we apply in situ, and aberration-corrected scanning, transmission electron microscopy to examine deformation mechanisms in the medium-entropy alloy CrCoNi that exhibits one of the highest combinations of strength, ductility and toughness on record. Ab initio modelling suggests that it has negative stacking-fault energy at 0K and high propensity for twinning. With deformation we find that a three-dimensional (3D) hierarchical twin network forms from the activation of three twinning systems. This serves a dualmore » function: conventional twin-boundary (TB) strengthening from blockage of dislocations impinging on TBs, coupled with the 3D twin network which offers pathways for dislocation glide along, and cross-slip between, intersecting TB-matrix interfaces. The stable twin architecture is not disrupted by interfacial dislocation glide, serving as a continuous source of strength, ductility and toughness.« less

Dislocation mechanisms and 3D twin architectures generate exceptional strength-ductility-toughness combination in CrCoNi medium-entropy alloy

PubMed Central

Zhang, Zijiao; Sheng, Hongwei; Wang, Zhangjie; Gludovatz, Bernd; Zhang, Ze; George, Easo P.; Yu, Qian; Mao, Scott X.; Ritchie, Robert O.

2017-01-01

Combinations of high strength and ductility are hard to attain in metals. Exceptions include materials exhibiting twinning-induced plasticity. To understand how the strength-ductility trade-off can be defeated, we apply in situ, and aberration-corrected scanning, transmission electron microscopy to examine deformation mechanisms in the medium-entropy alloy CrCoNi that exhibits one of the highest combinations of strength, ductility and toughness on record. Ab initio modelling suggests that it has negative stacking-fault energy at 0K and high propensity for twinning. With deformation we find that a three-dimensional (3D) hierarchical twin network forms from the activation of three twinning systems. This serves a dual function: conventional twin-boundary (TB) strengthening from blockage of dislocations impinging on TBs, coupled with the 3D twin network which offers pathways for dislocation glide along, and cross-slip between, intersecting TB-matrix interfaces. The stable twin architecture is not disrupted by interfacial dislocation glide, serving as a continuous source of strength, ductility and toughness. PMID:28218267

Dislocation mechanisms and 3D twin architectures generate exceptional strength-ductility-toughness combination in CrCoNi medium-entropy alloy.

PubMed

Zhang, Zijiao; Sheng, Hongwei; Wang, Zhangjie; Gludovatz, Bernd; Zhang, Ze; George, Easo P; Yu, Qian; Mao, Scott X; Ritchie, Robert O

2017-02-20

Combinations of high strength and ductility are hard to attain in metals. Exceptions include materials exhibiting twinning-induced plasticity. To understand how the strength-ductility trade-off can be defeated, we apply in situ, and aberration-corrected scanning, transmission electron microscopy to examine deformation mechanisms in the medium-entropy alloy CrCoNi that exhibits one of the highest combinations of strength, ductility and toughness on record. Ab initio modelling suggests that it has negative stacking-fault energy at 0K and high propensity for twinning. With deformation we find that a three-dimensional (3D) hierarchical twin network forms from the activation of three twinning systems. This serves a dual function: conventional twin-boundary (TB) strengthening from blockage of dislocations impinging on TBs, coupled with the 3D twin network which offers pathways for dislocation glide along, and cross-slip between, intersecting TB-matrix interfaces. The stable twin architecture is not disrupted by interfacial dislocation glide, serving as a continuous source of strength, ductility and toughness.

Constitutive relations for determining the critical conditions for dynamic recrystallization behavior

NASA Astrophysics Data System (ADS)

Choe, J. I.

2016-04-01

A series mathematical model has been developed for the prediction of flow stress and microstructure evolution during the hot deformation of metals such as copper or austenitic steels with low stacking fault energies, involving features of both diffusional flow and dislocation motion. As the strain rate increases, multiple peaks on the stress-strain curve decrease. At a high strain rate, the stress rises to a single peak, while dynamic recrystallization causes an oscillatory behavior. At a low strain rate (when there is sufficient time for the recrystallizing grains to grow before they become saturated with high dislocation density with an increase in strain rate), the difference in stored stress between recrystallizing and old grains diminishes, resulting in reduced driving force for grain growth and rendering smaller grains in the alloy. The final average grain size at the steady stage (large strain) increases with a decrease in the strain rate. During large strain deformation, grain size reduction accompanying dislocation creep might be balanced by the grain growth at the border delimiting the ranges of realization (field boundary) of the dislocation-creep and diffusion-creep mechanisms.

Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy.

PubMed

Okamoto, Norihiko L; Fujimoto, Shu; Kambara, Yuki; Kawamura, Marino; Chen, Zhenghao M T; Matsunoshita, Hirotaka; Tanaka, Katsushi; Inui, Haruyuki; George, Easo P

2016-10-24

High-entropy alloys (HEAs) comprise a novel class of scientifically and technologically interesting materials. Among these, equatomic CrMnFeCoNi with the face-centered cubic (FCC) structure is noteworthy because its ductility and strength increase with decreasing temperature while maintaining outstanding fracture toughness at cryogenic temperatures. Here we report for the first time by single-crystal micropillar compression that its bulk room temperature critical resolved shear stress (CRSS) is ~33-43 MPa, ~10 times higher than that of pure nickel. CRSS depends on pillar size with an inverse power-law scaling exponent of -0.63 independent of orientation. Planar ½ < 110 > {111} dislocations dissociate into Shockley partials whose separations range from ~3.5-4.5 nm near the screw orientation to ~5-8 nm near the edge, yielding a stacking fault energy of 30 ± 5 mJ/m 2 . Dislocations are smoothly curved without any preferred line orientation indicating no significant anisotropy in mobilities of edge and screw segments. The shear-modulus-normalized CRSS of the HEA is not exceptionally high compared to those of certain concentrated binary FCC solid solutions. Its rough magnitude calculated using the Fleischer/Labusch models corresponds to that of a hypothetical binary with the elastic constants of our HEA, solute concentrations of 20-50 at.%, and atomic size misfit of ~4%.

Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy

PubMed Central

Okamoto, Norihiko L.; Fujimoto, Shu; Kambara, Yuki; Kawamura, Marino; Chen, Zhenghao M. T.; Matsunoshita, Hirotaka; Tanaka, Katsushi; Inui, Haruyuki; George, Easo P.

2016-01-01

High-entropy alloys (HEAs) comprise a novel class of scientifically and technologically interesting materials. Among these, equatomic CrMnFeCoNi with the face-centered cubic (FCC) structure is noteworthy because its ductility and strength increase with decreasing temperature while maintaining outstanding fracture toughness at cryogenic temperatures. Here we report for the first time by single-crystal micropillar compression that its bulk room temperature critical resolved shear stress (CRSS) is ~33–43 MPa, ~10 times higher than that of pure nickel. CRSS depends on pillar size with an inverse power-law scaling exponent of –0.63 independent of orientation. Planar ½ < 110 > {111} dislocations dissociate into Shockley partials whose separations range from ~3.5–4.5 nm near the screw orientation to ~5–8 nm near the edge, yielding a stacking fault energy of 30 ± 5 mJ/m2. Dislocations are smoothly curved without any preferred line orientation indicating no significant anisotropy in mobilities of edge and screw segments. The shear-modulus-normalized CRSS of the HEA is not exceptionally high compared to those of certain concentrated binary FCC solid solutions. Its rough magnitude calculated using the Fleischer/Labusch models corresponds to that of a hypothetical binary with the elastic constants of our HEA, solute concentrations of 20–50 at.%, and atomic size misfit of ~4%. PMID:27775026

Cross-slip in face-centered cubic metals: a general Escaig stress-dependent activation energy line tension model

NASA Astrophysics Data System (ADS)

Malka-Markovitz, Alon; Mordehai, Dan

2018-02-01

Cross-slip is a dislocation mechanism by which screw dislocations can change their glide plane. This thermally activated mechanism is an important mechanism in plasticity and understanding the energy barrier for cross-slip is essential to construct reliable cross-slip rules in dislocation models. In this work, we employ a line tension model for cross-slip of screw dislocations in face-centred cubic (FCC) metals in order to calculate the energy barrier under Escaig stresses. The analysis shows that the activation energy is proportional to the stacking fault energy, the unstressed dissociation width and a typical length for cross-slip along the dislocation line. Linearisation of the interaction forces between the partial dislocations yields that this typical length is related to the dislocation length that bows towards constriction during cross-slip. We show that the application of Escaig stresses on both the primary and the cross-slip planes varies the typical length for cross-slip and we propose a stress-dependent closed form expression for the activation energy for cross-slip in a large range of stresses. This analysis results in a stress-dependent activation volume, corresponding to the typical volume surrounding the stressed dislocation at constriction. The expression proposed here is shown to be in agreement with previous models, and to capture qualitatively the essentials found in atomistic simulations. The activation energy function can be easily implemented in dislocation dynamics simulations, owing to its simplicity and universality.

Dislocation pileup as a representation of strain accumulation on a strike-slip fault

USGS Publications Warehouse

Savage, J.C.

2006-01-01

The conventional model of strain accumulation on a vertical transform fault is a discrete screw dislocation in an elastic half-space with the Burgers vector of the dislocation increasing at the rate of relative plate motion. It would be more realistic to replace that discrete dislocation by a dislocation distribution, presumably a pileup in which the individual dislocations are in equilibrium. The length of the pileup depends upon the applied stress and the amount of slip that has occurred at depth. I argue here that the dislocation pileup (the transition on the fault from no slip to slip at the full plate rate) occupies a substantial portion of the lithosphere thickness. A discrete dislocation at an adjustable depth can reproduce the surface deformation profile predicted by a pileup so closely that it will be difficult to distinguish between the two models. The locking depth (dislocation depth) of that discrete dislocation approximation is substantially (???30%) larger than that (depth to top of the pileup) in the pileup model. Thus, in inverting surface deformation data using the discrete dislocation model, the locking depth in the model should not be interpreted as the true locking depth. Although dislocation pileup models should provide a good explanation of the surface deformation near the fault trace, that explanation may not be adequate at greater distances from the fault trace because approximating the expected horizontally distributed deformation at subcrustal depths by uniform slip concentrated on the fault is not justified.

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

Zhang, Zijiao; Sheng, Hongwei; Wang, Zhangjie

Combinations of high strength and ductility are hard to attain in metals. Exceptions include materials exhibiting twinning-induced plasticity. To understand how the strength-ductility trade-off can be defeated, we apply in situ, and aberration-corrected scanning, transmission electron microscopy to examine deformation mechanisms in the medium-entropy alloy CrCoNi that exhibits one of the highest combinations of strength, ductility and toughness on record. Ab initio modelling suggests that it has negative stacking-fault energy at 0K and high propensity for twinning. With deformation we find that a three-dimensional (3D) hierarchical twin network forms from the activation of three twinning systems. This serves a dualmore » function: conventional twin-boundary (TB) strengthening from blockage of dislocations impinging on TBs, coupled with the 3D twin network which offers pathways for dislocation glide along, and cross-slip between, intersecting TB-matrix interfaces. The stable twin architecture is not disrupted by interfacial dislocation glide, serving as a continuous source of strength, ductility and toughness.« less

Shock compression of [001] single crystal silicon

DOE PAGES

Zhao, S.; Remington, B.; Hahn, E. N.; ...

2016-03-14

Silicon is ubiquitous in our advanced technological society, yet our current understanding of change to its mechanical response at extreme pressures and strain-rates is far from complete. This is due to its brittleness, making recovery experiments difficult. High-power, short-duration, laser-driven, shock compression and recovery experiments on [001] silicon (using impedance-matched momentum traps) unveiled remarkable structural changes observed by transmission electron microscopy. As laser energy increases, corresponding to an increase in peak shock pressure, the following plastic responses are are observed: surface cleavage along {111} planes, dislocations and stacking faults; bands of amorphized material initially forming on crystallographic orientations consistent withmore » dislocation slip; and coarse regions of amorphized material. Molecular dynamics simulations approach equivalent length and time scales to laser experiments and reveal the evolution of shock-induced partial dislocations and their crucial role in the preliminary stages of amorphization. Furthermore, application of coupled hydrostatic and shear stresses produce amorphization below the hydrostatically determined critical melting pressure under dynamic shock compression.« less

Flow stress model in metal cutting

NASA Technical Reports Server (NTRS)

Black, J. T.

1978-01-01

A model for the plastic deformation that occurs in metal cutting, based on dislocation mechanics, is presented. The model explains the fundamental deformation structure that develops during machining and is based on the well known Cottrell-Stokes Law, wherein the flow stress is partitioned into two parts; an athermal part which occurs in the shear fronts (or shear bands); and a thermal part which occurs in the lamella regions. The deformation envokes the presence of a cellular dislocation distribution which always exists in the material ahead of the shear process. This 'alien' dislocation distribution either exists in the metal prior to cutting or is produced by the compressive stress field which operates in front of the shear process. The magnitude of the flow stress and direction of the shear are shown to be correlated to the stacking fault energy of the metal being cut. The model is tested with respect to energy consumption rates and found to be consistent with observed values.

Shock compression of [001] single crystal silicon

NASA Astrophysics Data System (ADS)

Zhao, S.; Hahn, E. N.; Kad, B.; Remington, B. A.; Bringa, E. M.; Meyers, M. A.

2016-05-01

Silicon is ubiquitous in our advanced technological society, yet our current understanding of change to its mechanical response at extreme pressures and strain-rates is far from complete. This is due to its brittleness, making recovery experiments difficult. High-power, short-duration, laser-driven, shock compression and recovery experiments on [001] silicon (using impedance-matched momentum traps) unveiled remarkable structural changes observed by transmission electron microscopy. As laser energy increases, corresponding to an increase in peak shock pressure, the following plastic responses are are observed: surface cleavage along {111} planes, dislocations and stacking faults; bands of amorphized material initially forming on crystallographic orientations consistent with dislocation slip; and coarse regions of amorphized material. Molecular dynamics simulations approach equivalent length and time scales to laser experiments and reveal the evolution of shock-induced partial dislocations and their crucial role in the preliminary stages of amorphization. Application of coupled hydrostatic and shear stresses produce amorphization below the hydrostatically determined critical melting pressure under dynamic shock compression.

Super-strengthening and stabilizing with carbon nanotube harnessed high density nanotwins in metals by shock loading

PubMed Central

Lin, Dong; Saei, Mojib; Suslov, Sergey; Jin, Shengyu; Cheng, Gary J.

2015-01-01

CNTs reinforced metal composites has great potential due to their superior properties, such as light weight, high strength, low thermal expansion and high thermal conductivity. The current strengthening mechanisms of CNT/metal composite mainly rely on CNTs’ interaction with dislocations and CNT’s intrinsic high strength. Here we demonstrated that laser shock loading the CNT/metal composite results in high density nanotwins, stacking fault, dislocation around the CNT/metal interface. The composites exhibit enhanced strength with excellent stability. The results are interpreted by both molecular dynamics simulation and experiments. It is found the shock wave interaction with CNTs induces a stress field, much higher than the applied shock pressure, surrounding the CNT/metal interface. As a result, nanotwins were nucleated under a shock pressure much lower than the critical values to generate twins in metals. This hybrid unique nanostructure not only enhances the strength, but also stabilize the strength, as the nanotwin boundaries around the CNTs help pin the dislocation movement. PMID:26493533

Remarks on the Particular Behavior in Martensitic Phase Transition in Cu-Based and Ni-Ti Shape Memory Alloys

NASA Astrophysics Data System (ADS)

Torra, Vicenç; Martorell, Ferran; Lovey, Francisco C.; Sade, Marcos

2018-05-01

Many macroscopic behaviors of the martensitic transformations are difficult to explain in the frame of the classical first-order phase transformations, without including the role of point and crystallographic defects (dislocations, stacking faults, interfaces, precipitates). A few major examples are outlined in the present study. First, the elementary reason for thermoelasticity and pseudoelasticity in single crystals of Cu-Zn-Al (β-18R transformation) arises from the interaction of a growing martensite plate with the existing dislocations in the material. Secondly, in Cu-Al-Ni, the twinned hexagonal (γ') martensite produces dislocations inhibiting this transformation and favoring the appearance of 18R in subsequent transformation cycles. Thirdly, single crystals of Cu-Al-Be visualize, via enhanced stress, a transformation primarily to 18R, a structural distortion of the 18R structure, and an additional transformation to another martensitic phase (i.e., 6R) with an increased strain. A dynamic behavior in Ni-Ti is also analyzed, where defects alter the pseudoelastic behavior after cycling.

Non-destructive Detection of Screw Dislocations and the Corresponding Defects Nucleated from Them During SiC Epitaxial Growth and Their Effect on Device Characteristics

NASA Astrophysics Data System (ADS)

Das, H.; Sunkari, S.; Naas, H.

2018-06-01

In high-volume manufacturing of SiC power devices like Schottky barrier diodes and MOSFETs, especially with the high demands of high reliability applications like the automotive market, the issue of reliability needs to be tackled from multiple angles. It becomes important to isolate and eliminate failure mechanisms at the source rather than just rely on electrical tests. As we enter volume production on 150-mm substrates, an added layer of reliability and improved yield can be added if potential sources of defects are identified and removed. In this work, we present the non-destructive detection of a subset of screw dislocations in N+ doped substrates, trace the preferential nucleation of V-type epitaxial defects and stacking faults from these screw dislocations, and study their electrical effects on Schottky diodes. This enables the screening of highly defective substrates even before committing them to epitaxial growth.

Analysis of synthetic diamond single crystals by X-ray topography and double-crystal diffractometry

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

Prokhorov, I. A., E-mail: igor.prokhorov@mail.ru; Ralchenko, V. G.; Bolshakov, A. P.

2013-12-15

Structural features of diamond single crystals synthesized under high pressure and homoepitaxial films grown by chemical vapor deposition (CVD) have been analyzed by double-crystal X-ray diffractometry and topography. The conditions of a diffraction analysis of diamond crystals using Ge monochromators have been optimized. The main structural defects (dislocations, stacking faults, growth striations, second-phase inclusions, etc.) formed during crystal growth have been revealed. The nitrogen concentration in high-pressure/high-temperature (HPHT) diamond substrates is estimated based on X-ray diffraction data. The formation of dislocation bundles at the film-substrate interface in the epitaxial structures has been revealed by plane-wave topography; these dislocations are likelymore » due to the relaxation of elastic macroscopic stresses caused by the lattice mismatch between the substrate and film. The critical thicknesses of plastic relaxation onset in CVD diamond films are calculated. The experimental techniques for studying the real diamond structure in optimizing crystal-growth technology are proven to be highly efficient.« less

Formation mechanism of fivefold deformation twins in a face-centered cubic alloy.

PubMed

Zhang, Zhenyu; Huang, Siling; Chen, Leilei; Zhu, Zhanwei; Guo, Dongming

2017-03-28

The formation mechanism considers fivefold deformation twins originating from the grain boundaries in a nanocrystalline material, resulting in that fivefold deformation twins derived from a single crystal have not been reported by molecular dynamics simulations. In this study, fivefold deformation twins are observed in a single crystal of face-centered cubic (fcc) alloy. A new formation mechanism is proposed for fivefold deformation twins in a single crystal. A partial dislocation is emitted from the incoherent twin boundaries (ITBs) with high energy, generating a stacking fault along {111} plane, and resulting in the nucleating and growing of a twin by the successive emission of partials. A node is fixed at the intersecting center of the four different slip {111} planes. With increasing stress under the indentation, ITBs come into being close to the node, leading to the emission of a partial from the node. This generates a stacking fault along a {111} plane, nucleating and growing a twin by the continuous emission of the partials. This process repeats until the formation of fivefold deformation twins.

Effect of Gas Tungsten Arc Welding Parameters on Hydrogen-Assisted Cracking of Type 321 Stainless Steel

NASA Astrophysics Data System (ADS)

Rozenak, Paul; Unigovski, Yaakov; Shneck, Roni

2016-05-01

The susceptibility of AISI type 321 stainless steel welded by the gas tungsten arc welding (GTAW) process to hydrogen-assisted cracking (HAC) was studied in a tensile test combined with in situ cathodic charging. Specimen charging causes a decrease in ductility of both the as-received and welded specimens. The mechanical properties of welds depend on welding parameters. For example, the ultimate tensile strength and ductility increase with growing shielding gas (argon) rate. More severe decrease in the ductility was obtained after post-weld heat treatment (PWHT). In welded steels, in addition to discontinuous grain boundary carbides (M23C6) and dense distribution of metal carbides MC ((Ti, Nb)C) precipitated in the matrix, the appearance of delta-ferrite phase was observed. The fracture of sensitized specimens was predominantly intergranular, whereas the as-welded specimens exhibited mainly transgranular regions. High-dislocation density regions and stacking faults were found in delta-ferrite formed after welding. Besides, thin stacking fault plates and epsilon-martensite were found in the austenitic matrix after the cathodic charging.

Formation mechanism of fivefold deformation twins in a face-centered cubic alloy

NASA Astrophysics Data System (ADS)

Zhang, Zhenyu; Huang, Siling; Chen, Leilei; Zhu, Zhanwei; Guo, Dongming

2017-03-01

The formation mechanism considers fivefold deformation twins originating from the grain boundaries in a nanocrystalline material, resulting in that fivefold deformation twins derived from a single crystal have not been reported by molecular dynamics simulations. In this study, fivefold deformation twins are observed in a single crystal of face-centered cubic (fcc) alloy. A new formation mechanism is proposed for fivefold deformation twins in a single crystal. A partial dislocation is emitted from the incoherent twin boundaries (ITBs) with high energy, generating a stacking fault along {111} plane, and resulting in the nucleating and growing of a twin by the successive emission of partials. A node is fixed at the intersecting center of the four different slip {111} planes. With increasing stress under the indentation, ITBs come into being close to the node, leading to the emission of a partial from the node. This generates a stacking fault along a {111} plane, nucleating and growing a twin by the continuous emission of the partials. This process repeats until the formation of fivefold deformation twins.

Generating gradient germanium nanostructures by shock-induced amorphization and crystallization

PubMed Central

Zhao, Shiteng; Kad, Bimal; Wehrenberg, Christopher E.; Remington, Bruce A.; Hahn, Eric N.; More, Karren L.; Meyers, Marc A.

2017-01-01

Gradient nanostructures are attracting considerable interest due to their potential to obtain superior structural and functional properties of materials. Applying powerful laser-driven shocks (stresses of up to one-third million atmospheres, or 33 gigapascals) to germanium, we report here a complex gradient nanostructure consisting of, near the surface, nanocrystals with high density of nanotwins. Beyond there, the structure exhibits arrays of amorphous bands which are preceded by planar defects such as stacking faults generated by partial dislocations. At a lower shock stress, the surface region of the recovered target is completely amorphous. We propose that germanium undergoes amorphization above a threshold stress and that the deformation-generated heat leads to nanocrystallization. These experiments are corroborated by molecular dynamics simulations which show that supersonic partial dislocation bursts play a role in triggering the crystalline-to-amorphous transition. PMID:28847926

Generating gradient germanium nanostructures by shock-induced amorphization and crystallization.

PubMed

Zhao, Shiteng; Kad, Bimal; Wehrenberg, Christopher E; Remington, Bruce A; Hahn, Eric N; More, Karren L; Meyers, Marc A

2017-09-12

Gradient nanostructures are attracting considerable interest due to their potential to obtain superior structural and functional properties of materials. Applying powerful laser-driven shocks (stresses of up to one-third million atmospheres, or 33 gigapascals) to germanium, we report here a complex gradient nanostructure consisting of, near the surface, nanocrystals with high density of nanotwins. Beyond there, the structure exhibits arrays of amorphous bands which are preceded by planar defects such as stacking faults generated by partial dislocations. At a lower shock stress, the surface region of the recovered target is completely amorphous. We propose that germanium undergoes amorphization above a threshold stress and that the deformation-generated heat leads to nanocrystallization. These experiments are corroborated by molecular dynamics simulations which show that supersonic partial dislocation bursts play a role in triggering the crystalline-to-amorphous transition.

Creep deformation mechanism mapping in nickel base disk superalloys

DOE PAGES

Smith, Timothy M.; Unocic, Raymond R.; Deutchman, Hallee; ...

2016-05-10

We investigated the creep deformation mechanisms at intermediate temperature in ME3, a modern Ni-based disk superalloy, using diffraction contrast imaging. Both conventional transmission electron microscopy (TEM) and scanning TEM were utilised. Distinctly different deformation mechanisms become operative during creep at temperatures between 677-815 °C and at stresses ranging from 274 to 724 MPa. Both polycrystalline and single-crystal creep tests were conducted. The single-crystal tests provide new insight into grain orientation effects on creep response and deformation mechanisms. Creep at lower temperatures (≤760 °C) resulted in the thermally activated shearing modes such as microtwinning, stacking fault ribbons and isolated superlattice extrinsicmore » stacking faults. In contrast, these faulting modes occurred much less frequently during creep at 815 °C under lower applied stresses. Instead, the principal deformation mode was dislocation climb bypass. In addition to the difference in creep behaviour and creep deformation mechanisms as a function of stress and temperature, it was also observed that microstructural evolution occurs during creep at 760 °C and above, where the secondary coarsened and the tertiary precipitates dissolved. Based on this work, a creep deformation mechanism map is proposed, emphasising the influence of stress and temperature on the underlying creep mechanisms.« less

Reversible loss of Bernal stacking during the deformation of few-layer graphene in nanocomposites.

PubMed

Gong, Lei; Young, Robert J; Kinloch, Ian A; Haigh, Sarah J; Warner, Jamie H; Hinks, Jonathan A; Xu, Ziwei; Li, Li; Ding, Feng; Riaz, Ibtsam; Jalil, Rashid; Novoselov, Kostya S

2013-08-27

The deformation of nanocomposites containing graphene flakes with different numbers of layers has been investigated with the use of Raman spectroscopy. It has been found that there is a shift of the 2D band to lower wavenumber and that the rate of band shift per unit strain tends to decrease as the number of graphene layers increases. It has been demonstrated that band broadening takes place during tensile deformation for mono- and bilayer graphene but that band narrowing occurs when the number of graphene layers is more than two. It is also found that the characteristic asymmetric shape of the 2D Raman band for the graphene with three or more layers changes to a symmetrical shape above about 0.4% strain and that it reverts to an asymmetric shape on unloading. This change in Raman band shape and width has been interpreted as being due to a reversible loss of Bernal stacking in the few-layer graphene during deformation. It has been shown that the elastic strain energy released from the unloading of the inner graphene layers in the few-layer material (~0.2 meV/atom) is similar to the accepted value of the stacking fault energies of graphite and few layer graphene. It is further shown that this loss of Bernal stacking can be accommodated by the formation of arrays of partial dislocations and stacking faults on the basal plane. The effect of the reversible loss of Bernal stacking upon the electronic structure of few-layer graphene and the possibility of using it to modify the electronic structure of few-layer graphene are discussed.

Reversible Loss of Bernal Stacking during the Deformation of Few-Layer Graphene in Nanocomposites

PubMed Central

2013-01-01

The deformation of nanocomposites containing graphene flakes with different numbers of layers has been investigated with the use of Raman spectroscopy. It has been found that there is a shift of the 2D band to lower wavenumber and that the rate of band shift per unit strain tends to decrease as the number of graphene layers increases. It has been demonstrated that band broadening takes place during tensile deformation for mono- and bilayer graphene but that band narrowing occurs when the number of graphene layers is more than two. It is also found that the characteristic asymmetric shape of the 2D Raman band for the graphene with three or more layers changes to a symmetrical shape above about 0.4% strain and that it reverts to an asymmetric shape on unloading. This change in Raman band shape and width has been interpreted as being due to a reversible loss of Bernal stacking in the few-layer graphene during deformation. It has been shown that the elastic strain energy released from the unloading of the inner graphene layers in the few-layer material (∼0.2 meV/atom) is similar to the accepted value of the stacking fault energies of graphite and few layer graphene. It is further shown that this loss of Bernal stacking can be accommodated by the formation of arrays of partial dislocations and stacking faults on the basal plane. The effect of the reversible loss of Bernal stacking upon the electronic structure of few-layer graphene and the possibility of using it to modify the electronic structure of few-layer graphene are discussed. PMID:23899378

Size effect on the deformation mechanisms of nanocrystalline platinum thin films.

PubMed

Shu, Xinyu; Kong, Deli; Lu, Yan; Long, Haibo; Sun, Shiduo; Sha, Xuechao; Zhou, Hao; Chen, Yanhui; Mao, Shengcheng; Liu, Yinong

2017-10-16

This paper reports a study of time-resolved deformation process at the atomic scale of a nanocrystalline Pt thin film captured in situ under a transmission electron microscope. The main mechanism of plastic deformation was found to evolve from full dislocation activity-enabled plasticity in large grains (with grain size d > 10 nm), to partial dislocation plasticity in smaller grains (with grain size 10 nm < d < 6 nm), and grain boundary-mediated plasticity in the matrix with grain sizes d < 6 nm. The critical grain size for the transition from full dislocation activity to partial dislocation activity was estimated based on consideration of stacking fault energy. For grain boundary-mediated plasticity, the possible contributions to strain rate of grain creep, grain sliding and grain rotation to plastic deformation were estimated using established models. The contribution of grain creep is found to be negligible, the contribution of grain rotation is effective but limited in magnitude, and grain sliding is suggested to be the dominant deformation mechanism in nanocrystalline Pt thin films. This study provided the direct evidence of these deformation processes at the atomic scale.

Multi-scale Investigation on Microstructure, Mechanical Properties, and Deformation Mechanisms in Mg Alloys

NASA Astrophysics Data System (ADS)

Zhang, Dalong

Mg and its alloys are promising candidates for light-weight structural applications, e.g., aircraft, automobile, electronic, etc. However, the inherent hexagonal close packed crystal structure makes the deformation of Mg anisotropic, namely deformation only occurs predominantly by dislocation slip in the close-packed (0001) plane (i.e., basal plane), or by deformation twinning in {101¯2} planes. Both basal slip and twinning cause the crystal to re-orient. Consequently, polycrystalline Mg alloys that have undergone thermomechanical processing usually contain strong texture, i.e., preferred crystallographic orientation in grains. The texture in turn leads to anisotropic deformation in wrought Mg alloys. For example, in extruded Mg alloys, the compressive yield strength is usually much lower than the tensile yield strength (so-called yield asymmetry and strength differential). It is the anisotropy that hinders the broader application of Mg alloys. Recent modeling studies on Mg predict that certain alloying elements, particularly rare-earth elements (e.g., Y, Ce, Nd, Gd, etc.), could alter the active deformation modes and enhance homogeneous deformation and overall mechanical properties in Mg. Therefore, the objective of this dissertation research is to investigate experimentally the effects of alloying element Y in reducing the intrinsic and extrinsic anisotropy, modifying texture, and enhancing the overall strength and ductility for Mg. In addition, the research also uncovered some unexpected "side effects" of Y and these phenomena were studied and explained from a fundamental perspective. The methodology used in this work is described as follows. Ultrafine grained Mg 2.5 at.% Y alloy (UFG Mg-2.5Y) was prepared by powder metallurgy method, including gas atomization for producing Mg-2.5Y powder, degassing and hot isostatic pressing (HIP), and hot extrusion. Both the as-HIPed and the as-extruded materials were characterized by electron back-scattered diffraction (EBSD), transmission electron microscopy (TEM), and/or atom probe tomography (APT). It is noted that different configurations of stacking faults (all in basal plane, i.e., basal stacking faults, BSFs for short) were observed in the as-extruded Mg-2.5Y, whereas no BSFs were documented in the as-HIPed alloy. Feasible models to explain the formation of BSFs were proposed based on the activity of different dislocations. Tension and compression tests were carried out along the extrusion direction (ED) for UFG Mg-2.5Y. Unlike common Mg alloys exhibiting yield asymmetry, the UFG Mg-2.5Y exhibits yield "symmetry" and significantly reduced strength differential. Namely, the deformation is more isotropic. In addition to post-mortem TEM characterization for deformed UFG Mg-2.5Y, in-situ TEM was also performed, in an effort to understand the fundamental deformation mechanisms in UFG Mg-Y that lead to reduced anisotropy. In-situ TEM for single-crystal Mg-Y nano-pillars reveals that deformation twinning is replaced by dislocation slip in non-basal planes (i.e., prismatic planes), which diametrically differs from any other Mg alloys. However, it is noted that deformation twinning still occurs in the polycrystalline UFG Mg-2.5Y occasionally, and a new type of stacking faults (i.e., prismatic stacking faults, PSFs for short) may be present in the vicinity of twins. Feasible mechanisms explaining the formation of PSFs are proposed.

Influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures and lattice defects accumulation

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

Sedao, Xxx; Garrelie, Florence, E-mail: florence.garrelie@univ-st-etienne.fr; Colombier, Jean-Philippe

2014-04-28

The influence of crystal orientation on the formation of femtosecond laser-induced periodic surface structures (LIPSS) has been investigated on a polycrystalline nickel sample. Electron Backscatter Diffraction characterization has been exploited to provide structural information within the laser spot on irradiated samples to determine the dependence of LIPSS formation and lattice defects (stacking faults, twins, dislocations) upon the crystal orientation. Significant differences are observed at low-to-medium number of laser pulses, outstandingly for (111)-oriented surface which favors lattice defects formation rather than LIPSS formation.

Generating gradient germanium nanostructures by shock-induced amorphization and crystallization

DOE PAGES

Zhao, Shiteng; Kad, Bimal; Wehrenberg, Christopher E.; ...

2017-08-28

Gradient nanostructures are attracting considerable interest due to their potential to obtain superior structural and functional properties of materials. Applying powerful laser-driven shocks (stresses of up to one-third million atmospheres, or 33 gigapascals) to germanium, we report a complex gradient nanostructure consisting of, near the surface, nanocrystals with high density of nanotwins. Beyond there, the structure exhibits arrays of amorphous bands which are preceded by planar defects such as stacking faults generated by partial dislocations. At a lower shock stress, the surface region of the recovered target is completely amorphous. Here, we propose that germanium undergoes amorphization above a thresholdmore » stress and that the deformation-generated heat leads to nanocrystallization. These experiments are corroborated by molecular dynamics simulations which show that supersonic partial dislocation bursts play a role in triggering the crystalline-to-amorphous transition.« less

Damage-tolerant nanotwinned metals with nanovoids under radiation environments

PubMed Central

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

2015-01-01

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

Damage-tolerant nanotwinned metals with nanovoids under radiation environments.

PubMed

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

2015-04-24

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

Synchrotron X-ray topography of electronic materials.

PubMed

Tuomi, T

2002-05-01

Large-area transmission, transmission section, large-area back-reflection, back-reflection section and grazing-incidence topography are the geometries used when recording high-resolution X-ray diffraction images with synchrotron radiation from a bending magnet, a wiggler or an undulator of an electron or a positron storage ring. Defect contrast can be kinematical, dynamical or orientational even in the topographs recorded on the same film at the same time. In this review article limited to static topography experiments, examples of defect studies on electronic materials cover the range from voids and precipitates in almost perfect float-zone and Czochralski silicon, dislocations in gallium arsenide grown by the liquid-encapsulated Czochralski technique, the vapour-pressure controlled Czochralski technique and the vertical-gradient freeze technique, stacking faults and micropipes in silicon carbide to misfit dislocations in epitaxic heterostructures. It is shown how synchrotron X-ray topographs of epitaxic laterally overgrown gallium arsenide layer structures are successfully explained by orientational contrast.

Damage-tolerant nanotwinned metals with nanovoids under radiation environments

DOE PAGES

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

2015-04-24

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

Generating gradient germanium nanostructures by shock-induced amorphization and crystallization

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

Zhao, Shiteng; Kad, Bimal; Wehrenberg, Christopher E.

Gradient nanostructures are attracting considerable interest due to their potential to obtain superior structural and functional properties of materials. Applying powerful laser-driven shocks (stresses of up to one-third million atmospheres, or 33 gigapascals) to germanium, we report a complex gradient nanostructure consisting of, near the surface, nanocrystals with high density of nanotwins. Beyond there, the structure exhibits arrays of amorphous bands which are preceded by planar defects such as stacking faults generated by partial dislocations. At a lower shock stress, the surface region of the recovered target is completely amorphous. Here, we propose that germanium undergoes amorphization above a thresholdmore » stress and that the deformation-generated heat leads to nanocrystallization. These experiments are corroborated by molecular dynamics simulations which show that supersonic partial dislocation bursts play a role in triggering the crystalline-to-amorphous transition.« less

Strain relaxation in epitaxial GaAs/Si (0 0 1) nanostructures

NASA Astrophysics Data System (ADS)

Kozak, Roksolana; Prieto, Ivan; Arroyo Rojas Dasilva, Yadira; Erni, Rolf; Skibitzki, Oliver; Capellini, Giovanni; Schroeder, Thomas; von Känel, Hans; Rossell, Marta D.

2017-11-01

Crystal defects, present in 100 nm GaAs nanocrystals grown by metal organic vapour phase epitaxy on top of (0 0 1)-oriented Si nanotips (with a tip opening 50-90 nm), have been studied by means of high-resolution aberration-corrected high-angle annular dark-field scanning transmission electron microscopy. The role of 60° perfect, 30° and 90° Shockley partial misfit dislocations (MDs) in the plastic strain relaxation of GaAs on Si is discussed. Formation conditions of stair-rod dislocations and coherent twin boundaries in the GaAs nanocrystals are explained. Also, although stacking faults are commonly observed, we show here that synthesis of GaAs nanocrystals with a minimum number of these defects is possible. On the other hand, from the number of MDs, we have to conclude that the GaAs nanoparticles are fully relaxed plastically, such that for the present tip sizes no substrate compliance can be observed.

Defect structure in electrodeposited nanocrystalline Ni layers with different Mo concentrations

NASA Astrophysics Data System (ADS)

Kapoor, Garima; Péter, László; Fekete, Éva; Gubicza, Jenő

2018-05-01

The effect of molybdenum (Mo) alloying on the lattice defect structure in electrodeposited nanocrystalline nickel (Ni) films was studied. The electrodeposited layers were prepared on copper substrate at room temperature, with a constant current density and pH value. The chemical composition of these layers was determined by EDS. In addition, X-ray diffraction line profile analysis was carried out to study the microstructural parameters such as the crystallite size, the dislocation density and the stacking fault probability. It was found that the higher Mo content yielded more than one order of magnitude larger dislocation density while the crystallite size was only slightly smaller. In addition, the twin boundary formation activity during deposition increased with increasing Mo concentration. The results obtained on electrodeposited layers were compared with previous research carried out on bulk nanocrystalline Ni-Mo materials with similar compositions but processed by severe plastic deformation.

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

Shao, Shuai; Wang, Jian

In this work, using the Cu–Ni (111) semi-coherent interface as a model system, we combine atomistic simulations and defect theory to reveal the relaxation mechanisms, structure, and properties of semi-coherent interfaces. By calculating the generalized stacking fault energy (GSFE) profile of the interface, two stable structures and a high-energy structure are located. During the relaxation, the regions that possess the stable structures expand and develop into coherent regions; the regions with high-energy structure shrink into the intersection of misfit dislocations (nodes). This process reduces the interface excess potential energy but increases the core energy of the misfit dislocations and nodes.more » The core width is dependent on the GSFE of the interface. The high-energy structure relaxes by relative rotation and dilatation between the crystals. The relative rotation is responsible for the spiral pattern at nodes. The relative dilatation is responsible for the creation of free volume at nodes, which facilitates the nodes’ structural transformation. Several node structures have been observed and analyzed. In conclusion, the various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies.« less

Analysis of Dislocation Emission during Microvoid Growth in Ductile Metals

NASA Astrophysics Data System (ADS)

Belak, James; Rudd, Robert E.

2001-03-01

Fracture in ductile metals occurs through the nucleation and growth of microscopic voids. This talk focuses on the initial stage when dislocations are first emitted from the void surface. The model system consists of a spherical void in an otherwise perfect crystal under triaxial tension. The stress field is calculated using continuum techniques, both finite element and analytic forms due to Eshelby, and compared with large-scale molecular dynamics (MD) simulation. The stress field is used to derive a criterion for dislocation nucleation on the glide planes intersecting the void surface. The critical resolved shear stress and the unstable stacking fault energy for the strain at the surface are used to compare to the critical stress for void growth in the MD simulations. Acknowledgement: This work was performed under the auspices of the US Dept. of Energy at the University of California/Lawrence Livermore National Laboratory under contract no. W-7405-Eng-48. [1] J. Belak, "On the nucleation and growth of voids at high strain-rates," J. Comp.-Aided Mater. Design 5, 193 (1998).

The effect of hydrogen on the deformation behavior of a single crystal nickel-base superalloy

NASA Technical Reports Server (NTRS)

Walston, W. S.; Thompson, A. W.; Bernstein, I. M.

1989-01-01

The effect of hydrogen on the tensile deformation behavior of PWA 1480 is presented. Tensile tests were interrupted at different plastic strain levels to observe the development of the dislocation structure. Transmission electron microscopy (TEM) foils were cut perpendicular to the tensile axis to allow the deformation of both phases to be simultaneously observed as well as parallel to zone axes (III) to show the superdislocations on their slip planes. Similar to other nickel-base superalloys, hydrogen was detrimental to the room temperature tensile properties of PWA 1480. There was little effect on strength, however the material was severely embrittled. Even without hydrogen, the elongation-to-failure was only approximately 3 percent. The tensile fracture surface was made up primarily of ductile voids with regions of cleavage fracture. These cleavage facets are the eutectic (gamma') in the microstructure. It was shown by quantitative fractography that hydrogen embrittles the eutectic (gamma') and causes the crack path to seek out and fracture through the eutectic (gamma'). There was two to three times the amount of cleavage on the fracture surface of the hydrogen-charged samples than on the surface of the uncharged samples. The effect of hydrogen can also be seen in the dislocation structure. There is a marked tendency for dislocation trapping in the gamma matrix with and without hydrogen at all plastic strain levels. Without hydrogen there is a high dislocation density in the gamma matrix leading to strain exhaustion in this region and failure through the matrix. The dislocation structure at failure with hydrogen is slightly different. The TEM foils cut parallel to zone axes (III) showed dislocations wrapping around gamma precipitates. Zone axes (001) foils show that there is a lower dislocation density in the gamma matrix which can be linked to the effects of hydrogen on the fracture behavior. The primary activity in the gamma precipitates is in the form of superlattice intrinsic stacking faults (SISFs). These faults have also been reported in other ordered alloys and superalloys.

Experimental verification of the model for formation of double Shockley stacking faults in highly doped regions of PVT-grown 4H–SiC wafers

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

Yang, Yu; Guo, Jianqiu; Goue, Ouloide

Recently, we reported on the formation of overlapping rhombus-shaped stacking faults from scratches left over by the chemical mechanical polishing during high temperature annealing of PVT-grown 4H–SiC wafer. These stacking faults are restricted to regions with high N-doped areas of the wafer. The type of these stacking faults were determined to be Shockley stacking faults by analyzing the behavior of their area contrast using synchrotron white beam X-ray topography studies. A model was proposed to explain the formation mechanism of the rhombus shaped stacking faults based on double Shockley fault nucleation and propagation. In this paper, we have experimentally verifiedmore » this model by characterizing the configuration of the bounding partials of the stacking faults on both surfaces using synchrotron topography in back reflection geometry. As predicted by the model, on both the Si and C faces, the leading partials bounding the rhombus-shaped stacking faults are 30° Si-core and the trailing partials are 30° C-core. Finally, using high resolution transmission electron microscopy, we have verified that the enclosed stacking fault is a double Shockley type.« less

Lubrication of dislocation glide in MgO by hydrous defects

NASA Astrophysics Data System (ADS)

Skelton, Richard; Walker, Andrew M.

2018-02-01

Water-related defects, principally in the form of protonated cation vacancies, are potentially able to weaken minerals under high-stress or low-temperature conditions by reducing the Peierls stress required to initiate dislocation glide. In this study, we use the Peierls-Nabarro (PN) model to determine the effect of protonated Mg vacancies on the 1/2<110>{110} and 1/2<110>{100} slip systems in MgO. This PN model is parameterized using generalized stacking fault energies calculated using plane-wave density functional theory, with and without protonated Mg vacancies present at the glide plane. It found that these defects increase dislocation core widths and reduce the Peierls stress over the entire pressure range 0-125 GPa. Furthermore, 1/2<110>{110} slip is found to be more sensitive to the presence of protonated vacancies which increases in the pressure at which {100} becomes the easy glide plane for 1/2<110> screw dislocations. These results demonstrate, for a simple mineral system, that water-related defects can alter the deformation behavior of minerals in the glide-creep regime by reducing the stress required to move dislocations by glide. (Mg, Fe)O is the most anisotropic mineral in the Earth's lower mantle, so the differential sensitivity of the major slip systems in MgO to hydrous defects has potential implications for the interpretation of the seismic anisotropy in this region.

Trapping of edge dislocations by a moving smectic-A smectic-B interface

NASA Astrophysics Data System (ADS)

Oswald, P.; Lejcek, L.

1991-09-01

We analyze how the motion of the edge dislocations of the smectic-A liquid crystal allows the system to relax plastically the stresses that are generated during the growth of the smectic-B plastic crystal. These stresses are both due, to the density difference between the two phases, and to the layer thickness variation at the phase transition. In particular, we calculate under which conditions a dislocation can be trapped by the smectic-B phase. Finally, we suggest that this dynamical trapping is responsible for the very large amount of stacking faults observed by X-ray diffraction. Nous analysons comment le mouvement des dislocations coin du cristal liquide smectique A permet de relaxer plastiquement les contraintes induites par la croissance du cristal plastique smectique B. Ces contraintes sont engendrées à la fois par la différence de densité qui existe entre les deux phases et par la variation d'épaisseur des couches à la transition. Nous calculons en particulier dans quelles conditions une dislocation coin peut être piégée par le smectique B. Enfin, nous suggérons que ce piégeage dynamique est à l'origine de la très forte densité de fautes d'empilement qui est couramment observée aux rayons X dans la phase B.

Growth study of self-assembled GaN nanocolumns on silica glass by plasma assisted molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Liudi Mulyo, Andreas; Konno, Yuta; Nilsen, Julie S.; van Helvoort, Antonius T. J.; Fimland, Bjørn-Ove; Weman, Helge; Kishino, Katsumi

2017-12-01

We demonstrate GaN nanocolumn growth on fused silica glass by plasma-assisted molecular beam epitaxy. The effect of the substrate temperature, Ga flux and N2 flow rate on the structural and optical properties are studied. At optimum growth conditions, GaN nanocolumns are vertically aligned and well separated with an average diameter, height and density of 72 nm, 1.2 μm and 1.6 × 109 cm-2, respectively. The nanocolumns exhibit wurtzite crystal structure with no threading dislocations, stacking faults or twinning and grow in the [0 0 0 1] direction. At the interface adjacent to the glass, there is a few atom layers thick intermediate phase with ABC stacking order (zinc blende). Photoluminescence measurements evidence intense and narrow excitonic emissions, along with the absence of any defect-related zinc blende and yellow luminescence emission.

Elimination of trench defects and V-pits from InGaN/GaN structures

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

Smalc-Koziorowska, Julita; Grzanka, Ewa; Czernecki, Robert

2015-03-09

The microstructural evolution of InGaN/GaN multiple quantum wells grown by metalorganic chemical vapor phase epitaxy was studied as a function of the growth temperature of the GaN quantum barriers (QBs). We observed the formation of basal stacking faults (BSFs) in GaN QBs grown at low temperature. The presence of BSFs terminated by stacking mismatch boundaries (SMBs) leads to the opening of the structure at the surface into a V-shaped trench loop. This trench may form above an SMB, thereby terminating the BSF, or above a junction between the SMB and a subsequent BSF. Fewer BSFs and thus fewer trench defectsmore » were observed in GaN QBs grown at temperatures higher than 830 °C. Further increase in the growth temperature of the GaN QBs led to the suppression of the threading dislocation opening into V-pits.« less

Stacking fault effects in Mg-doped GaN

NASA Astrophysics Data System (ADS)

Schmidt, T. M.; Miwa, R. H.; Orellana, W.; Chacham, H.

2002-01-01

First-principles total energy calculations are performed to investigate the interaction of a stacking fault with a p-type impurity in both zinc-blende and wurtzite GaN. For both structures we find that, in the presence of a stacking fault, the impurity level is a more localized state in the band gap. In zinc-blende GaN, the minimum energy position of the substitutional Mg atom is at the plane of the stacking fault. In contrast, in wurtzite GaN the substitutional Mg atom at the plane of the stacking fault is a local minimum and the global minimum is the substitutional Mg far from the fault. This behavior can be understood as a packing effect which induces a distinct strain relief process, since the local structure of the stacking fault in zinc-blende GaN is similar to fault-free wurtzite GaN and vice-versa.

Hydrogen Embrittlement And Stacking-Fault Energies

NASA Technical Reports Server (NTRS)

Parr, R. A.; Johnson, M. H.; Davis, J. H.; Oh, T. K.

1988-01-01

Embrittlement in Ni/Cu alloys appears related to stacking-fault porbabilities. Report describes attempt to show a correlation between stacking-fault energy of different Ni/Cu alloys and susceptibility to hydrogen embrittlement. Correlation could lead to more fundamental understanding and method of predicting susceptibility of given Ni/Cu alloy form stacking-fault energies calculated from X-ray diffraction measurements.

Dislocation Processes and Frictional Stability of Faults

NASA Astrophysics Data System (ADS)

Toy, V. G.; Mitchell, T. M.; Druiventak, A.

2011-12-01

The rate dependence of frictional processes in faults in quartzofeldspathic crust is proposed to change at c. 300°C, because above this temperature asperity deformation can be accommodated by crystal plastic processes. As a consequence, the real fault contact area increases and the fault velocity strengthens. Conversely, faults at lower temperatures are velocity weakening and therefore prone to earthquake slip. We have investigated whether dislocation processes are important around faults in quartzites on seismic timescales, by inducing fault slip on a saw cut surface in novaculite blocks. Deformation was carried out at 450°C and 600°C in a Griggs apparatus. Slip rates of 8.3 x 10-7s-1 allowed total slip, u, of 0.5mm to be achieved in c. 10 minutes. Failure occurred at peak differential stresses of ~1.7 GPa and 1.4 GPa respectively, followed by significant weakening. Structures of the novaculite within and surrounding the fault surface were examined using EBSD, FIB-SEM and TEM to elucidate changes to their dislocation substructure. In the sample deformed at 450°C, a ~50μm thick layer of amorphous / non-crystalline silica was developed on the saw-cut surface during deformation. Rare clasts of the wall rock are preserved within this material. The surrounding sample is mostly composed of equant quartz grains of 5-10μm diameter that lack a preferred orientation, contain very few intercrystalline dislocations, and are divided by organised high angle grain boundaries. After deformation, most quartz grains within the sample retain their starting microstructure. However, within ~10μm of the sliding surface, dislocations are more common, and these are arranged into elongated, tangled zones (subgrain boundaries?). Microfractures are also observed. These microstructures are characteristic of deformation accommodated by low temperature plasticity. Our preliminary observations suggest that dislocation processes may be able to accommodate some deformation around fault surfaces, at least at the slightly sub-seismic deformation rates of these experiments. Furthermore, once sliding initiated on the saw cut surface, an amorphous material was generated. We hypothesise that this could have been due to a breakdown of the crystal structure by a combination of cataclasis and generation of excessive dislocation densities. There would also have been a slight increase in temperature around the sliding surface during and after fault slip, which may have aided the focussing of dislocation processes around the sliding surface.

Controllable Growth and Formation Mechanisms of Dislocated WS2 Spirals.

PubMed

Fan, Xiaopeng; Zhao, Yuzhou; Zheng, Weihao; Li, Honglai; Wu, Xueping; Hu, Xuelu; Zhang, Xuehong; Zhu, Xiaoli; Zhang, Qinglin; Wang, Xiao; Yang, Bin; Chen, Jianghua; Jin, Song; Pan, Anlian

2018-06-13

Two-dimensional (2D) layered metal dichalcogenides can form spiral nanostructures by a screw-dislocation-driven mechanism, which leads to changes in crystal symmetry and layer stackings that introduce attractive physical properties different from their bulk and few-layer nanostructures. However, controllable growth of spirals is challenging and their growth mechanisms are poorly understood. Here, we report the controllable growth of WS 2 spiral nanoplates with different stackings by a vapor phase deposition route and investigate their formation mechanisms by combining atomic force microscopy with second harmonic generation imaging. Previously not observed "spiral arm" features could be explained as covered dislocation spiral steps, and the number of spiral arms correlates with the number of screw dislocations initiated at the bottom plane. The supersaturation-dependent growth can generate new screw dislocations from the existing layers, or even new layers templated by existing screw dislocations. Different number of dislocations and orientation of new layers result in distinct morphologies, different layer stackings, and more complex nanostructures, such as triangular spiral nanoplates with hexagonal spiral pattern on top. This work provides the understanding and control of dislocation-driven growth of 2D nanostructures. These spiral nanostructures offer diverse candidates for probing the physical properties of layered materials and exploring new applications in functional nanoelectronic and optoelectronic devices.

Stacking fault density and bond orientational order of fcc ruthenium nanoparticles

NASA Astrophysics Data System (ADS)

Seo, Okkyun; Sakata, Osami; Kim, Jae Myung; Hiroi, Satoshi; Song, Chulho; Kumara, Loku Singgappulige Rosantha; Ohara, Koji; Dekura, Shun; Kusada, Kohei; Kobayashi, Hirokazu; Kitagawa, Hiroshi

2017-12-01

We investigated crystal structure deviations of catalytic nanoparticles (NPs) using synchrotron powder X-ray diffraction. The samples were fcc ruthenium (Ru) NPs with diameters of 2.4, 3.5, 3.9, and 5.4 nm. We analyzed average crystal structures by applying the line profile method to a stacking fault model and local crystal structures using bond orientational order (BOO) parameters. The reflection peaks shifted depending on rules that apply to each stacking fault. We evaluated the quantitative stacking faults densities for fcc Ru NPs, and the stacking fault per number of layers was 2-4, which is quite large. Our analysis shows that the fcc Ru 2.4 nm-diameter NPs have a considerably high stacking fault density. The B factor tends to increase with the increasing stacking fault density. A structural parameter that we define from the BOO parameters exhibits a significant difference from the ideal value of the fcc structure. This indicates that the fcc Ru NPs are highly disordered.

Relaxation mechanisms, structure and properties of semi-coherent interfaces

DOE PAGES

Shao, Shuai; Wang, Jian

2015-10-15

In this work, using the Cu–Ni (111) semi-coherent interface as a model system, we combine atomistic simulations and defect theory to reveal the relaxation mechanisms, structure, and properties of semi-coherent interfaces. By calculating the generalized stacking fault energy (GSFE) profile of the interface, two stable structures and a high-energy structure are located. During the relaxation, the regions that possess the stable structures expand and develop into coherent regions; the regions with high-energy structure shrink into the intersection of misfit dislocations (nodes). This process reduces the interface excess potential energy but increases the core energy of the misfit dislocations and nodes.more » The core width is dependent on the GSFE of the interface. The high-energy structure relaxes by relative rotation and dilatation between the crystals. The relative rotation is responsible for the spiral pattern at nodes. The relative dilatation is responsible for the creation of free volume at nodes, which facilitates the nodes’ structural transformation. Several node structures have been observed and analyzed. In conclusion, the various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies.« less

Structural anisotropic properties of a-plane GaN epilayers grown on r-plane sapphire by molecular beam epitaxy

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

Lotsari, A.; Kehagias, Th.; Katsikini, M.

2014-06-07

Heteroepitaxial non-polar III-Nitride layers may exhibit extensive anisotropy in the surface morphology and the epilayer microstructure along distinct in-plane directions. The structural anisotropy, evidenced by the “M”-shape dependence of the (112{sup ¯}0) x-ray rocking curve widths on the beam azimuth angle, was studied by combining transmission electron microscopy observations, Raman spectroscopy, high resolution x-ray diffraction, and atomic force microscopy in a-plane GaN epilayers grown on r-plane sapphire substrates by plasma-assisted molecular beam epitaxy (PAMBE). The structural anisotropic behavior was attributed quantitatively to the high dislocation densities, particularly the Frank-Shockley partial dislocations that delimit the I{sub 1} intrinsic basal stacking faults,more » and to the concomitant plastic strain relaxation. On the other hand, isotropic samples exhibited lower dislocation densities and a biaxial residual stress state. For PAMBE growth, the anisotropy was correlated to N-rich (or Ga-poor) conditions on the surface during growth, that result in formation of asymmetric a-plane GaN grains elongated along the c-axis. Such conditions enhance the anisotropy of gallium diffusion on the surface and reduce the GaN nucleation rate.« less

Improving optical performance of GaN nanowires grown by selective area growth homoepitaxy: Influence of substrate and nanowire dimensions

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

Aseev, P., E-mail: pavel.aseev@isom.upm.es, E-mail: gacevic@isom.upm.es; Gačević, Ž., E-mail: pavel.aseev@isom.upm.es, E-mail: gacevic@isom.upm.es; Calleja, E.

2016-06-20

Series of GaN nanowires (NW) with controlled diameters (160–500 nm) and heights (420–1100 nm) were homoepitaxially grown on three different templates: GaN/Si(111), GaN/AlN/Si(111), and GaN/sapphire(0001). Transmission electron microscopy reveals a strong influence of the NW diameter on dislocation filtering effect, whereas photoluminescence measurements further relate this effect to the GaN NWs near-bandgap emission efficiency. Although the templates' quality has some effects on the GaN NWs optical and structural properties, the NW diameter reduction drives the dislocation filtering effect to the point where a poor GaN template quality becomes negligible. Thus, by a proper optimization of the homoepitaxial GaN NWs growth, the propagationmore » of dislocations into the NWs can be greatly prevented, leading to an exceptional crystal quality and a total dominance of the near-bandgap emission over sub-bandgap, defect-related lines, such as basal stacking faults and so called unknown exciton (UX) emission. In addition, a correlation between the presence of polarity inversion domain boundaries and the UX emission lines around 3.45 eV is established.« less

Softening due to disordered grain boundaries in nanocrystalline Co.

PubMed

Yuasa, Motohiro; Hakamada, Masataka; Nakano, Hiromi; Mabuchi, Mamoru; Chino, Yasumasa

2013-08-28

Nanocrystalline Co consisting of fcc and hcp phases was processed by electrodeposition, and its mechanical properties were investigated by hardness tests. In addition, high-resolution transmission electron microscopy observations and molecular dynamics (MD) simulations were performed to investigate the grain boundary structure and dislocation nucleation from the grain boundaries. A large amount of disorders existed at the grain boundaries and stacking faults were formed from the grain boundaries in the as-deposited Co specimen. The as-deposited specimen showed a lower hardness than did the annealed specimen, although the grain size of the former was smaller than that of the latter. The activation volume of the as-deposited specimen (=1.5b(3)) was lower than that of the annealed specimen (=50b(3)), thus indicating that nucleation of dislocations from grain boundaries is more active in the as-deposited specimen than in the annealed specimens. The MD simulations showed that dislocation nucleation was closely related to a change in the defect structures at the boundary. Therefore, it is suggested that a significant amount of defects enhance changes in the defect structures at the boundary, resulting in softening of the as-deposited specimen.

Softening due to disordered grain boundaries in nanocrystalline Co

NASA Astrophysics Data System (ADS)

Yuasa, Motohiro; Hakamada, Masataka; Nakano, Hiromi; Mabuchi, Mamoru; Chino, Yasumasa

2013-08-01

Nanocrystalline Co consisting of fcc and hcp phases was processed by electrodeposition, and its mechanical properties were investigated by hardness tests. In addition, high-resolution transmission electron microscopy observations and molecular dynamics (MD) simulations were performed to investigate the grain boundary structure and dislocation nucleation from the grain boundaries. A large amount of disorders existed at the grain boundaries and stacking faults were formed from the grain boundaries in the as-deposited Co specimen. The as-deposited specimen showed a lower hardness than did the annealed specimen, although the grain size of the former was smaller than that of the latter. The activation volume of the as-deposited specimen (=1.5b3) was lower than that of the annealed specimen (=50b3), thus indicating that nucleation of dislocations from grain boundaries is more active in the as-deposited specimen than in the annealed specimens. The MD simulations showed that dislocation nucleation was closely related to a change in the defect structures at the boundary. Therefore, it is suggested that a significant amount of defects enhance changes in the defect structures at the boundary, resulting in softening of the as-deposited specimen.

The behaviour of stacking fault energy upon interstitial alloying.

PubMed

Lee, Jee-Yong; Koo, Yang Mo; Lu, Song; Vitos, Levente; Kwon, Se Kyun

2017-09-11

Stacking fault energy is one of key parameters for understanding the mechanical properties of face-centered cubic materials. It is well known that the plastic deformation mechanism is closely related to the size of stacking fault energy. Although alloying is a conventional method to modify the physical parameter, the underlying microscopic mechanisms are not yet clearly established. Here, we propose a simple model for determining the effect of interstitial alloying on the stacking fault energy. We derive a volumetric behaviour of stacking fault energy from the harmonic approximation to the energy-lattice curve and relate it to the contents of interstitials. The stacking fault energy is found to change linearly with the interstitial content in the usual low concentration domain. This is in good agreement with previously reported experimental and theoretical data.

Semi-automated fault system extraction and displacement analysis of an excavated oyster reef using high-resolution laser scanned data

NASA Astrophysics Data System (ADS)

Molnár, Gábor; Székely, Balázs; Harzhauser, Mathias; Djuricic, Ana; Mandic, Oleg; Dorninger, Peter; Nothegger, Clemens; Exner, Ulrike; Pfeifer, Norbert

2015-04-01

In this contribution we present a semi-automated method for reconstructing the brittle deformation field of an excavated Miocene oyster reef, in Stetten, Korneuburg Basin, Lower Austria. Oyster shells up to 80 cm in size were scattered in a shallow estuarine bay forming a continuous and almost isochronous layer as a consequence of a catastrophic event in the Miocene. This shell bed was preserved by burial of several hundred meters of sandy to silty sediments. Later the layers were tilted westward, uplifted and erosion almost exhumed them. An excavation revealed a 27 by 17 meters area of the oyster covered layer. During the tectonic processes the sediment volume suffered brittle deformation. Faults mostly with some centimeter normal component and NW-SE striking affected the oyster covered volume, dissecting many shells and the surrounding matrix as well. Faults and displacements due to them can be traced along the site typically at several meters long, and as fossil oysters are broken and parts are displaced due to the faulting, along some faults it is possible to follow these displacements in 3D. In order to quantify these varying displacements and to map the undulating fault traces high-resolution scanning of the excavated and cleaned surface of the oyster bed has been carried out using a terrestrial laser scanner. The resulting point clouds have been co-georeferenced at mm accuracy and a 1mm resolution 3D point cloud of the surface has been created. As the faults are well-represented in the point cloud, this enables us to measure the dislocations of the dissected shell parts along the fault lines. We used a semi-automatic method to quantify these dislocations. First we manually digitized the fault lines in 2D as an initial model. In the next step we estimated the vertical (i.e. perpendicular to the layer) component of the dislocation along these fault lines comparing the elevations on two sides of the faults with moving averaging windows. To estimate the strike-slip dislocation component, the surface points of the dissected shells on both sides of the fault planes were compared and displacement vectors were derived. The exact orientation of the fault planes cannot be accurately extracted automatically, so the distinction between normal and reverse fault is difficult. This makes the third component of the dislocation to be estimated inaccurately. These derived dislocation values are regarded as components of the dislocation vectors and were transformed back to the real world spatial coordinate system. Interpolating these dislocation vectors along fault lines we calculated and visualized the deformation field along the whole surface of the oyster reef. Although this deformation field is only a 2D section of the real 3D deformation field, its elaboration reveals the spatial variability of the deformation according to sediment inhomogeneity. The project is supported by the Austrian Science Fund (FWF P 25883-N29).

High Strain Rate Response of 7055 Aluminum Alloy Subject to Square-spot Laser Shock Peening

NASA Astrophysics Data System (ADS)

Sun, Rujian; Zhu, Ying; Li, Liuhe; Guo, Wei; Peng, Peng

2017-12-01

The influences of laser pulse energy and impact time on high strain rate response of 7055 aluminum alloy subject to square-spot laser shock peening (SLSP) were investigate. Microstructural evolution was characterized by OM, SEM and TEM. Microhardness distribution and in-depth residual stress in 15 J with one and two impacts and 25 J with one and two impacts were analyzed. Results show that the original rolling structures were significantly refined due to laser shock induced recrystallization. High density of microdefects was generated, such as dislocation tangles, dislocation wall and stacking faults. Subgrains and nanograins were induced in the surface layer, resulting in grain refinement in the near surface layer after SLSP. Compressive residual stresses with maximum value of more than -200 MPa and affected depths of more than 1 mm can be generated after SLSP. Impact time has more effectiveness than laser pulse energy in increasing the magnitude of residual stress and achieving thicker hardening layer.

Hydrogen Cracking in Gas Tungsten Arc Welding of an AISI Type 321 Stainless Steel

NASA Astrophysics Data System (ADS)

Rozenak, P.; Unigovski, Ya.; Shneck, R.

The effects of in situ cathodic charging on the tensile properties and susceptibility to cracking of an AISI type 321 stainless steel, welded by the gas tungsten arc welding (GTAW) process, was studied by various treatments. Appearance of delta-ferrite phase in the as-welded steels in our tested conditions was observed with discontinuous grain boundaries (M23C6) and a dense distribution of metal carbides MC ((Ti, Nb)C), which precipitated in the matrix. Shielding gas rates changes the mechanical properties of the welds. Ultimate tensile strength and ductility are increases with the resistance to the environments related the increase of the supplied shielding inert gas rates. Charged specimens, caused mainly in decreases in the ductility of welded specimens. However, more severe decrease in ductility was obtained after post weld heat treatment (PWHT). The fracture of sensitized specimens was predominantly intergranular, whereas the as-welded specimens exhibited massive transgranular regions. Both types of specimen demonstrated narrow brittle zones at the sides of the fracture surface and ductile micro-void coalescences in the middle. Ferrite δ was form after welding with high density of dislocation structures and stacking faults formation and the thin stacking fault plates with e-martensite phase were typically found in the austenitic matrix after the cathodical charging process.

Re-examination of the Present Stress State of the Atera Fault, Central Japan, Based on the Calibrated Crustal Stress Data of Hydraulic Fracturing Test by Measuring the Tensile Strength of Rocks

NASA Astrophysics Data System (ADS)

Yamashita, F.; Mizoguchi, K.; Fukuyama, E.; Omura, K.

2008-12-01

To infer the activity and physical state of intraplate faults in Japan, we re-examined the crustal stress with the hydraulic fracturing test by measuring the tensile strength of rocks. The tensile strength was measured by fracturing hollow cylindrical rock samples (inner and outer radius are 25.0-25.2 mm and 55.1-101.5 mm, respectively, length is 137.0-140.1 mm) which were obtained close to the in situ stress measurement locations by pressurizing the inner hole of the sample. Confining pressure is not applied to the samples in this test. To check the reliability and accuracy of this test, we conducted similar experiments with the standard rock sample (Inada granite) whose physical property is well known. Then, we measured the tensile strength of all available core samples including the Atera fault (at Ueno, Fukuoka, and Hatajiri), the Atotsugawa fault, and the Nojima fault (at Hirabayashi, Iwaya and Kabutoyama), in central Japan, which had been obtained by the National Research Institute for Earth Science and Disaster Prevention (NIED) by the stress measurement with the hydraulic fracturing method. The measured tensile strength data reveals that the in situ re- opening pressure, which is one of the parameters needed for the determination of the maximum in situ horizontal stress, was obviously biased. We re-estimated the re-opening pressure using the measured tensile strength and the in situ breakdown pressure, and re-calculated the in situ stress around the Atera fault. Although the past dislocation of the Atera fault has been considered to be left lateral from the geographical features around the fault, the re-estimated stress suggests that the present dislocation of the Atera fault is right lateral. And the shear stress decreases from the fault. The right lateral dislocation is also supported by the present-day horizontal crustal deformation observed by the triangular and GPS surveys by Geographical Survey Institute in Japan. Therefore, the dislocation direction of the Atera fault seems to change from left lateral to right lateral some time ago. The amount of accumulated right lateral dislocation estimated from the stress data with the dislocation model by Okada (1992) is 2.2-2.6 m. Because the current slip rate from the GPS survey is 2.1-2.3 mm/yr, the accumulation period of the dislocation becomes 960-1240 years if the slip rate is stable. This estimation suggests that during the last 1586 Tensho earthquake the Atera fault dislocated right laterally.

Modeling of dislocation channel width evolution in irradiated metals

DOE PAGES

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

2017-11-08

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

Modeling of dislocation channel width evolution in irradiated metals

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Modeling of dislocation channel width evolution in irradiated metals

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

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

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

High temperature deformation mechanisms of L12-containing Co-based superalloys

NASA Astrophysics Data System (ADS)

Titus, Michael Shaw

Ni-based superalloys have been used as the structural material of choice for high temperature applications in gas turbine engines since the 1940s, but their operating temperature is becoming limited by their melting temperature (Tm =1300degrees C). Despite decades of research, no viable alternatives to Ni-based superalloys have been discovered and developed. However, in 2006, a ternary gamma' phase was discovered in the Co-Al-W system that enabled a new class of Co-based superalloys to be developed. These new Co-based superalloys possess a gamma-gamma' microstructure that is nearly identical to Ni-based superalloys, which enables these superalloys to achieve extraordinary high temperature mechanical properties. Furthermore, Co-based alloys possess the added benefit of exhibiting a melting temperature of at least 100degrees C higher than commercial Ni-based superalloys. Superalloys used as the structural materials in high pressure turbine blades must withstand large thermomechanical stresses imparted from the rotating disk and hot, corrosive gases present. These stresses induce time-dependent plastic deformation, which is commonly known as creep, and new superalloys must possess adequate creep resistance over a broad range of temperature in order to be used as the structural materials for high pressure turbine blades. For these reasons, this research focuses on quantifying high temperature creep properties of new gamma'-containing Co-based superalloys and identifying the high temperature creep deformation mechanisms. The high temperature creep properties of new Co- and CoNi-based alloys were found to be comparable to Ni-based superalloys with respect to minimum creep rates and creep-rupture lives at 900degrees C up to the solvus temperature of the gamma' phase. Co-based alloys exhibited a propensity for extended superlattice stacking fault formation in the gamma' precipitates resulting from dislocation shearing events. When Ni was added to the Co-based compositions, this mode of shearing altered such that extended antiphase boundaries formed in the gamma' precipitates. These high temperature shearing mechanisms differ from Ni-based superalloys, where shearing occurs via APB-coupled dislocations. High resolution electron microscopy studies revealed chemical fluctuations of solute near stacking faults and antiphase boundaries in the gamma' phases. These chemical fluctuations were found to significantly reduce the stacking fault energy, which was calculated via first-principles. The implications for these chemical fluctuations on creep strength were determined, and new models for precipitate shearing will be presented. Furthermore, the implications for the design of new Co- and CoNi-based compositions will be discussed.

Effect of stacking faults on the magnetocrystalline anisotropy of hcp Co: a first-principles study.

PubMed

Aas, C J; Szunyogh, L; Evans, R F L; Chantrell, R W

2013-07-24

In terms of the fully relativistic screened Korringa-Kohn-Rostoker method we investigate the effect of stacking faults on the magnetic properties of hexagonal close-packed (hcp) cobalt. In particular, we consider the formation energy and the effect on the magnetocrystalline anisotropy energy (MAE) of four different stacking faults in hcp cobalt-an intrinsic growth fault, an intrinsic deformation fault, an extrinsic fault and a twin-like fault. We find that the intrinsic growth fault has the lowest formation energy, in good agreement with previous first-principles calculations. With the exception of the intrinsic deformation fault which has a positive impact on the MAE, we find that the presence of a stacking fault generally reduces the MAE of bulk Co. Finally, we consider a pair of intrinsic growth faults and find that their effect on the MAE is not additive, but synergic.

Stacking-fault nucleation on Ir(111).

PubMed

Busse, Carsten; Polop, Celia; Müller, Michael; Albe, Karsten; Linke, Udo; Michely, Thomas

2003-08-01

Variable temperature scanning tunneling microscopy experiments reveal that in Ir(111) homoepitaxy islands nucleate and grow both in the regular fcc stacking and in the faulted hcp stacking. Analysis of this effect in dependence on deposition temperature leads to an atomistic model of stacking-fault formation: The large, metastable stacking-fault islands grow by sufficiently fast addition of adatoms to small mobile adatom clusters which occupy in thermal equilibrium the hcp sites with a significant probability. Using parameters derived independently by field ion microscopy, the model accurately describes the results for Ir(111) and is expected to be valid also for other surfaces.

Investigation into nanoscratching mechanical response of AlCrCuFeNi high-entropy alloys using atomic simulations

NASA Astrophysics Data System (ADS)

Wang, Zining; Li, Jia; Fang, QiHong; Liu, Bin; Zhang, Liangchi

2017-09-01

The mechanical behaviors and deformation mechanisms of scratched AlCrCuFeNi high entropy alloys (HEAs) have been studied by molecular dynamics (MD) simulations, in terms of the scratching forces, atomic strain, atomic displacement, microstructural evolution and dislocation density. The results show that the larger tangential and normal forces and higher friction coefficient take place in AlCrCuFeNi HEA due to its outstanding strength and hardness, and high adhesion and fracture toughness over the pure metal materials. Moreover, the stacking fault energy (SFE) in HEA increases the probability to initiate dislocation and twinning, which is conducive to the formation of complex deformation modes. Compared to the single element metal workpieces, the segregation potency of solutes into twinning boundary (TB) is raised due to the decreasing segregation energy of TB, resulting in the stronger solute effects on improving twinning properties for HEA workpiece. The higher dislocation density and the more activated slipping planes lead to the outstanding plasticity of AlCrCuFeNi HEA. The solute atoms as barriers to hinder the motion of dislocation and the severe lattice distortion to suppress the free slipping of dislocation are significantly stronger obstacles to strengthen HEA. The excellent comprehensive scratching properties of the bulk AlCrCuFeNi HEAs are associated with the combined effects of multiple strengthening mechanisms, such as dislocation strengthening, deformation twinning strengthening as well as solute strengthening. This work provides a basis for further understanding and tailoring SFE in mechanical properties and deformation mechanism of HEAs, which maybe facilitate the design and preparation of new HEAs with high performance.

The effect of interstitial carbon on the mechanical properties and dislocation substructure evolution in Fe 40.4Ni 11.3Mn 34.8Al 7.5Cr 6 high entropy alloys

DOE PAGES

Wang, Zhangwei; Baker, Ian; Cai, Zhonghou; ...

2016-09-01

A systematic study of the effects of up to 1.1 at. % carbon on the mechanical properties and evolution of the dislocation substructure in a series of a high entropy alloys (HEA) based on Fe 40.4Ni 11.3Mn 34.8Al 7.5Cr 6 is presented. Transmission electron microscopy (TEM), synchrotron X-ray diffraction (XRD) and atom probe tomography (APT) were used to show that all the alloys are single-phase f.c.c. random solid solutions. The lattice constant, determined from synchrotron XRD measurements, increases linearly with increasing carbon concentration, which leads to a linear relationship between the yield strength and the carbon concentration. The dislocation substructures,more » as determined by a TEM, show a transition from wavy slip to planar slip and, at higher strains, and from cell-forming structure (dislocations cells, cell blocks and dense dislocation walls) to non-cell forming structure (Taylor lattice, microbands and domain boundaries) with the addition of carbon, features related to the increase in lattice friction stress. The stacking fault energy (measured via weak-beam imaging of the separation of dislocation partials) decreases with increasing carbon content, which also contributes to the transition from wavy slip to planar slip. The formation of non-cell forming structure induced by carbon leads to a high degree of strain hardening and a substantial increase in the ultimate tensile strength. In conclusion, the consequent postponement of necking due to the high strain hardening, along with the plasticity accommodation arising from the formation of microbands and domain boundaries, result in an increase of ductility due to the carbon addition.« less

Effect of stacking fault energy on mechanism of plastic deformation in nanotwinned FCC metals

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

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.

Starting from a semi-empirical potential designed for Cu, we have developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy, which varies over a range that encompasses the lowest and highest values observed in nature. In addition, these potentials were employed in molecular dynamics (MD) simulations to investigate how stacking fault energy affects the mechanical behavior of nanotwinned face-centered cubic (FCC) materials. The results indicate that properties such as yield strength and microstructural stability do not vary systematically with stacking fault energy, but rather fall into twomore » distinct regimes corresponding to 'low' and 'high' stacking fault energies.« less

Opposing effects of stacking faults and antisite domain boundaries on the conduction band edge in kesterite quaternary semiconductors

NASA Astrophysics Data System (ADS)

Park, Ji-Sang; Kim, Sunghyun; Walsh, Aron

2018-01-01

We investigated stability and the electronic structure of extended defects including antisite domain boundaries and stacking faults in the kesterite-structured semiconductors, Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe). Our hybrid density functional theory calculations show that stacking faults in CZTS and CZTSe induce a higher conduction band edge than the bulk counterparts, and thus the stacking faults act as electron barriers. Antisite domain boundaries, however, accumulate electrons as the conduction band edge is reduced in energy, having an opposite role. An Ising model was constructed to account for the stability of stacking faults, which shows the nearest-neighbor interaction is stronger in the case of the selenide.

Effect of stacking fault energy on mechanism of plastic deformation in nanotwinned FCC metals

DOE PAGES

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.; ...

2015-05-15

Starting from a semi-empirical potential designed for Cu, we have developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy, which varies over a range that encompasses the lowest and highest values observed in nature. In addition, these potentials were employed in molecular dynamics (MD) simulations to investigate how stacking fault energy affects the mechanical behavior of nanotwinned face-centered cubic (FCC) materials. The results indicate that properties such as yield strength and microstructural stability do not vary systematically with stacking fault energy, but rather fall into twomore » distinct regimes corresponding to 'low' and 'high' stacking fault energies.« less

X-Ray Diffuse Scattering Study of the Kinetics of Stacking Fault Growth and Annihilation in Boron-Implanted Silicon.

NASA Astrophysics Data System (ADS)

Patel, J. R.

2002-06-01

Stacking faults in boron-implanted silicon give rise to streaks or rods of scattered x-ray intensity normal to the stacking fault plane. We have used the diffuse scattering rods to follow the growth of faults as a function of time when boron-implanted silicon is annealed in the range 925 - 1025 C.

The determination of the stacking fault energy in copper-nickel alloys

NASA Technical Reports Server (NTRS)

Leighly, H. P., Jr.

1982-01-01

Methods for determining the stacking fault energies of a series of nickel-copper alloys to gain an insight into the embrittling effect of hydrogen are evaluated. Plans for employing weak beam dark field electron microscopy to determine stacking fault energies are outlined.

Theoretical investigation of the formation of basal plane stacking faults in heavily nitrogen-doped 4H-SiC crystals

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

Taniguchi, Chisato; Ichimura, Aiko; Ohtani, Noboru, E-mail: ohtani.noboru@kwansei.ac.jp

The formation of basal plane stacking faults in heavily nitrogen-doped 4H-SiC crystals was theoretically investigated. A novel theoretical model based on the so-called quantum well action mechanism was proposed; the model considers several factors, which were overlooked in a previously proposed model, and provides a detailed explanation of the annealing-induced formation of double layer Shockley-type stacking faults in heavily nitrogen-doped 4H-SiC crystals. We further revised the model to consider the carrier distribution in the depletion regions adjacent to the stacking fault and successfully explained the shrinkage of stacking faults during annealing at even higher temperatures. The model also succeeded inmore » accounting for the aluminum co-doping effect in heavily nitrogen-doped 4H-SiC crystals, in that the stacking fault formation is suppressed when aluminum acceptors are co-doped in the crystals.« less

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Mechanism and energetics of dislocation cross-slip in hcp metals

NASA Astrophysics Data System (ADS)

Wu, Zhaoxuan; Curtin, W. A.

2016-10-01

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension-compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals.

Self-Catalyzed Growth of Axial GaAs/GaAsSb Nanowires by Molecular Beam Epitaxy for Photodetectors

DTIC Science & Technology

2015-06-01

blende structure with mixture of stacking faults and twins and the presence of these faults were significantly reduced in the NWs grown on chemically...a) TEM image of the core NW (b) HR-TEM image displaying the stacking faults and twinning defects. (c)SAED pattern showing the ZB crystal structure...of stacking faults and twins and the presence of these faults were significantly reduced in the NWs grown on chemically etched substrates. For

A molecular dynamics investigation into the mechanisms of subsurface damage and material removal of monocrystalline copper subjected to nanoscale high speed grinding

NASA Astrophysics Data System (ADS)

Li, Jia; Fang, Qihong; Liu, Youwen; Zhang, Liangchi

2014-06-01

This paper investigates the mechanisms of subsurface damage and material removal of monocrystalline copper when it is under a nanoscale high speed grinding of a diamond tip. The analysis was carried out with the aid of three-dimensional molecular dynamics simulations. The key factors that would influence the deformation of the material were carefully explored by analyzing the chip, dislocation movement, and workpiece deformation, which include grinding speed, depth of cut, grid tip radius, crystal orientation and machining angle of copper. An analytical model was also established to predict the emission of partial dislocations during the nanoscale high speed grinding. The investigation showed that a higher grinding velocity, a larger tip radius or a larger depth of cut would result in a larger chipping volume and a greater temperature rise in the copper workpiece. A lower grinding velocity would produce more intrinsic stacking faults. It was also found that the transition of deformation mechanisms depends on the competition between the dislocations and deformation twinning. There is a critical machining angle, at which a higher velocity, a smaller tip radius, or a smaller depth of cut will reduce the subsurface damage and improve the smoothness of a ground surface. The established analytical model showed that the Shockley dislocation emission is most likely to occur with the crystal orientations of (0 0 1)[1 0 0] at 45° angle.

Effect of hydrogenation conditions on the microstructure and mechanical properties of zirconium hydride

NASA Astrophysics Data System (ADS)

Muta, Hiroaki; Nishikane, Ryoji; Ando, Yusuke; Matsunaga, Junji; Sakamoto, Kan; Harjo, Stefanus; Kawasaki, Takuro; Ohishi, Yuji; Kurosaki, Ken; Yamanaka, Shinsuke

2018-03-01

Precipitation of brittle zirconium hydrides deteriorate the fracture toughness of the fuel cladding tubes of light water reactor. Although the hydride embrittlement has been studied extensively, little is known about physical properties of the hydride due to the experimental difficulties. In the present study, to elucidate relationship between mechanical properties and microstructure, two δ-phase zirconium hydrides and one ε-phase zirconium hydride were carefully fabricated considering volume changes at the metal-to-hydride transformation. The δ-hydride that was fabricated from α-zirconium exhibits numerous inner cracks due to the large volume change. Analyses of the neutron diffraction pattern and electron backscatter diffraction (EBSD) data show that the sample displays significant stacking faults in the {111} plane and in the pseudo-layered microstructure. On the other hand, the δ-hydride sample fabricated from β-zirconium at a higher temperature displays equiaxed grains and no cracks. The strong crystal orientation dependence of mechanical properties were confirmed by indentation test and EBSD observation. The δ-hydride hydrogenated from α-zirconium displays a lower Young's modulus than that prepared from β-zirconium. The difference is attributed to stacking faults within the {111} plane, for which the Young's modulus exhibits the highest value in the perpendicular direction. The strong influence of the crystal orientation and dislocation density on the mechanical properties should be considered when evaluating hydride precipitates in nuclear fuel cladding.

Role of surface states and defects in the ultrafast nonlinear optical properties of CuS quantum dots

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

Mary, K. A. Ann; Unnikrishnan, N. V., E-mail: nvu100@yahoo.com; Philip, Reji

2014-07-01

We report facile preparation of water dispersible CuS quantum dots (2–4 nm) and nanoparticles (5–11 nm) through a nontoxic, green, one-pot synthesis method. Optical and microstructural studies indicate the presence of surface states and defects (dislocations, stacking faults, and twins) in the quantum dots. The smaller crystallite size and quantum dot formation have significant effects on the high energy excitonic and low energy plasmonic absorption bands. Effective two-photon absorption coefficients measured using 100 fs laser pulses employing open-aperture Z-scan in the plasmonic region of 800 nm reveal that CuS quantum dots are better ultrafast optical limiters compared to CuS nanoparticles.

Low-temperature diffusion assisted by femtosecond laser-induced modifications at Ni/SiC interface

NASA Astrophysics Data System (ADS)

Okada, Tatsuya; Tomita, Takuro; Ueki, Tomoyuki; Hashimoto, Takuya; Kawakami, Hiroki; Fuchikami, Yuki; Hisazawa, Hiromu; Tanaka, Yasuhiro

2018-01-01

We investigated low-temperature diffusion at the Ni/SiC interface with the assistance of femtosecond laser-induced modifications. Cross sections of the laser-irradiated lines of two different pulse energies — 0.84 and 0.60 J/cm2 in laser fluence — were compared before and after annealing at 673 K. At the laser fluence of 0.60 J/cm2, a single flat Ni-based particle was formed at the interface after annealing. The SiC crystal under the particle was defect-free. The present results suggest the potential application of femtosecond laser-induced modifications to the low-temperature fabrication of contacts at the interface without introducing crystal defects, e.g., dislocations and stacking faults, in SiC.

Study on the Strain Hardening Behaviors of TWIP/TRIP Steels

NASA Astrophysics Data System (ADS)

Huang, T. T.; Dan, W. J.; Zhang, W. G.

2017-10-01

Due to the complex coupling of twinning-induced plasticity (TWIP), transformation-induced plasticity (TRIP), and dislocation glide in TWIP/TRIP steels, it is difficult as well as essential to build a comprehensive strain hardening model to describe the interactions between different deformation mechanisms ( i.e., deformation twinning, martensitic transformation, and dislocation glide) and the resulted strain hardening behaviors. To address this issue, a micromechanical model is established in this paper to predict the deformation process of TWIP/TRIP steels considering both TWIP and TRIP effects. In the proposed model, the generation of deformation twinning and martensitic transformation is controlled by the stacking fault energy (SFE) of the material. In the thermodynamic calculation of SFE, deformation temperature, chemical compositions, microstrain, and temperature rise during deformation are taken into account. Varied by experimental results, the developed model can predict the stress-strain response and strain hardening behaviors of TWIP/TRIP steels precisely. In addition, the improved strength and enhanced strain hardening in Fe-Mn-C TWIP/TRIP steels due to the increased carbon content is also analyzed, which consists with literature.

On the small angle twist sub-grain boundaries in Ti3AlC2.

PubMed

Zhang, Hui; Zhang, Chao; Hu, Tao; Zhan, Xun; Wang, Xiaohui; Zhou, Yanchun

2016-04-01

Tilt-dominated grain boundaries have been investigated in depth in the deformation of MAX phases. In stark contrast, another important type of grain boundaries, twist grain boundaries, have long been overlooked. Here, we report on the observation of small angle twist sub-grain boundaries in a typical MAX phase Ti3AlC2 compressed at 1200 °C, which comprise hexagonal screw dislocation networks formed by basal dislocation reactions. By first-principles investigations on atomic-scale deformation and general stacking fault energy landscapes, it is unequivocally demonstrated that the twist sub-grain boundaries are most likely located between Al and Ti4f (Ti located at the 4f Wyckoff sites of P63/mmc) layers, with breaking of the weakly bonded Al-Ti4f. The twist angle increases with the increase of deformation and is estimated to be around 0.5° for a deformation of 26%. This work may shed light on sub-grain boundaries of MAX phases, and provide fundamental information for future atomic-scale simulations.

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

DOE PAGES

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

2015-11-23

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

Cathodoluminescence of stacking fault bound excitons for local probing of the exciton diffusion length in single GaN nanowires

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

Nogues, Gilles, E-mail: gilles.nogues@neel.cnrs.fr; Den Hertog, Martien; Inst. NEEL, CNRS, F-38042 Grenoble

We perform correlated studies of individual GaN nanowires in scanning electron microscopy combined to low temperature cathodoluminescence, microphotoluminescence, and scanning transmission electron microscopy. We show that some nanowires exhibit well localized regions emitting light at the energy of a stacking fault bound exciton (3.42 eV) and are able to observe the presence of a single stacking fault in these regions. Precise measurements of the cathodoluminescence signal in the vicinity of the stacking fault give access to the exciton diffusion length near this location.

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

NASA Astrophysics Data System (ADS)

Kaboli, S.; Burnley, P. C.

2017-12-01

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

Distribution of aseismic slip rate on the Hayward fault inferred from seismic and geodetic data

USGS Publications Warehouse

Schmidt, D.A.; Burgmann, R.; Nadeau, R.M.; d'Alessio, M.

2005-01-01

We solve for the slip rate distribution on the Hayward fault by performing a least squares inversion,of geodetic and seismic data sets. Our analysis focuses on the northern 60 km of the fault. Interferometric synthetic aperture radar (InSAR) data from 13 independent ERS interferograms are stacked to obtain range change rates from 1992 to 2000. Horizontal surface displacement rates at 141 bench marks are measured using GPS from 1994 to 2003. Surface creep observations and estimates of deep slip rates determined from characteristic repeating earthquake sequences are also incorporated in the inversion. The fault is discretized into 283 triangular dislocation elements that approximate the nonplanar attributes of the fault surface. South of the city of Hayward, a steeply, east dipping fault geometry accommodates the divergence of the surface trace and the microseismicity at depth. The inferred slip rate distribution is consistent with a fault that creeps aseismically at a rate of ???5 mm/yr to a depth of 4-6 km. The interferometric synthetic aperture radar (InSAR) data require an aseismic slip rate that approaches the geologic slip rate on the northernmost fault segment beneath Point Pinole, although the InSAR data might be complicated by a small dip-slip component at this location. A low slip rate patch of <1 mm/yr is inferred beneath San Leandro consistent with the source location of the 1868 earthquake. We calculate that the entire fault is accumulating a slip rate deficit equivalent to a Mw = 6.77 ?? 0.05 per century. However, this estimate of potential coseismic moment represents an upper bound because we do not know how much of the accumulated strain will be released through aseismic processes such as afterslip. Copyright 2005 by the American Geophysical Union.

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals.

PubMed

Wu, Zhaoxuan; Curtin, W A

2016-10-04

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated [Formula: see text] dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of [Formula: see text] dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal [Formula: see text] dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension-compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals.

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals

PubMed Central

Wu, Zhaoxuan; Curtin, W. A.

2016-01-01

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated 〈c+a〉 dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of 〈c+a〉 dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal 〈c+a〉 dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension–compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals. PMID:27647908

Modeling the evolution of the lower crust with laboratory derived rheological laws under an intraplate strike slip fault

NASA Astrophysics Data System (ADS)

Zhang, X.; Sagiya, T.

2015-12-01

The earth's crust can be divided into the brittle upper crust and the ductile lower crust based on the deformation mechanism. Observations shows heterogeneities in the lower crust are associated with fault zones. One of the candidate mechanisms of strain concentration is shear heating in the lower crust, which is considered by theoretical studies for interplate faults [e.g. Thatcher & England 1998, Takeuchi & Fialko 2012]. On the other hand, almost no studies has been done for intraplate faults, which are generally much immature than interplate faults and characterized by their finite lengths and slow displacement rates. To understand the structural characteristics in the lower crust and its temporal evolution in a geological time scale, we conduct a 2-D numerical experiment on the intraplate strike slip fault. The lower crust is modeled as a 20km thick viscous layer overlain by rigid upper crust that has a steady relative motion across a vertical strike slip fault. Strain rate in the lower crust is assumed to be a sum of dislocation creep and diffusion creep components, each of which flows the experimental flow laws. The geothermal gradient is assumed to be 25K/km. We have tested different total velocity on the model. For intraplate fault, the total velocity is less than 1mm/yr, and for comparison, we use 30mm/yr for interplate faults. Results show that at a low slip rate condition, dislocation creep dominates in the shear zone near the intraplate fault's deeper extension while diffusion creep dominates outside the shear zone. This result is different from the case of interplate faults, where dislocation creep dominates the whole region. Because of the power law effect of dislocation creep, the effective viscosity in the shear zone under intraplate faults is much higher than that under the interplate fault, therefore, shear zone under intraplate faults will have a much higher viscosity and lower shear stress than the intraplate fault. Viscosity contract between inside and outside of the shear zone is smaller under an intraplate situation than in the interplate one, and smaller viscosity difference will result in a wider shear zone.

Ab initio study of point defects near stacking faults in 3C-SiC

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

Xi, Jianqi; Liu, Bin; Zhang, Yanwen

Interactions between point defects and stacking faults in 3C-SiC are studied using an ab initio method based on density functional theory. The results show that the discontinuity of the stacking sequence considerably affects the configurations and behavior of intrinsic defects, especially in the case of silicon interstitials. The existence of an intrinsic stacking fault (missing a C-Si bilayer) shortens the distance between the tetrahedral-center site and its second-nearest-neighboring silicon layer, making the tetrahedral silicon interstitial unstable. Instead of a tetrahedral configuration with four C neighbors, a pyramid-like interstitial structure with a defect state within the band gap becomes a stablemore » configuration. In addition, orientation rotation occurs in the split interstitials that has diverse effects on the energy landscape of silicon and carbon split interstitials in the stacking fault region. Moreover, our analyses of ionic relaxation and electronic structure of vacancies show that the built-in strain field, owing to the existence of the stacking fault, makes the local environment around vacancies more complex than that in the bulk.« less

Ab initio study of point defects near stacking faults in 3C-SiC

DOE PAGES

Xi, Jianqi; Liu, Bin; Zhang, Yanwen; ...

2016-07-02

Interactions between point defects and stacking faults in 3C-SiC are studied using an ab initio method based on density functional theory. The results show that the discontinuity of the stacking sequence considerably affects the configurations and behavior of intrinsic defects, especially in the case of silicon interstitials. The existence of an intrinsic stacking fault (missing a C-Si bilayer) shortens the distance between the tetrahedral-center site and its second-nearest-neighboring silicon layer, making the tetrahedral silicon interstitial unstable. Instead of a tetrahedral configuration with four C neighbors, a pyramid-like interstitial structure with a defect state within the band gap becomes a stablemore » configuration. In addition, orientation rotation occurs in the split interstitials that has diverse effects on the energy landscape of silicon and carbon split interstitials in the stacking fault region. Moreover, our analyses of ionic relaxation and electronic structure of vacancies show that the built-in strain field, owing to the existence of the stacking fault, makes the local environment around vacancies more complex than that in the bulk.« less

Tensile and creep deformation of a newly developed Ni-Fe-based superalloy for 700 °C advanced ultra-supercritical boiler applications

NASA Astrophysics Data System (ADS)

Yuan, Y.; Zhong, Z. H.; Yu, Z. S.; Yin, H. F.; Dang, Y. Y.; Zhao, X. B.; Yang, Z.; Lu, J. T.; Yan, J. B.; Gu, Y.

2015-07-01

A new Ni-Fe-based superalloy, HT-X, has been developed for applications in 700 °C advanced ultra-supercritical (A-USC) boilers. The HT-X alloy is subjected to various heat treatments. Tensile tests are conducted at room temperature (RT), 700 °C and 750 °C. Creep tests are carried out under conditions of 700 °C/300 MPa and 750 °C/150 MPa. After aging treatment, the yield strength of the HT-X alloy at RT and 750 °C is 787 MPa and 624 MPa, respectively. When additional thermal exposure at 750 °C for 5400 h is applied, the yield strength is decreased to 656 MPa at RT and 480 MPa at 700 °C. For an aged specimen, the a/2<110>dislocation shearing process occurs when tensile testing is conducted at RT and 750 °C. As the γ' precipitate size increases in the specimen that is thermally exposed at 750 °C for 5400 h, Orowan bowing is the dominant dislocation process, and stacking faults develop in the γ' precipitates at both RT and 700 °C. Dislocation slip combined with climb is the dominant mechanism under the creep testing conditions. The factors that affect the mechanical properties and deformation mechanisms are discussed.

Atomic force microscopy study on crystal growth of Cu 2+-doped L-arginine phosphate monohydrate crystals

NASA Astrophysics Data System (ADS)

Geng, Y. L.; Xu, D.; Wang, Y. L.; Du, W.; Liu, H. Y.; Zhang, G. H.; Wang, X. Q.; Sun, D. L.

2005-01-01

Sub-steps and defects of the {1 0 0} planes of Cu 2+-doped L-arginine phosphate monohydrate (LAP) crystals are observed by atomic force microscopy. Formation of sub-steps is not due to the stacking faults but a result of single LAP: Cu 2+ molecule acting as growth unit. Two-dimensional (2D) nuclei with the same height as sub-steps occur on the step-edges. Impurities of Cu 2+ ions cause steps bunch and macrosteps formation. Liquid inclusions in the form of long channels form when the macrosteps lose their stability. Numerous small 3D growth hillocks are found in the channels. The extra stress induced by the 3D islands can result in dislocations and steps mismatches.

{Γ}-Convergence Analysis of a Generalized XY Model: Fractional Vortices and String Defects

NASA Astrophysics Data System (ADS)

Badal, Rufat; Cicalese, Marco; De Luca, Lucia; Ponsiglione, Marcello

2018-03-01

We propose and analyze a generalized two dimensional XY model, whose interaction potential has n weighted wells, describing corresponding symmetries of the system. As the lattice spacing vanishes, we derive by {Γ}-convergence the discrete-to-continuum limit of this model. In the energy regime we deal with, the asymptotic ground states exhibit fractional vortices, connected by string defects. The {Γ}-limit takes into account both contributions, through a renormalized energy, depending on the configuration of fractional vortices, and a surface energy, proportional to the length of the strings. Our model describes in a simple way several topological singularities arising in Physics and Materials Science. Among them, disclinations and string defects in liquid crystals, fractional vortices and domain walls in micromagnetics, partial dislocations and stacking faults in crystal plasticity.

Epitaxial relationship of semipolar s-plane (1101) InN grown on r-plane sapphire

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

Dimitrakopulos, G. P.

2012-07-02

The heteroepitaxy of semipolar s-plane (1101) InN grown directly on r-plane sapphire by plasma-assisted molecular beam epitaxy is studied using transmission electron microscopy techniques. The epitaxial relationship is determined to be (1101){sub InN} Parallel-To (1102){sub Al{sub 2O{sub 3}}}, [1120]{sub InN} Parallel-To [2021]{sub Al{sub 2O{sub 3}}}, [1102]{sub InN}{approx} Parallel-To [0221]{sub Al{sub 2O{sub 3}}}, which ensures a 0.7% misfit along [1120]{sub InN}. Two orientation variants are identified. Proposed geometrical factors contributing to the high density of basal stacking faults, partial dislocations, and sphalerite cubic pockets include the misfit accommodation and reduction, as well as the accommodation of lattice twist.

Radiation-induced segregation and precipitation behaviours around cascade clusters under electron irradiation.

PubMed

Sueishi, Yuichiro; Sakaguchi, Norihito; Shibayama, Tamaki; Kinoshita, Hiroshi; Takahashi, Heishichiro

2003-01-01

We have investigated the formation of cascade clusters and structural changes in them by means of electron irradiation following ion irradiation in an austenitic stainless steel. Almost all of the cascade clusters, which were introduced by the ion irradiation, grew to form interstitial-type dislocation loops or vacancy-type stacking fault tetrahedra after electron irradiation at 623 K, whereas a few of the dot-type clusters remained in the matrix. It was possible to recognize the concentration of Ni and Si by radiation-induced segregation around the dot-type clusters. After electron irradiation at 773 K, we found that some cascade clusters became precipitates (delta-Ni2Si) due to radiation-induced precipitation. This suggests that the cascade clusters could directly become precipitation sites during irradiation.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Role Of Impurities On Deformation Of HCP Crystal: A Multi-Scale Approach

NASA Astrophysics Data System (ADS)

Bhatia, Mehul Anoopkumar

Commercially pure (CP) and extra low interstitial (ELI) grade Ti-alloys present excellent corrosion resistance, lightweight, and formability making them attractive materials for expanded use in transportation and medical applications. However, the strength and toughness of CP titanium are affected by relatively small variations in their impurity/solute content (IC), e.g., O, Al, and V. This increase in strength is due to the fact that the solute either increases the critical stress required for the prismatic slip systems ({10- 10}) or activates another slip system ((0001), {10-11}). In particular, solute additions such as O can effectively strengthen the alloy but with an attendant loss in ductility by changing the behavior from wavy (cross slip) to planar nature. In order to understand the underlying behavior of strengthening by solutes, it is important to understand the atomic scale mechanism. This dissertation aims to address this knowledge gap through a synergistic combination of density functional theory (DFT) and molecular dynamics. Further, due to the long-range strain fields of the dislocations and the periodicity of the DFT simulation cells, it is difficult to apply ab initio simulations to study the dislocation core structure. To alleviate this issue we developed a multiscale quantum mechanics/molecular mechanics approach (QM/MM) to study the dislocation core. We use the developed QM/MM method to study the pipe diffusion along a prismatic edge dislocation core. Complementary to the atomistic simulations, the Semi-discrete Variational Peierls-Nabarro model (SVPN) was also used to analyze the dislocation core structure and mobility. The chemical interaction between the solute/impurity and the dislocation core is captured by the so-called generalized stacking fault energy (GSFE) surface which was determined from DFT-VASP calculations. By taking the chemical interaction into consideration the SVPN model can predict the dislocation core structure and mobility in the presence and absence of the solute/impurity and thus reveal the effect of impurity/solute on the softening/hardening behavior in alpha-Ti. Finally, to study the interaction of the dislocation core with other planar defects such as grain boundaries (GB), we develop an automated method to theoretically generate GBs in HCP type materials.

Temperature dependence of stacking faults in catalyst-free GaAs nanopillars.

PubMed

Shapiro, Joshua N; Lin, Andrew; Ratsch, Christian; Huffaker, D L

2013-11-29

Impressive opto-electronic devices and transistors have recently been fabricated from GaAs nanopillars grown by catalyst-free selective-area epitaxy, but this growth technique has always resulted in high densities of stacking faults. A stacking fault occurs when atoms on the growing (111) surface occupy the sites of a hexagonal-close-pack (hcp) lattice instead of the normal face-centered-cubic (fcc) lattice sites. When stacking faults occur consecutively, the crystal structure is locally wurtzite instead of zinc-blende, and the resulting band offsets are known to negatively impact device performance. Here we present experimental and theoretical evidence that indicate stacking fault formation is related to the size of the critical nucleus, which is temperature dependent. The difference in energy between the hcp and fcc orientation of small nuclei is computed using density-function theory. The minimum energy difference of 0.22 eV is calculated for a nucleus with 21 atoms, so the population of nuclei in the hcp orientation is expected to decrease as the nucleus grows larger. The experiment shows that stacking fault occurrence is dramatically reduced from 22% to 3% by raising the growth temperature from 730 to 790 ° C. These data are interpreted using classical nucleation theory which dictates a larger critical nucleus at higher growth temperature.

Stacking Fault Enriching the Electronic and Transport Properties of Few-Layer Phosphorenes and Black Phosphorus.

PubMed

Lei, Shuangying; Wang, Han; Huang, Lan; Sun, Yi-Yang; Zhang, Shengbai

2016-02-10

Interface engineering is critical for enriching the electronic and transport properties of two-dimensional materials. Here, we identify a new stacking, named Aδ, in few-layer phosphorenes (FLPs) and black phosphorus (BP) based on first-principles calculation. With its low formation energy, the Aδ stacking could exist in FLPs and BP as a stacking fault. The presence of the Aδ stacking fault induces a direct to indirect transition of the band gap in FLPs. It also affects the carrier mobilities by significantly increasing the carrier effective masses. More importantly, the Aδ stacking enables the fabrication of a whole spectrum of lateral junctions with all the type-I, II, and III alignments simply through the manipulation of the van der Waals stacking without resorting to any chemical modification. This is achieved by the widely tunable electron affinity and ionization potential of FLPs and BP with the Aδ stacking.

Suzuki segregation in a binary Cu-Si alloy.

PubMed

Mendis, Budhika G; Jones, Ian P; Smallman, Raymond E

2004-01-01

Suzuki segregation to stacking faults and coherent twin boundaries has been investigated in a Cu-7.15 at.% Si alloy, heat-treated at temperatures of 275, 400 and 550 degrees C, using field-emission gun transmission electron microscopy. Silicon enrichment was observed at the stacking fault plane and decreased monotonically with increasing annealing temperature. This increase in the concentration of solute at the fault is due to the stacking fault energy being lowered at higher values of the electron-to-atom ratio of the alloy. From a McLean isotherm, the binding energy for segregation was calculated to be -0.021 +/- 0.019 eV atom(-1). Hardly any segregation was observed to coherent twin boundaries in the same alloy. This is because a twin has a lower interfacial energy than a stacking fault, so that the driving force for segregation is diminished.

The effect of interstitial carbon on the mechanical properties and dislocation substructure evolution in Fe 40.4 Ni 11.3 Mn 34.8 Al 7.5 Cr 6 high entropy alloys

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

Wang, Zhangwei; Baker, Ian; Cai, Zhonghou

2016-11-01

A systematic study of the effects of up to 1.1 at. % carbon on the mechanical properties and evolution of the dislocation substructure in a series of a high entropy alloys (HEA) based on Fe40.4Ni11.3Mn34.8Al7.5Cr6 is presented. Transmission electron microscopy (TEM), synchrotron X-ray diffraction (XRD) and atom probe tomography (APT) were used to show that all the alloys are single-phase f.c.c. random solid solutions. The lattice constant, determined from synchrotron XRD measurements, increases linearly with increasing carbon concentration, which leads to a linear relationship between the yield strength and the carbon concentration. The dislocation substructures, as determined by a TEM,more » show a transition from wavy slip to planar slip and, at higher strains, and from cell-forming structure (dislocations cells, cell blocks and dense dislocation walls) to non-cell forming structure (Taylor lattice, microbands and domain boundaries) with the addition of carbon, features related to the increase in lattice friction stress. The stacking fault energy (measured via weak-beam imaging of the separation of dislocation partials) decreases with increasing carbon content, which also contributes to the transition from wavy slip to planar slip. The formation of non-cell forming structure induced by carbon leads to a high degree of strain hardening and a substantial increase in the ultimate tensile strength. The consequent postponement of necking due to the high strain hardening, along with the plasticity accommodation arising from the formation of microbands and domain boundaries, result in an increase of ductility due to the carbon addition. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.« less

TEM studies of plasma nitrided austenitic stainless steel.

PubMed

Stróz, D; Psoda, M

2010-03-01

Cross-sectional transmission electron microscopy and X-ray phase analysis were used to study the structure of a layer formed during nitriding the AISI 316L stainless steel at temperature 440 degrees C. It was found that the applied treatment led to the formation of 6-microm-thick layer of the S-phase. There is no evidence of CrN precipitation. The X-ray diffraction experiments proved that the occurred austenite lattice expansion - due to nitrogen atoms - depended on the crystallographic direction. The cross-sectional transmission electron microscopy studies showed that the layer consisted of a single cubic phase that contained a lot of defects such as dislocations, stacking faults, slip bands and twins. The high-resolution electron microscopy observations were applied to study the defect formation due to the nitriding process. It was shown that the presence of great number of stacking faults leads to formation of nanotwins. Weak, forbidden {100} reflections were still another characteristic feature of the S-phase. These were not detected in the X-ray spectra of the phase. Basing on the high-resolution electron microscopy studies it can be suggested that the short-range ordering of the nitrogen atoms in the octahedral sites inside the f.c.c. matrix lattice takes place and gives rise to appearance of these spots. It is suggested that the cubic lattice undergoes not only expansion but also slight rombohedral distortion that explains differences in the lattice expansion for different crystallographic directions.

Faulting mechanism of the El Asnam (Algeria) 1954 and 1980 earthquakes from modelling of vertical movements

NASA Astrophysics Data System (ADS)

Bezzeghoud, M.; Dimitro, D.; Ruegg, J. C.; Lammali, K.

1995-09-01

Since 1980, most of the papers published on the El Asnam earthquake concern the geological and seismological aspects of the fault zone. Only one paper, published by Ruegg et al. (1982), constrains the faulting mechanism with geodetic measurements. The purpose of this paper is to reexamine the faulting mechanism of the 1954 and 1980 events by modelling the associated vertical movements. For this purpose we used all available data, and particularly those of the levelling profiles along the Algiers-Oran railway that has been remeasured after each event. The comparison between 1905 and 1976 levelling data shows observed vertical displacement that could have been induced by the 1954 earthquake. On the basis of the 1954 and 1980 levelling data, we propose a possible model for the 1954 and 1980 fault systems. Our 1954 fault model is parallel to the 1980 main thrust fault, with an offset of 6 km towards the west. The 1980 dislocation model proposed in this study is based on a variable slip dislocation model and explains the observed surface break displacements given by Yielding et al. (1981). The Dewey (1991) and Avouac et al. (1992) models are compared with our dislocation model and discussed in this paper.

Impact of extended defects on optical properties of (1-101)GaN grown on patterned Si

NASA Astrophysics Data System (ADS)

Okur, S.; Izyumskaya, N.; Zhang, F.; Avrutin, V.; Metzner, S.; Karbaum, C.; Bertram, F.; Christen, J.; Morkoç, H.; Özgür, Ü.

2014-03-01

The optical quality of semipolar (1 101)GaN layers was explored by time- and polarization-resolved photoluminescence spectroscopy. High intensity bandedge emission was observed in +c-wing regions of the stripes as a result of better structural quality, while -c-wing regions were found to be of poorer optical quality due to basal plane and prismatic stacking faults (BSFs and PSFs) in addition to a high density of TDs. The high optical quality region formed on the +cwings was evidenced also from the much slower biexponential PL decays (0.22 ns and 1.70 ns) and an order of magnitude smaller amplitude ratio of the fast decay (nonradiative origin) to the slow decay component (radiative origin) compared to the -c-wing regions. In regard to defect-related emission, decay times for the BSF and PSF emission lines at 25 K (~ 0.80 ns and ~ 3.5 ns, respectively) were independent of the excitation density within the range employed (5 - 420 W/cm2), and much longer than that for the donor bound excitons (0.13 ns at 5 W/cm2 and 0.22 ns at 420 W/cm2). It was also found that the emission from BSFs had lower polarization degree (0.22) than that from donor bound excitons (0.35). The diminution of the polarization degree when photogenerated carriers recombine within the BSFs is another indication of the negative effects of stacking faults on the optical quality of the semipolar (1101)GaN. In addition, spatial distribution of defects in semipolar (1101)-oriented InGaN active region layers grown on stripe patterned Si substrates was investigated using near-field scanning optical microscopy. The optical quality of -c- wing regions was found to be worse compared to +c-wing regions due to the presence of higher density of stacking faults and threading dislocations. The emission from the +c-wings was very bright and relatively uniform across the sample, which is indicative of a homogeneous In distribution.

Radiation response of nanotwinned Cu under multiple-collision cascades

NASA Astrophysics Data System (ADS)

Wu, Lianping; Yu, Wenshan; Hu, Shuling; Shen, Shengping

2018-07-01

In this paper, multiple collision cascades (MCC) of nanotwinned (nt) Cu with three different twin spacings are performed to model the response of nt Cu upon a radiation dose of 1 displacements per atom (dpa). Considering the defects developed with high randomness in the material during a MCC process, each MCC in a nt Cu is conducted for eight times. This enables us to analyze some average properties of defect clusters in the radiated nt Cu with different twin spacings at the different radiation doses. We also analyze the microstructural evolution in the nt Cu during the MCC. Smaller size of defect clusters and lower defect density are seen in the nt Cu with smaller twin spacing. In addition, a number of defect clusters could be removed via their frequent interactions with the coherent twin boundaries (CTBs) during the MCC. This induces either the migration of CTBs or the healing of CTBs. Moreover, the potential formation and elimination mechanisms of stacking fault are found to be due to the climb of Frank partial dislocation and glide of Shockley partial dislocations. This study provides further evidence on the irradiation tolerance of CTBs and the self-healing capability of CTBs in response to radiation.

Intrinsic Bauschinger effect and recoverable plasticity in pentatwinned silver nanowires tested in tension.

PubMed

Bernal, Rodrigo A; Aghaei, Amin; Lee, Sangjun; Ryu, Seunghwa; Sohn, Kwonnam; Huang, Jiaxing; Cai, Wei; Espinosa, Horacio

2015-01-14

Silver nanowires are promising components of flexible electronics such as interconnects and touch displays. Despite the expected cyclic loading in these applications, characterization of the cyclic mechanical behavior of chemically synthesized high-quality nanowires has not been reported. Here, we combine in situ TEM tensile tests and atomistic simulations to characterize the cyclic stress-strain behavior and plasticity mechanisms of pentatwinned silver nanowires with diameters thinner than 120 nm. The experimental measurements were enabled by a novel system allowing displacement-controlled tensile testing of nanowires, which also affords higher resolution for capturing stress-strain curves. We observe the Bauschinger effect, that is, asymmetric plastic flow, and partial recovery of the plastic deformation upon unloading. TEM observations and atomistic simulations reveal that these processes occur due to the pentatwinned structure and emerge from reversible dislocation activity. While the incipient plastic mechanism through the nucleation of stacking fault decahedrons (SFDs) is fully reversible, plasticity becomes only partially reversible as intersecting SFDs lead to dislocation reactions and entanglements. The observed plastic recovery is expected to have implications to the fatigue life and the application of silver nanowires to flexible electronics.

Effects of laser-shock processing on the microstructure and surface mechanical properties of hadfield manganese steel

NASA Astrophysics Data System (ADS)

Chu, J. P.; Rigsbee, J. M.; Banaś, G.; Lawrence, F. V.; Elsayed-Ali, H. E.

1995-06-01

The effects of laser-shock processing (LSP) on the microstructure, hardness, and residual stress of Hadfield manganese (1 pct C and 14 pct Mn) steels were studied. Laser-shock processing was performed using a Nd: glass phosphate laser with 600 ps pulse width and up to 120 J/pulse energy at power density above 1012 W/cm2. The effects of cold rolling and shot peening were also studied for comparison. Laser-shock processing caused extensive formation of ɛ hexagonal close-packed (hep) martensite (35 vol pct), producing up to a 130 pct increase of surface hardness. The surface hardness increase was 40 to 60 pct for the shot-peened specimen and about 60 pct for the cold-rolled specimen. The LSP strengthening effect on Hadfield steel was attributed to the combined effects of the partial dislocation/stacking fault arrays and the grain refinement due to the presence of the ɛ-hcp martensite. For the cold-rolled and shot-peened specimens, the strengthening was a result of ɛ-hcp martensite and twins with dislocation effects, respectively. Shot peening resulted in a relatively higher compressive residual stress throughout the specimen than LSP.

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

NASA Astrophysics Data System (ADS)

Trzynadlowski, Bart

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

Stacking Faults and Mechanical Behavior beyond the Elastic Limit of an Imidazole-Based Metal Organic Framework: ZIF-8.

PubMed

Hegde, Vinay I; Tan, Jin-Chong; Waghmare, Umesh V; Cheetham, Anthony K

2013-10-17

We determine the nonlinear mechanical behavior of a prototypical zeolitic imidazolate framework (ZIF-8) along two modes of mechanical failure in response to tensile and shear forces using first-principles simulations. Our generalized stacking fault energy surface reveals an intrinsic stacking fault of surprisingly low energy comparable to that in copper, though the energy barrier associated with its formation is much higher. The lack of vibrational spectroscopic evidence for such faults in experiments can be explained with the structural instability of the barrier state to form a denser and disordered state of ZIF-8 seen in our analysis, that is, large shear leads to its amorphization rather than formation of faults.

Restoring defect structures in 3C-SiC/Si (001) from spherical aberration-corrected high-resolution transmission electron microscope images by means of deconvolution processing.

PubMed

Wen, C; Wan, W; Li, F H; Tang, D

2015-04-01

The [110] cross-sectional samples of 3C-SiC/Si (001) were observed with a spherical aberration-corrected 300 kV high-resolution transmission electron microscope. Two images taken not close to the Scherzer focus condition and not representing the projected structures intuitively were utilized for performing the deconvolution. The principle and procedure of image deconvolution and atomic sort recognition are summarized. The defect structure restoration together with the recognition of Si and C atoms from the experimental images has been illustrated. The structure maps of an intrinsic stacking fault in the area of SiC, and of Lomer and 60° shuffle dislocations at the interface have been obtained at atomic level. Copyright © 2015 Elsevier Ltd. All rights reserved.

Low-Temperature epitaxial growth of InGaAs films on InP(100) and InP(411) A substrates

NASA Astrophysics Data System (ADS)

Galiev, G. B.; Klimova, E. A.; Pushkarev, S. S.; Klochkov, A. N.; Trunkin, I. N.; Vasiliev, A. L.; Maltsev, P. P.

2017-07-01

The structural and electrical characteristics of In0.53Ga0.47As epitaxial films, grown in the low-temperature mode on InP substrates with (100) and (411) A crystallographic orientations at flow ratios of As4 molecules and In and Ga atoms of γ = 29 and 90, have been comprehensively studied. The use of InP(411) A substrates is shown to increase the probability of forming two-dimensional defects (twins, stacking faults, dislocations, and grain boundaries), thus reducing the mobility of free electrons, and AsGa point defects, which act as donors and increase the free-electron concentration. An increase in γ from 29 to 90 leads to transformation of single-crystal InGaAs films grown on (100) and (411) A substrates into polycrystalline ones.

Chemical spray pyrolyzed kesterite Cu2ZnSnS4 (CZTS) thin films

NASA Astrophysics Data System (ADS)

Khalate, S. A.; Kate, R. S.; Deokate, R. J.

2018-04-01

Pure kesterite phase thin films of Cu2ZnSnS4 (CZTS) were synthesized at different substrate temperatures using sulphate precursors by spray pyrolysis method. The significance of synthesis temperature on the structural, morphological and optical properties has been studied. The X-ray analysis assured that synthesized CZTS thin films showing pure kesterite phase. The value of crystallite size was found maximum at the substrate temperature 400 °C. At the same temperature, microstructural properties such as dislocation density, micro-strain and stacking fault probability were found minimum. The morphological examination designates the development of porous and uniform CZTS thin films. The synthesized CZTS thin films illustrate excellent optical absorption (105 cm-1) in the visible band and the optical band gap varies in the range of 1.489 eV to 1.499 eV.

Plasticity of the dense hydrous magnesium silicate phase A at subduction zones conditions

DOE PAGES

Gouriet, K.; Hilairet, N.; Amiguet, E.; ...

2015-09-12

The plasticity of the dense hydrous magnesium silicate (DHMS) phase A, a key hydrous mineral within cold subduction zones, was investigated by two complementary approaches: high-pressure deformation experiments and computational methods. The deformation experiments were carried out at 11 GPa, 400 and 580 °C, with in situ measurements of stress, strain and lattice preferred orientations (LPO). Based on viscoplastic self-consistent modeling (VPSC) of the observed LPO, the deformation mechanisms at 580 °C are consistent with glide on the (0 0 0 1) basal and prismatic planes. At 400 °C the deformation mechanisms involve glide on prismatic, (0 0 0 1)more » basal and pyramidal planes. Both give flow stresses of 2.5–3 GPa at strain rates of 2–4 × 10-5 s-1. We use the Peierls–Nabarro–Galerkin (PNG) approach, relying on first-principles calculations of generalized stacking fault (γ-surface), and model the core structure of potential dislocations in basal and prismatic planes. The computations show multiple dissociations of the and dislocations (⟨a⟩ and ⟨b⟩ dislocations) in the basal plane, which is compatible with the ubiquity of basal slip in the experiments. The γ-surface calculations also suggest and dislocations (⟨a+c⟩ or ⟨c-b⟩ directions) in prismatic and pyramidal planes, which is also consistent with the experimental data. Phase A has a higher flow strength than olivine. When forming at depths from the dehydration of weak and highly anisotropic hydrated ultramafic rocks, phase A may not maintain the mechanical softening antigorite can provide. The seismic properties calculated for moderately deformed aggregates suggest that S-wave seismic anisotropy of phase A-bearing rocks is lower than hydrous subduction zone lithologies such as serpentinites and blueschists.« less

High spatial resolution correlated investigation of Zn segregation to stacking faults in ZnTe/CdSe nanostructures

NASA Astrophysics Data System (ADS)

Bonef, Bastien; Grenier, Adeline; Gerard, Lionel; Jouneau, Pierre-Henri; André, Regis; Blavette, Didier; Bougerol, Catherine

2018-02-01

The correlative use of atom probe tomography (APT) and energy dispersive x-ray spectroscopy in scanning transmission electron microscopy (STEM) allows us to characterize the structure of ZnTe/CdSe superlattices at the nanometre scale. Both techniques reveal the segregation of zinc along [111] stacking faults in CdSe layers, which is interpreted as a manifestation of the Suzuki effect. Quantitative measurements reveal a zinc enrichment around 9 at. % correlated with a depletion of cadmium in the stacking faults. Raw concentration data were corrected so as to account for the limited spatial resolution of both STEM and APT techniques. A simple calculation reveals that the stacking faults are almost saturated in Zn atoms (˜66 at. % of Zn) at the expense of Cd that is depleted.

Self-assembled InN quantum dots on side facets of GaN nanowires

NASA Astrophysics Data System (ADS)

Bi, Zhaoxia; Ek, Martin; Stankevic, Tomas; Colvin, Jovana; Hjort, Martin; Lindgren, David; Lenrick, Filip; Johansson, Jonas; Wallenberg, L. Reine; Timm, Rainer; Feidenhans'l, Robert; Mikkelsen, Anders; Borgström, Magnus T.; Gustafsson, Anders; Ohlsson, B. Jonas; Monemar, Bo; Samuelson, Lars

2018-04-01

Self-assembled, atomic diffusion controlled growth of InN quantum dots was realized on the side facets of dislocation-free and c-oriented GaN nanowires having a hexagonal cross-section. The nanowires were synthesized by selective area metal organic vapor phase epitaxy. A 3 Å thick InN wetting layer was observed after growth, on top of which the InN quantum dots formed, indicating self-assembly in the Stranski-Krastanow growth mode. We found that the InN quantum dots can be tuned to nucleate either preferentially at the edges between GaN nanowire side facets, or directly on the side facets by tuning the adatom migration by controlling the precursor supersaturation and growth temperature. Structural characterization by transmission electron microscopy and reciprocal space mapping show that the InN quantum dots are close to be fully relaxed (residual strain below 1%) and that the c-planes of the InN quantum dots are tilted with respect to the GaN core. The strain relaxes mainly by the formation of misfit dislocations, observed with a periodicity of 3.2 nm at the InN and GaN hetero-interface. The misfit dislocations introduce I1 type stacking faults (…ABABCBC…) in the InN quantum dots. Photoluminescence investigations of the InN quantum dots show that the emissions shift to higher energy with reduced quantum dot size, which we attribute to increased quantum confinement.

Crystallographic tilt and in-plane anisotropies of an a-plane InGaN/GaN layered structure grown by MOCVD on r-plane sapphire using a ZnO buffer

NASA Astrophysics Data System (ADS)

Liu, H. F.; Liu, W.; Guo, S.; Chi, D. Z.

2016-03-01

High-resolution x-ray diffraction (HRXRD) was used to investigate the crystallographic tilts and structural anisotropies in epitaxial nonpolar a-plane InGaN/GaN grown by metal-organic chemical vapor deposition on r-plane sapphire using a ZnO buffer. The substrate had an unintentional miscut of 0.14° towards its [-4 2 2 3] axis. However, HRXRD revealed a tilt of 0.26° (0.20°) between the ZnO (GaN) (11-20) and the Al2O3 (1-102) atomic planes, with the (11-20) axis of ZnO (GaN) tilted towards its c-axis, which has a difference of 163° in azimuth from that of the substrate’s miscut. Excess broadenings in the GaN/ZnO (11-20) rocking curves (RCs) were observed along its c-axis. Specific analyses revealed that partial dislocations and anisotropic in-plane strains, rather than surface-related effects, wafer curvature or stacking faults, are the dominant factors for the structural anisotropy. The orientation of the partial dislocations is most likely affected by the miscut of the substrate, e.g. via tilting of the misfit dislocation gliding planes created during island coalescences. Their Burgers vector components in the growth direction, in turn, gave rise to crystallographic tilts in the same direction as that of the excess RC-broadenings.

The role of strain hardening in the transition from dislocation-mediated to frictional deformation of marbles within the Karakoram Fault Zone, NW India

NASA Astrophysics Data System (ADS)

Wallis, David; Lloyd, Geoffrey E.; Hansen, Lars N.

2018-02-01

The onset of frictional failure and potentially seismogenic deformation in carbonate rocks undergoing exhumation within fault zones depends on hardening processes that reduce the efficiency of aseismic dislocation-mediated deformation as temperature decreases. However, few techniques are available for quantitative analysis of dislocation slip system activity and hardening in natural tectonites. Electron backscatter diffraction maps of crystal orientations offer one such approach via determination of Schmid factors, if the palaeostress conditions can be inferred and the critical resolved shear stresses of slip systems are constrained. We analyse calcite marbles deformed in simple shear within the Karakoram Fault Zone, NW India, to quantify changes in slip system activity as the rocks cooled during exhumation. Microstructural evidence demonstrates that between ∼300 °C and 200-250 °C the dominant deformation mechanisms transitioned from dislocation-mediated flow to twinning and frictional failure. However, Schmid factor analysis, considering critical resolved shear stresses for yield of undeformed single crystals, indicates that the fraction of grains with sufficient resolved shear stress for glide apparently increased with decreasing temperature. Misorientation analysis and previous experimental data indicate that strain-dependent work hardening is responsible for this apparent inconsistency and promoted the transition from dislocation-mediated flow to frictional, and potentially seismogenic, deformation.

Relationship between displacement and gravity change of Uemachi faults and surrounding faults of Osaka basin, Southwest Japan

NASA Astrophysics Data System (ADS)

Inoue, N.; Kitada, N.; Kusumoto, S.; Itoh, Y.; Takemura, K.

2011-12-01

The Osaka basin surrounded by the Rokko and Ikoma Ranges is one of the typical Quaternary sedimentary basins in Japan. The Osaka basin has been filled by the Pleistocene Osaka group and the later sediments. Several large cities and metropolitan areas, such as Osaka and Kobe are located in the Osaka basin. The basin is surrounded by E-W trending strike slip faults and N-S trending reverse faults. The N-S trending 42-km-long Uemachi faults traverse in the central part of the Osaka city. The Uemachi faults have been investigated for countermeasures against earthquake disaster. It is important to reveal the detailed fault parameters, such as length, dip and recurrence interval, so on for strong ground motion simulation and disaster prevention. For strong ground motion simulation, the fault model of the Uemachi faults consist of the two parts, the north and south parts, because of the no basement displacement in the central part of the faults. The Ministry of Education, Culture, Sports, Science and Technology started the project to survey of the Uemachi faults. The Disaster Prevention Institute of Kyoto University is carried out various surveys from 2009 to 2012 for 3 years. The result of the last year revealed the higher fault activity of the branch fault than main faults in the central part (see poster of "Subsurface Flexure of Uemachi Fault, Japan" by Kitada et al., in this meeting). Kusumoto et al. (2001) reported that surrounding faults enable to form the similar basement relief without the Uemachi faults model based on a dislocation model. We performed various parameter studies for dislocation model and gravity changes based on simplified faults model, which were designed based on the distribution of the real faults. The model was consisted 7 faults including the Uemachi faults. The dislocation and gravity change were calculated based on the Okada et al. (1985) and Okubo et al. (1993) respectively. The results show the similar basement displacement pattern to the Kusumoto et al. (2001) and no characteristic gravity change pattern. The Quantitative estimation is further problem.

Effect of stacking faults on the photoluminescence spectrum of zincblende GaN

NASA Astrophysics Data System (ADS)

Church, S. A.; Hammersley, S.; Mitchell, P. W.; Kappers, M. J.; Lee, L. Y.; Massabuau, F.; Sahonta, S. L.; Frentrup, M.; Shaw, L. J.; Wallis, D. J.; Humphreys, C. J.; Oliver, R. A.; Binks, D. J.; Dawson, P.

2018-05-01

The photoluminescence spectra of a zincblende GaN epilayer grown via metal-organic chemical vapour deposition upon 3C-SiC/Si (001) substrates were investigated. Of particular interest was a broad emission band centered at 3.4 eV, with a FWHM of 200 meV, which extends above the bandgap of both zincblende and wurtzite GaN. Photoluminescence excitation measurements show that this band is associated with an absorption edge centered at 3.6 eV. Photoluminescence time decays for the band are monoexponential, with lifetimes that reduce from 0.67 ns to 0.15 ns as the recombination energy increases. TEM measurements show no evidence of wurtzite GaN inclusions which are typically used to explain emission in this energy range. However, dense stacking fault bunches are present in the epilayers. A model for the band alignment at the stacking faults was developed to explain this emission band, showing how both electrons and holes can be confined adjacent to stacking faults. Different stacking fault separations can change the carrier confinement energies sufficiently to explain the width of the emission band, and change the carrier wavefunction overlap to account for the variation in decay time.

Characterization of individual straight and kinked boron carbide nanowires

NASA Astrophysics Data System (ADS)

Cui, Zhiguang

Boron carbides represent a class of ceramic materials with p-type semiconductor natures, complex structures and a wide homogeneous range of carbon compositions. Bulk boron carbides have long been projected as promising high temperature thermoelectric materials, but with limited performance. Bringing the bulk boron carbides to low dimensions (e.g., nanowires) is believed to be an option to enhance their thermoelectric performance because of the quantum size effects. However, the fundamental studies on the microstructure-thermal property relation of boron carbide nanowires are elusive. In this dissertation work, systematic structural characterization and thermal conductivity measurement of individual straight and kinked boron carbide nanowires were carried out to establish the true structure-thermal transport relation. In addition, a preliminary Raman spectroscopy study on identifying the defects in individual boron carbide nanowires was conducted. After the synthesis of single crystalline boron carbide nanowires, straight nanowires accompanied by the kinked ones were observed. Detailed structures of straight boron carbide nanowires have been reported, but not the kinked ones. After carefully examining tens of kinked nanowires utilizing Transmission Electron Microscopy (TEM), it was found that they could be categorized into five cases depending on the stacking faults orientations in the two arms of the kink: TF-TF, AF-TF, AF-AF, TF-IF and AF-IF kinks, in which TF, AF and IF denotes transverse faults (preferred growth direction perpendicular to the stacking fault planes), axial faults (preferred growth direction in parallel with the stacking fault planes) and inclined faults (preferred growth direction neither perpendicular to nor in parallel with the stacking fault planes). Simple structure models describing the characteristics of TF-TF, AF-TF, AF-AF kinked nanowires are constructed in SolidWorks, which help to differentiate the kinked nanowires viewed from the zone axes where stacking faults are invisible. In collaboration with the experts in the field of thermal property characterization of one dimensional nanostructures, thermal conductivities of over 60 nanowires including both straight and kinked ones have been measured in the temperature range of 20 - 420 K and the parameters (i.e., carbon contents, diameters, stacking faults densities/orientations and kinks) affecting the phonon transport were explored. The results disclose strong carbon content and diameter dependence of thermal conductivities of boron carbide nanowires, which decreases as lowering the carbon content and diameter. Stacking fault orientations do modulate the phonon transport (kappaTF < kappa AF), while stacking fault densities seems to only have obvious effects on phonon transport when meeting certain threshold ( 39%). The most interesting discovery is significant reduction of thermal conductivity (15% - 40%) in kinked boron carbide nanowires due to phonon mode conversions and scattering at the kink site. Last but not least, micro-Raman spectroscopy study on individual boron carbide nanowires has been performed for the first time, to the best of our knowledge. Based on the preliminary data, it is found that the stacking fault orientations have no apparent effect on the Raman scattering, but the stacking fault densities do. In addition, up as the size going down to nanoscale, some Raman modes are inactive while some new ones show up, which is largely ascribed to the quantum confinement effects. One more important finding is that the carbon content also plays important role in the Raman scattering of boron carbide nanowires in the low frequency region (< 600 cm-1), which mainly comes from the 3-atom chains (C-B-C or C-B-B).

New theory for Mode I crack-tip dislocation emission

NASA Astrophysics Data System (ADS)

Andric, Predrag; Curtin, W. A.

2017-09-01

A material is intrinsically ductile under Mode I loading when the critical stress intensity KIe for dislocation emission is lower than the critical stress intensity KIc for cleavage. KIe is usually evaluated using the approximate Rice theory, which predicts a dependence on the elastic constants and the unstable stacking fault energy γusf for slip along the plane of dislocation emission. Here, atomistic simulations across a wide range of fcc metals show that KIe is systematically larger (10-30%) than predicted. However, the critical (crack tip) shear displacement is up to 40% smaller than predicted. The discrepancy arises because Mode I emission is accompanied by the formation of a surface step that is not considered in the Rice theory. A new theory for Mode I emission is presented based on the ideas that (i) the stress resisting step formation at the crack tip creates "lattice trapping" against dislocation emission such that (ii) emission is due to a mechanical instability at the crack tip. The new theory is formulated using a Peierls-type model, naturally includes the energy to form the step, and reduces to the Rice theory (no trapping) when the step energy is small. The new theory predicts a higher KIe at a smaller critical shear displacement, rationalizing deviations of simulations from the Rice theory. Specific predictions of KIe for the simulated materials, usually requiring use of the measured critical crack tip shear displacement due to complex material non-linearity, show very good agreement with simulations. An analytic model involving only γusf, the surface energy γs, and anisotropic elastic constants is shown to be quite accurate, serves as a replacement for the analytical Rice theory, and is used to understand differences between Rice theory and simulation in recent literature. The new theory highlights the role of surface steps created by dislocation emission in Mode I, which has implications not only for intrinsic ductility but also for crack tip twinning and fracture due to chemical interactions at the crack tip.

Study of defect structures in 6H-SiC a/m-plane pseudofiber crystals grown by hot-wall CVD epitaxy

DOE PAGES

Goue, Ouloide Y.; Raghothamachar, Balaji; Yang, Yu; ...

2015-11-25

Structural perfection of silicon carbide (SiC) single crystals is essential to achieve high-performance power devices. A new bulk growth process for SiC proposed by researchers at NASA Glenn Research Center, called large tapered crystal (LTC) growth, based on axial fiber growth followed by lateral expansion, could produce SiC boules with potentially as few as one threading screw dislocation per wafer. In this study, the lateral expansion aspect of LTC growth is addressed through analysis of lateral growth of 6H-SiC a/m-plane seed crystals by hot-wall chemical vapor deposition. Preliminary synchrotron white-beam x-ray topography (SWBXT) indicates that the as-grown boules match themore » polytype structure of the underlying seed and have a faceted hexagonal morphology with a strain-free surface marked by steps. SWBXT Laue diffraction patterns of transverse and axial slices of the boules reveal streaks suggesting the existence of stacking faults/polytypes, and this is confirmed by micro-Raman spectroscopy. Transmission x-ray topography of both transverse and axial slices reveals inhomogeneous strains at the seed–epilayer interface and linear features propagating from the seed along the growth direction. Micro-Raman mapping of an axial slice reveals that the seed contains high stacking disorder, while contrast extinction analysis (g·b and g·b×l) of the linear features reveals that these are mostly edge-type basal plane dislocations. Further high-resolution transmission electron microscopy investigation of the seed–homoepilayer interface also reveals nanobands of different SiC polytypes. A model for their formation mechanism is proposed. Lastly, the implication of these results for improving the LTC growth process is addressed.« less

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces

DOE PAGES

Gruber, J.; Zhou, X. W.; Jones, R. E.; ...

2017-05-15

Here, we investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and (11more » $$\\bar{2}$$0) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of InxGa1-xN-alloy compositions (0 ≤ x ≤ 0.4) and homologous growth temperatures [0.50 ≤ T/T* m(x) ≤ 0.90], where T* m(x) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar (11$$\\bar{2}$$0) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. Finally, while the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.« less

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces

NASA Astrophysics Data System (ADS)

Gruber, J.; Zhou, X. W.; Jones, R. E.; Lee, S. R.; Tucker, G. J.

2017-05-01

We investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and ( 11 2 ¯ 0 ) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of InxGa1-xN-alloy compositions (0 ≤ x ≤ 0.4) and homologous growth temperatures [0.50 ≤ T/T*m(x) ≤ 0.90], where T*m(x) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar ( 11 2 ¯ 0 ) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. While the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.

Molecular dynamics studies of defect formation during heteroepitaxial growth of InGaN alloys on (0001) GaN surfaces.

PubMed

Gruber, J; Zhou, X W; Jones, R E; Lee, S R; Tucker, G J

2017-05-21

We investigate the formation of extended defects during molecular-dynamics (MD) simulations of GaN and InGaN growth on (0001) and ([Formula: see text]) wurtzite-GaN surfaces. The simulated growths are conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN surface; we apply time-and-position-dependent boundary constraints that vary the ensemble treatments of the vapor-phase, the near-surface solid-phase, and the bulk-like regions of the growing layer. The simulations employ newly optimized Stillinger-Weber In-Ga-N-system potentials, wherein multiple binary and ternary structures are included in the underlying density-functional-theory training sets, allowing improved treatment of In-Ga-related atomic interactions. To examine the effect of growth conditions, we study a matrix of >30 different MD-growth simulations for a range of In x Ga 1-x N-alloy compositions (0 ≤  x  ≤ 0.4) and homologous growth temperatures [0.50 ≤  T/T * m ( x ) ≤ 0.90], where T * m ( x ) is the simulated melting point. Growths conducted on polar (0001) GaN substrates exhibit the formation of various extended defects including stacking faults/polymorphism, associated domain boundaries, surface roughness, dislocations, and voids. In contrast, selected growths conducted on semi-polar ([Formula: see text]) GaN, where the wurtzite-phase stacking sequence is revealed at the surface, exhibit the formation of far fewer stacking faults. We discuss variations in the defect formation with the MD growth conditions, and we compare the resulting simulated films to existing experimental observations in InGaN/GaN. While the palette of defects observed by MD closely resembles those observed in the past experiments, further work is needed to achieve truly predictive large-scale simulations of InGaN/GaN crystal growth using MD methodologies.

Strong carrier localization in stacking faults in semipolar (11-22) GaN

NASA Astrophysics Data System (ADS)

Okur, Serdal; Monavarian, Morteza; Das, Saikat; Izyumskaya, Natalia; Zhang, Fan; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit

2015-03-01

The effects of stacking faults (SFs) on optical processes in epitaxially grown semipolar (1122) GaN on m-sapphire substrate have been investigated in detail using steady-state photoluminescence (PL) and time- and polarization-resolved PL. We demonstrate that the carrier recombination dynamics are substantially influenced due to strong carrier localization in the stacking faults. In addition to nonradiative recombination, carrier trapping/detrapping and carrier transfer between the stacking faults and donors are also found to be among the mechanisms affecting the recombination dynamics at different temperatures. PL decay times of both I1-type BSF and 3.31 eV SF (E-type BSF or prismatic stacking fault) do not show temperature dependence up to 80 K while 3.31 eV SF exhibits longer PL decay times (~3 ns) at low temperatures as compared to I1-type BSF (~1 ns), indicative of lower efficiency for radiative recombination. After 80 K, PL decay times decreased by power of ~-1 and ~-2 for 3.31 eV SF and I1-type BSF, respectively. It is obtained from radiative decay times with respect to temperature that the carrier localization becomes higher in I1-type BSF compared to 3.31 eV SF increasing the temperature. I1-type BSF also shows higher PL intensity, which is attributed to larger density, and therefore, larger contribution to recombination dynamics as compared to other type of stacking faults. Polarization-resolved PL measurements also revealed that the degree of polarization for the I1-type BSF (0.30) was twice that for the 3.31 eV SF.

Dislocation model for aseismic fault slip in the transverse ranges of Southern California

NASA Technical Reports Server (NTRS)

Cheng, A.; Jackson, D. D.; Matsuura, M.

1985-01-01

Geodetic data at a plate boundary can reveal the pattern of subsurface displacements that accompany plate motion. These displacements are modelled as the sum of rigid block motion and the elastic effects of frictional interaction between blocks. The frictional interactions are represented by uniform dislocation on each of several rectangular fault patches. The block velocities and fault parameters are then estimated from geodetic data. Bayesian inversion procedure employs prior estimates based on geological and seismological data. The method is applied to the Transverse Ranges, using prior geological and seismological data and geodetic data from the USGS trilateration networks. Geodetic data imply a displacement rate of about 20 mm/yr across the San Andreas Fault, while the geologic estimates exceed 30 mm/yr. The prior model and the final estimates both imply about 10 mm/yr crustal shortening normal to the trend of the San Andreas Fault. Aseismic fault motion is a major contributor to plate motion. The geodetic data can help to identify faults that are suffering rapid stress accumulation; in the Transverse Ranges those faults are the San Andreas and the Santa Susana.

Dual mechanisms of grain refinement in a FeCoCrNi high-entropy alloy processed by high-pressure torsion

PubMed Central

Wu, Wenqian; Song, Min; Ni, Song; Wang, Jingshi; Liu, Yong; Liu, Bin; Liao, Xiaozhou

2017-01-01

An equiatomic FeCoCrNi high-entropy alloy with a face-centered cubic structure was fabricated by a powder metallurgy route, and then processed by high-pressure torsion. Detailed microscopy investigations revealed that grain refinement from coarse grains to nanocrystalline grains occurred mainly via concurrent nanoband (NB) subdivision and deformation twinning. NB–NB, twin–NB and twin–twin interactions contributed to the deformation process. The twin–twin interactions resulted in severe lattice distortion and accumulation of high densities of dislocations in the interaction areas. With increasing strain, NB subdivision and interactions between primary twins and inclined secondary stacking faults (SFs)/nanotwins occurred. Secondary nanotwins divided the primary twins into many equiaxed parts, leading to further grain refinement. The interactions between secondary SFs/nanotwins associated with the presence of Shockley partials and primary twins also transformed the primary twin boundaries into incoherent high-angle grain boundaries. PMID:28429759

Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2014-11-01

Resolving atomic-scale defect topologies and energetics with accurate atomistic interaction models provides access to the nonlinear phenomena inherent at atomic length and time scales. Coarse graining the dynamics of such simulations to look at the migration of, e.g., solute atoms, while retaining the rich atomic-scale detail required to properly describe defects, is a particular challenge. In this paper, we present an adaptation of the recently developed "diffusive molecular dynamics" model to describe the energetics and kinetics of binary alloys on diffusive time scales. The potential of the technique is illustrated by applying it to the classic problems of solute segregation to a planar boundary (stacking fault) and edge dislocation in the Al-Mg system. Our approach provides fully dynamical solutions in situations with an evolving energy landscape in a computationally efficient way, where atomistic kinetic Monte Carlo simulations are difficult or impractical to perform.

Atomic electron tomography: 3D structures without crystals

DOE PAGES

Miao, Jianwei; Ercius, Peter; Billinge, S. J. L.

2016-09-23

Crystallography has been fundamental to the development of many fields of science over the last century. However, much of our modern science and technology relies on materials with defects and disorders, and their three-dimensional (3D) atomic structures are not accessible to crystallography. One method capable of addressing this major challenge is atomic electron tomography. By combining advanced electron microscopes and detectors with powerful data analysis and tomographic reconstruction algorithms, it is now possible to determine the 3D atomic structure of crystal defects such as grain boundaries, stacking faults, dislocations, and point defects, as well as to precisely localize the 3Dmore » coordinates of individual atoms in materials without assuming crystallinity. In this work, we review the recent advances and the interdisciplinary science enabled by this methodology. We also outline further research needed for atomic electron tomography to address long-standing unresolved problems in the physical sciences.« less

Microstructural studies by TEM of diamond films grown by combustion flame

NASA Astrophysics Data System (ADS)

Ma, G.-H. M.; Hirose, Y.; Amanuma, S.; McClure, M.; Prater, J. T.; Glass, J. T.

Microstructures of diamond films grown in an oxygen-acetylene combustion flame were studied by TEM. The O2/C2H2 gas ratio was fixed and the substrate materials and temperature were varied. High quality diamond films were grown by this method at high growth rates of about 30 micron/hr. A rough surface and high density of secondary nucleation sites and microtwins were observed in the diamond grains grown on molybdenum (Mo) at a substrate temperature of 500 C. When the substrate temperature wass raised to between 500 and 870 C, the defect density was greatly reduced, revealing a low density of stacking faults and dislocations. Diamond films grown on Si substrates did not show the same substrate temperature dependence on defect density, at least not over the same temperature range. However, the same correlation between defect density, secondary nucleation, and surface morphology was observed.

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

Miao, Jianwei; Ercius, Peter; Billinge, S. J. L.

Crystallography has been fundamental to the development of many fields of science over the last century. However, much of our modern science and technology relies on materials with defects and disorders, and their three-dimensional (3D) atomic structures are not accessible to crystallography. One method capable of addressing this major challenge is atomic electron tomography. By combining advanced electron microscopes and detectors with powerful data analysis and tomographic reconstruction algorithms, it is now possible to determine the 3D atomic structure of crystal defects such as grain boundaries, stacking faults, dislocations, and point defects, as well as to precisely localize the 3Dmore » coordinates of individual atoms in materials without assuming crystallinity. In this work, we review the recent advances and the interdisciplinary science enabled by this methodology. We also outline further research needed for atomic electron tomography to address long-standing unresolved problems in the physical sciences.« less

Anisotropic structural and optical properties of semi-polar (11-22) GaN grown on m-plane sapphire using double AlN buffer layers.

PubMed

Zhao, Guijuan; Wang, Lianshan; Yang, Shaoyan; Li, Huijie; Wei, Hongyuan; Han, Dongyue; Wang, Zhanguo

2016-02-10

We report the anisotropic structural and optical properties of semi-polar (11-22) GaN grown on m-plane sapphire using a three-step growth method which consisted of a low temperature AlN buffer layer, followed by a high temperature AlN buffer layer and GaN growth. By introducing double AlN buffer layers, we substantially improve the crystal and optical qualities of semi-polar (11-22) GaN, and significantly reduce the density of stacking faults and dislocations. The high resolution x-ray diffraction measurement revealed that the in-plane anisotropic structural characteristics of GaN layer are azimuthal dependent. Transmission electron microscopy analysis showed that the majority of dislocations in the GaN epitaxial layer grown on m-sapphire are the mixed-type and the orientation of GaN layer was rotated 58.4° against the substrate. The room temperature photoluminescence (PL) spectra showed the PL intensity and wavelength have polarization dependence along parallel and perpendicular to the [1-100] axis (polarization degrees ~ 0.63). The realization of a high polarization semi-polar GaN would be useful to achieve III-nitride based lighting emission device for displays and backlighting.

Slip and Twinning in the [ 1 ¯ $ /line{mathbf{1}} $ 49]-Oriented Single Crystals of a High-Entropy Alloy

NASA Astrophysics Data System (ADS)

Kireeva, I. V.; Chumlyakov, Yu. I.; Pobedennaya, Z. V.; Platonova, Yu. N.; Kuksgauzen, I. V.; Kuksgauzen, D. A.; Poklonov, V. V.; Karaman, I.; Sehitoglu, H.

2016-12-01

Using [ overline{1} 49] - oriented single crystals of an FCC Fe20Ni20Mn20Cr20Co20 (at.%) high-entropy alloy subjected to tensile deformation, the temperature dependence of critical resolved shear stresses τcr(T) and the deformation mechanism of slip and twinning are investigated in the early stages of deformation at ɛ ≤ 5% within the temperature interval T = 77-573 K. It is shown that τcr increases with decreasing the testing temperature and the τcr(T) temperature dependence is controlled by the slip of perfect dislocations a/2<110>. The early deformation stages ɛ ≤ 5% are associated with the development of planar slip by pileups of perfect dislocations a/2<110>, stacking faults and mechanical twins, which is observed in the temperature interval from 77 to 423 K. A comparison of the temperature dependence τcr(T) and the development of mechanical twinning is performed between the [ overline{1} 49] -oriented single crystals of the Fe20Ni20Mn20Cr20Co20 high-entropy alloy, the single crystals of the austenitic stainless steel, Fe - 18% Cr - 12% Ni - 2Mo (wt.%) without nitrogen atoms (Steel 316) and Hadfield steel, Fe - 13% Mn - (1-1.3)% C (wt.%).

Comparison of the quality of single-crystal diamonds grown on two types of seed substrates by MPCVD

NASA Astrophysics Data System (ADS)

Zhao, Yun; Guo, Yanzhao; Lin, Liangzhen; Zheng, Yuting; Hei, Lifu; Liu, Jinlong; Wei, Junjun; Chen, Liangxian; Li, Chengming

2018-06-01

Microwave plasma chemical vapor deposition (MPCVD) was used to grow single-crystal diamonds on two types of single-crystal diamond seed substrates prepared by high-pressure, high-temperature (HPHT) and chemical vapor deposition (CVD) methods. The quality of diamonds grown on the different seed substrates was compared. Fluorescence characteristics showed that the sectors of the HPHT seed substrates were obviously partitioned. Raman and absorption spectra showed that the CVD seed substrate produced higher-quality crystals with fewer nitrogen impurities. X-ray topography showed that the HPHT seed substrate had obvious growth sector boundaries, inclusions, dislocations, and stacking faults. The polarization characteristics of HPHT seed substrate were obvious, and the stress distribution was not uniform. When etching HPHT and CVD seed substrates using the same parameters, the etching morphology and extent of different growth sectors of the two substrates differed. Although extended defects were inevitably formed at the interface and propagated in the CVD layer, the dislocation density of a 1 mm-thick CVD layer grown on a CVD seed substrate was only half that of a 1 mm-thick CVD layer grown on an HPHT seed substrate. Therefore, the use of CVD seed substrate enabled the growth of a relatively higher-quality CVD single-crystal diamond.

Effect of substrate orientation on CdS homoepitaxy by molecular dynamics

DOE PAGES

Almeida, S.; Chavez, J. J.; Zhou, X. W.; ...

2016-02-10

CdS homoepitaxy growth was performed by molecular dynamics using different substrate orientations and structures in order to analyze the CdS crystallinity. As anticipated from thermodynamics of homoepitaxy, highly crystalline films with only point defects were obtained on substrates with rectangular surface geometries, including View the MathML source[112¯] zinc blende (ZB), [101¯0] wurtzite (WZ), [112¯0] WZ, [110][110] ZB, [010][010] ZB, and View the MathML source[1101110] ZB. In contrast, films grown on substrates with hexagonal surface geometries, corresponding to the [0001][0001] WZ and [111][111] ZB growth directions, showed structures with a large number of defects including; anti-sites, vacancies, stacking faults, twinning, andmore » polytypism. WZ and ZB transitions and grain boundaries are identified using a lattice identification algorithm and represented graphically in a structural map. A dislocation analysis was performed to detect, identify, and quantify linear defects within the atomistic data. Systematic simulations using different temperatures, deposition rates, and substrate polarities were perform to analyze the trends of dislocation densities on [0001][0001] WZ direction and showed persistent polytypism. As a result, the polytypism observed in the films grown on the substrates with hexagonal surface geometry is attributed to the similar formation energies of the WZ and ZB phases.« less

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

NASA Astrophysics Data System (ADS)

Yamakawa, K.; Shimomura, Y.

1999-01-01

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

Effect of different stages of deformation on the microstructure evolution of Ti-rich NiTi shape memory alloy

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

Tadayyon, Ghazal, E-mail: Ghazal.tadayyon@gmail.co

The main objective of this work was to investigate the thermomechanical behavior and microstructural changes of a Ti-rich NiTi shape memory alloy (SMA). The microstructural and texture evolution of aged NiTi alloy at different degrees of deformation were elicited by transmission electron microscopy (TEM). An effort was made to correlate results obtained from the tensile test with results from microstructure studies. The undeformed sample reveals a self-accommodated morphology with straight and well defined twin boundaries. At different stages of deformation, diverse mechanisms were involved. These mechanisms include marstraining, detwinning accompanied by dislocation movement, and finally, severe plastic deformation, subdivision andmore » amorphization of the matrix. Under increasing strains, high density lattice defects were generated and the morphology of B19’ became disordered. - Graphical abstract: The summary of microstructure changes of the martensite twins during tensile deformation in polycrystalline NiTi SMAs. - Highlights: • Initial elastic response, dislocation avalanche and deformation bands were studied. • < 011 > Type II twin accompanied by detwinned area after 2% cold work was observed. • Visible parallel fine stacking faults showed plastic flow of the material. • At higher strains, subgrains changed to recrystallized, finely amorphous structure.« less

Effect of growth pressure on the morphology evolution and doping characteristics in nonpolar a-plane GaN

NASA Astrophysics Data System (ADS)

Song, Keun Man; Kim, Jong Min; Kang, Bong Kyun; Shin, Chan Soo; Ko, Chul Gi; Kong, Bo Hyun; Cho, Hyung Koun; Yoon, Dae Ho; Kim, Hogyoung; Hwang, Sung Min

2012-02-01

Nonpolar a-plane GaN layers grown on r-plane sapphire substrates were examined by using a two-step growth process. The higher initial growth pressure for the nucleation layer resulted in the improved crystalline quality with lower density of both threading dislocations and basal stacking faults. This was attributed to the higher degree of initial roughening and recovery time via a growth mode transition from three-dimensional (3D) to quasi two-dimensional (2D) lateral growth. Using Hall-effect measurements, the overgrown Si doped GaN layers grown with higher initial growth pressure were found to have higher mobility. The scattering mechanism due to the dislocations was dominant especially at low temperature (<200 K) for the lower initial growth pressure, which was insignificant for the higher initial growth pressure. The temperature-dependent Hall-effect measurements for the Mg doped GaN with a higher initial growth pressure yielded the activation energy and the acceptor concentration to be 128 meV and 1.2 × 1019 cm-3, respectively, corresponding to about 3.6% of activation at room temperature. Two-step growth scheme with a higher initial growth pressure is suggested as a potential method to improve the performance of nonpolar a-plane GaN based devices.

Effect of vacancy defects on generalized stacking fault energy of fcc metals.

PubMed

Asadi, Ebrahim; Zaeem, Mohsen Asle; Moitra, Amitava; Tschopp, Mark A

2014-03-19

Molecular dynamics (MD) and density functional theory (DFT) studies were performed to investigate the influence of vacancy defects on generalized stacking fault (GSF) energy of fcc metals. MEAM and EAM potentials were used for MD simulations, and DFT calculations were performed to test the accuracy of different common parameter sets for MEAM and EAM potentials in predicting GSF with different fractions of vacancy defects. Vacancy defects were placed at the stacking fault plane or at nearby atomic layers. The effect of vacancy defects at the stacking fault plane and the plane directly underneath of it was dominant compared to the effect of vacancies at other adjacent planes. The effects of vacancy fraction, the distance between vacancies, and lateral relaxation of atoms on the GSF curves with vacancy defects were investigated. A very similar variation of normalized SFEs with respect to vacancy fractions were observed for Ni and Cu. MEAM potentials qualitatively captured the effect of vacancies on GSF.

Strain-Driven Stacking Faults in CdSe/CdS Core/Shell Nanorods.

PubMed

Demortière, Arnaud; Leonard, Donovan N; Petkov, Valeri; Chapman, Karena; Chattopadhyay, Soma; She, Chunxing; Cullen, David A; Shibata, Tomohiro; Pelton, Matthew; Shevchenko, Elena V

2018-04-19

Colloidal semiconductor nanocrystals are commonly grown with a shell of a second semiconductor material to obtain desired physical properties, such as increased photoluminescence quantum yield. However, the growth of a lattice-mismatched shell results in strain within the nanocrystal, and this strain has the potential to produce crystalline defects. Here, we study CdSe/CdS core/shell nanorods as a model system to investigate the influence of core size and shape on the formation of stacking faults in the nanocrystal. Using a combination of high-angle annular dark-field scanning transmission electron microscopy and pair-distribution-function analysis of synchrotron X-ray scattering, we show that growth of the CdS shell on smaller, spherical CdSe cores results in relatively small strain and few stacking faults. By contrast, growth of the shell on larger, prolate spheroidal cores leads to significant strain in the CdS lattice, resulting in a high density of stacking faults.

In situ atomic scale mechanical microscopy discovering the atomistic mechanisms of plasticity in nano-single crystals and grain rotation in polycrystalline metals.

PubMed

Han, Xiaodong; Wang, Lihua; Yue, Yonghai; Zhang, Ze

2015-04-01

In this review, we briefly introduce our in situ atomic-scale mechanical experimental technique (ASMET) for transmission electron microscopy (TEM), which can observe the atomic-scale deformation dynamics of materials. This in situ mechanical testing technique allows the deformation of TEM samples through a simultaneous double-tilt function, making atomic-scale mechanical microscopy feasible. This methodology is generally applicable to thin films, nanowires (NWs), tubes and regular TEM samples to allow investigation of the dynamics of mechanically stressed samples at the atomic scale. We show several examples of this technique applied to Pt and Cu single/polycrystalline specimens. The in situ atomic-scale observation revealed that when the feature size of these materials approaches the nano-scale, they often exhibit "unusual" deformation behaviours compared to their bulk counterparts. For example, in Cu single-crystalline NWs, the elastic-plastic transition is size-dependent. An ultra-large elastic strain of 7.2%, which approaches the theoretical elasticity limit, can be achieved as the diameter of the NWs decreases to ∼6 nm. The crossover plasticity transition from full dislocations to partial dislocations and twins was also discovered as the diameter of the single-crystalline Cu NWs decreased. For Pt nanocrystals (NC), the long-standing uncertainties of atomic-scale plastic deformation mechanisms in NC materials (grain size G less than 15 nm) were clarified. For larger grains with G<∼10 nm, we frequently observed movements and interactions of cross-grain full dislocations. For G between 6 and 10 nm, stacking faults resulting from partial dislocations become more frequent. For G<∼6 nm, the plasticity mechanism transforms from a mode of cross-grain dislocation to a collective grain rotation mechanism. This grain rotation process is mediated by grain boundary (GB) dislocations with the assistance of GB diffusion and shuffling. These in situ atomic-scale images provide a direct demonstration that grain rotation, through the evolution of the misorientation angle between neighbouring grains, can be quantitatively assessed by the dislocation content within the grain boundaries. In combination with the revolutionary Cs-corrected sub-angstrom imaging technologies developed by Urban et al., the opportunities for experimental mechanics at the atomic scale are emerging. Copyright © 2014 The Authors. Published by Elsevier B.V. All rights reserved.

Floating stacking faults on the (111) surface of FCC metals: a finite-temperature first-principles study

NASA Astrophysics Data System (ADS)

Rechtsman, Mikael; de Gironcoli, Stefano; Ceder, Gerbrand; Marzari, Nicola

2003-03-01

The (111) surfaces of FCC metals can develop anomalous thermal expansion properties at high temperatures (e.g. for the case of Ag(111)), and display floating stacking faults during homoepitaxial growth in the presence of surfactants. Inspired by the results of high-temperature ensemble-DFT molecular dynamics simulations, we investigate here the relative stability of FCC and HCP stacking in simple and transition metals (Al, Ag, Zn), searching for a structural phase transition taking place at the surface layer in the high-temperature regime. We use a combination of total-energy structural relaxations and linear-response perturbation theory to determine the surface phonon dispersions, and then the relative free energies in the quasi-harmonic approximation. Our results in Al show that the vibrational entropy strongly favors HCP stacking, substantially offsetting the energetic cost of the stacking fault that becomes favored close to the melting temperature. Besides its fundamental interest, HCP phonon softening is relevant in determining the relative stability of small islands during homoeptiaxial growth.

Determination of the gaseous hydrogen ductile-brittle transition in copper-nickel alloys

NASA Technical Reports Server (NTRS)

Parr, R. A.; Johnston, M. H.; Davis, J. H.; Oh, T. K.

1985-01-01

A series of copper-nickel alloys were fabricated, notched tensile specimens machined for each alloy, and the specimens tested in 34.5 MPa hydrogen and in air. A notched tensile ratio was determined for each alloy and the hydrogen environment embrittlement (HEE) determined for the alloys of 47.7 weight percent nickel to 73.5 weight percent nickel. Stacking fault probability and stacking fault energies were determined for each alloy using the x ray diffraction line shift and line profiles technique. Hydrogen environment embrittlement was determined to be influenced by stacking fault energies; however, the correlation is believed to be indirect and only partially responsible for the HEE behavior of these alloys.

Evidence for and implications of self-healing pulses of slip in earthquake rupture

USGS Publications Warehouse

Heaton, T.H.

1990-01-01

Dislocation time histories of models derived from waveforms of seven earthquakes are discussed. In each model, dislocation rise times (the duration of slip for a given point on the fault) are found to be short compared to the overall duration of the earthquake (??? 10%). However, in many crack-like numerical models of dynamic rupture, the slip duration at a given point is comparable to the overall duration of the rupture; i.e. slip at a given point continues until information is received that the rupture has stopped propagating. Alternative explanations for the discrepancy between the short slip durations used to model waveforms and the long slip durations inferred from dynamic crack models are: (1) the dislocation models are unable to resolve the relatively slow parts of earthquake slip and have seriously underestimated the dislocations for these earthquakes; (2) earthquakes are composed of a sequence of small-dimension (short duration) events that are separated by locked regions (barriers); (3) rupture occurs in a narrow self-healing pulse of slip that travels along the fault surface. Evidence is discussed that suggests that slip durations are indeed short and that the self-healing slip-pulse model is the most appropriate explanation. A qualitative model is presented that produces self-healing slip pulses. The key feature of the model is the assumption that friction on the fault surface is inversely related to the local slip velocity. The model has the following features: high static strength of materials (kilobar range), low static stress drops (in the range of tens of bars), and relatively low frictional stress during slip (less than several hundreds of bars). It is suggested that the reason that the average dislocation scales with fault length is because large-amplitude slip pulses are difficult to stop and hence tend to propagate large distances. This model may explain why seismicity and ambient stress are low along fault segments that have experienced large earthquakes. It also qualitatively explains why the recurrence time for large earthquakes may be irregular. ?? 1990.

Model-based diagnosis through Structural Analysis and Causal Computation for automotive Polymer Electrolyte Membrane Fuel Cell systems

NASA Astrophysics Data System (ADS)

Polverino, Pierpaolo; Frisk, Erik; Jung, Daniel; Krysander, Mattias; Pianese, Cesare

2017-07-01

The present paper proposes an advanced approach for Polymer Electrolyte Membrane Fuel Cell (PEMFC) systems fault detection and isolation through a model-based diagnostic algorithm. The considered algorithm is developed upon a lumped parameter model simulating a whole PEMFC system oriented towards automotive applications. This model is inspired by other models available in the literature, with further attention to stack thermal dynamics and water management. The developed model is analysed by means of Structural Analysis, to identify the correlations among involved physical variables, defined equations and a set of faults which may occur in the system (related to both auxiliary components malfunctions and stack degradation phenomena). Residual generators are designed by means of Causal Computation analysis and the maximum theoretical fault isolability, achievable with a minimal number of installed sensors, is investigated. The achieved results proved the capability of the algorithm to theoretically detect and isolate almost all faults with the only use of stack voltage and temperature sensors, with significant advantages from an industrial point of view. The effective fault isolability is proved through fault simulations at a specific fault magnitude with an advanced residual evaluation technique, to consider quantitative residual deviations from normal conditions and achieve univocal fault isolation.

Segregation and Phase Transformations Along Superlattice Intrinsic Stacking Faults in Ni-Based Superalloys

NASA Astrophysics Data System (ADS)

Smith, T. M.; Esser, B. D.; Good, B.; Hooshmand, M. S.; Viswanathan, G. B.; Rae, C. M. F.; Ghazisaeidi, M.; McComb, D. W.; Mills, M. J.

2018-06-01

In this study, local chemical and structural changes along superlattice intrinsic stacking faults combine to represent an atomic-scale phase transformation. In order to elicit stacking fault shear, creep tests of two different single crystal Ni-based superalloys, ME501 and CMSX-4, were performed near 750 °C using stresses of 552 and 750 MPa, respectively. Through high-resolution scanning transmission electron microscopy (STEM) and state-of-the-art energy dispersive X-ray spectroscopy, ordered compositional changes were measured along SISFs in both alloys. For both instances, the elemental segregation and local crystal structure present along the SISFs are consistent with a nanoscale γ' to D019 phase transformation. Other notable observations are prominent γ-rich Cottrell atmospheres and new evidence of more complex reordering processes responsible for the formation of these faults. These findings are further supported using density functional theory calculations and high-angle annular dark-field (HAADF)-STEM image simulations.

Mechanism of underthrusting in southwest Japan: A model of convergent plate interactions

NASA Technical Reports Server (NTRS)

Fitch, T. J.; Scholz, C. H.

1971-01-01

An elastic rebound mechanism consistent with underthrusting at the time of the magnitude 8.2 Nankaido earthquake of 21 December, 1946 accounts for a reversal in sense between seismic and preseismic changes in elevation throughout a large portion of southwest Japan. It is shown that the seismic movements during the earthquake were generated by slip on a complex thrust fault that is inferred to intersect the surface near the base of the continental slope. The preseismic deformation is explained by strain accumulation equivalent to a virtual dislocation with the same orientation as the fault surface but a sense opposite to that of the real dislocation that occurred at the time of the earthquake. Adjustments by slip along the fault surface and extensions of that surface can account for postseismic movements.

In-situ observation of stacking fault evolution in vacuum-deposited C60

NASA Astrophysics Data System (ADS)

Hardigree, J. F. M.; Ramirez, I. R.; Mazzotta, G.; Nicklin, C.; Riede, M.

2017-12-01

We report an in-situ study of stacking fault evolution in C60 thin films using grazing-incidence x-ray scattering. A Williamson-Hall analysis of the main scattering features during growth of a 15 nm film on glass indicates lattice strain as high as 6% in the first 5 nm of the film, with a decrease to 2% beyond 8 nm thickness. Deformation stacking faults along the {220} plane are found to occur with 68% probability and closely linked to the formation of a nanocrystalline powder-like film. Our findings, which capture monolayer-resolution growth, are consistent with previous work on crystalline and powder C60 films, and provide a crystallographic context for the real-time study of organic semiconductor thin films.

Self-organization of dislocation-free, high-density, vertically aligned GaN nanocolumns involving InGaN quantum wells on graphene/SiO2 covered with a thin AlN buffer layer.

PubMed

Hayashi, Hiroaki; Konno, Yuta; Kishino, Katsumi

2016-02-05

We demonstrated the self-organization of high-density GaN nanocolumns on multilayer graphene (MLG)/SiO2 covered with a thin AlN buffer layer by RF-plasma-assisted molecular beam epitaxy. MLG/SiO2 substrates were prepared by the transfer of CVD graphene onto thermally oxidized SiO2/Si [100] substrates. Employing the MLG with an AlN buffer layer enabled the self-organization of high-density and vertically aligned nanocolumns. Transmission electron microscopy observation revealed that no threading dislocations, stacking faults, or twinning defects were included in the self-organized nanocolumns. The photoluminescence (PL) peak intensities of the self-organized GaN nanocolumns were 2.0-2.6 times higher than those of a GaN substrate grown by hydride vapor phase epitaxy. Moreover, no yellow luminescence or ZB-phase GaN emission was observed from the nanocolumns. An InGaN/GaN MQW and p-type GaN were integrated into GaN nanocolumns grown on MLG, displaying a single-peak PL emission at a wavelength of 533 nm. Thus, high-density nitride p-i-n nanocolumns were fabricated on SiO2/Si using the transferred MLG interlayer, indicating the possibility of developing visible nanocolumn LEDs on graphene/SiO2.

Quantifying the stress fields due to a delta-hydride precipitate in alpha-Zr matrix

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

Tummala, Hareesh; Capolungo, Laurent; Tome, Carlos N.

This report is a preliminary study on δ-hydride precipitate in zirconium alloy performed using 3D discrete dislocation dynamics simulations. The ability of dislocations in modifying the largely anisotropic stress fields developed by the hydride particle in a matrix phase is addressed for a specific dimension of the hydride. The influential role of probable dislocation nucleation at the hydride-matrix interface is reported. Dislocation nucleation around a hydride was found to decrease the shear stress (S 13) and also increase the normal stresses inside the hydride. We derive conclusions on the formation of stacks of hydrides in zirconium alloys. The contribution ofmore » mechanical fields due to dislocations was found to have a non-negligible effect on such process.« less

Coseismic and postseismic slip distribution of the 2003 Mw = 6.5 Chengkung earthquake in eastern Taiwan: Elastic modeling from inversion of GPS data

NASA Astrophysics Data System (ADS)

Cheng, Li-Wei; Lee, Jian-Cheng; Hu, Jyr-Ching; Chen, Horng-Yue

2009-03-01

The Chengkung earthquake with ML = 6.6 occurred in eastern Taiwan at 12:38 local time on December 10th 2003. Based on the main shock relocation and aftershock distribution, the Chengkung earthquake occurred along the previously recognized N20°E trending Chihshang fault. This event did not cause human loss, but significant cracks developed at the ground surface and damaged some buildings. After 1951 Taitung earthquake, there was no larger ML > 6 earthquake occurred in this region until the Chengkung earthquake. As a result, the Chengkung earthquake is a good opportunity to study the seismogenic structure of the Chihshang fault. The coseismic displacements recorded by GPS show a fan-shaped distribution with maximal displacement of about 30 cm near the epicenter. The aftershocks of the Chengkung earthquake revealing an apparent linear distribution helps us to construct the clear fault geometry of the Chihshang fault. In this study, we employ a half-space angular elastic dislocation model with GPS observations to figure out the slip distribution and seismological behavior of the Chengkung earthquake on the Chihshang fault. The elastic half-space dislocation model reveals that the Chengkung earthquake is a thrust event with minor left-lateral strike-slip component. The maximum coseismic slip is located around the depth of 20 km and up to 1.1 m. The slips are gradually decreased to less than 10 cm near the surface part of the Chihshang fault. The seismogenic fault plane, which is constructed by the delineation of the aftershocks, demonstrates that the Chihshang fault is a high-angle fault. However the fault plane changes to a flat plane at depth of 20 km. In addition, a significant part of the measured deformation across the surface fault zone for this earthquake can be attributed to postseismic creep. The postseismic elastic dislocation model shows that most afterslips are distributed to the upper level of the Chihshang fault. And most afterslips consist of both of dip- and left-lateral slip. The model results show that the Chihshang fault may be partially locked or damped near surface during coseismic slip. After the mainshock, the strain, which cumulated near the surface, was released by postseismic creep resulting in significant postseismic deformation.

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

NASA Astrophysics Data System (ADS)

Ulmer, Christopher J.; Motta, Arthur T.

2018-01-01

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

Generalized-stacking-fault energy and twin-boundary energy of hexagonal close-packed Au: A first-principles calculation.

PubMed

Wang, Cheng; Wang, Huiyuan; Huang, Tianlong; Xue, Xuena; Qiu, Feng; Jiang, Qichuan

2015-05-22

Although solid Au is usually most stable as a face-centered cubic (fcc) structure, pure hexagonal close-packed (hcp) Au has been successfully fabricated recently. However, the phase stability and mechanical property of this new material are unclear, which may restrict its further applications. Here we present the evidence that hcp → fcc phase transformation can proceed easily in Au by first-principles calculations. The extremely low generalized-stacking-fault (GSF) energy in the basal slip system implies a great tendency to form basal stacking faults, which opens the door to phase transformation from hcp to fcc. Moreover, the Au lattice extends slightly within the superficial layers due to the self-assembly of alkanethiolate species on hcp Au (0001) surface, which may also contribute to the hcp → fcc phase transformation. Compared with hcp Mg, the GSF energies for non-basal slip systems and the twin-boundary (TB) energies for and twins are larger in hcp Au, which indicates the more difficulty in generating non-basal stacking faults and twins. The findings provide new insights for understanding the nature of the hcp → fcc phase transformation and guide the experiments of fabricating and developing materials with new structures.

Grain wall boundaries in centimeter-scale continuous monolayer WS2 film grown by chemical vapor deposition.

PubMed

Jia, Zhiyan; Hu, Wentao; Xiang, Jianyong; Wen, Fusheng; Nie, Anmin; Mu, Congpu; Zhao, Zhisheng; Xu, Bo; Tian, Yongjun; Liu, Zhongyuan

2018-06-22

Centimeter-scale continuous monolayer WS 2 film with large tensile strain has been successfully grown on oxidized silicon substrate by chemical vapor deposition, in which monolayer grains can be more than 200 μm in size. Monolayer WS 2 grains are observed to merge together via not only traditional grain boundaries but also non-traditional ones, which are named as grain walls (GWs) due to their nanometer-scale widths. The GWs are revealed to consist of two or three layers. Though not a monolayer, the GWs exhibit significantly enhanced fluorescence and photoluminescence. This enhancement may be attributed to abundant structural defects such as stacking faults and partial dislocations in the GWs, which are clearly observable in atomically resolved high resolution transmission electron microscopy and scanning transmission electron microscopy images. Moreover, GW-based phototransistor is found to deliver higher photocurrent than that based on monolayer film. These features of GWs provide a clue to microstructure engineering of monolayer WS 2 for specific applications in (opto)electronics.

Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks

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

Ascherl, Laura; Sick, Torben; Margraf, Johannes

Covalent organic frameworks (COFs) formed by connecting multidentate organic building blocks through covalent bonds provide a platform for designing multifunctional porous materials with atomic precision. As they are promising materials for applications in optoelectronics, they would benefit from a maximum degree of long-range order within the framework, which has remained a major challenge. We have developed a synthetic concept to allow consecutive COF sheets to lock in position during crystal growth, and thus minimize the occurrence of stacking faults and dislocations. Hereby, the three-dimensional conformation of propeller-shaped molecular building units was used to generate well-defined periodic docking sites, which guidedmore » the attachment of successive building blocks that, in turn, promoted long-range order during COF formation. This approach enables us to achieve a very high crystallinity for a series of COFs that comprise tri- and tetradentate central building blocks. We expect this strategy to be transferable to a broad range of customized COFs.« less

Homogeneous AlGaN/GaN superlattices grown on free-standing (1100) GaN substrates by plasma-assisted molecular beam epitaxy

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

Shao, Jiayi; Malis, Oana; Physics Department, Purdue University, West Lafayette, Indiana 47907

Two-dimensional and homogeneous growth of m-plane AlGaN by plasma-assisted molecular beam epitaxy has been realized on free-standing (1100) GaN substrates by implementing high metal-to-nitrogen (III/N) flux ratio. AlN island nucleation, often reported for m-plane AlGaN under nitrogen-rich growth conditions, is suppressed at high III/N flux ratio, highlighting the important role of growth kinetics for adatom incorporation. The homogeneity and microstructure of m-plane AlGaN/GaN superlattices are assessed via a combination of scanning transmission electron microscopy and high resolution transmission electron microscopy (TEM). The predominant defects identified in dark field TEM characterization are short basal plane stacking faults (SFs) bounded by eithermore » Frank-Shockley or Frank partial dislocations. In particular, the linear density of SFs is approximately 5 × 10{sup −5} cm{sup −1}, and the length of SFs is less than 15 nm.« less

Growth of Defect-Free 3C-SiC on 4H- and 6H-SiC Mesas Using Step-Free Surface Heteroepitaxy

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Powell, J. Anthony; Trunek, Andrew J.; Huang, Xianrong R.; Dudley, Michael

2001-01-01

A new growth process, herein named step-free surface heteroepitaxy, has achieved 3CSiC films completely free of double positioning boundaries and stacking faults on 4H-SiC and 6H-SiC substrate mesas. The process is based upon the initial 2-dimensional nucleation and lateral expansion of a single island of 3C-SiC on a 4H- or 6H-SiC mesa surface that is completely free of bilayer surface steps. Our experimental results indicate that substrate-epilayer in-plane lattice mismatch (delta a/a = 0.0854% for 3C/4H) is at least partially relieved parallel to the interface in the initial bilayers of the heterofilm, producing an at least partially relaxed 3C-SiC film without dislocations that undesirably thread through the thickness of the epilayer. This result should enable realization of improved 3C-SiC devices.

Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks

NASA Astrophysics Data System (ADS)

Ascherl, Laura; Sick, Torben; Margraf, Johannes T.; Lapidus, Saul H.; Calik, Mona; Hettstedt, Christina; Karaghiosoff, Konstantin; Döblinger, Markus; Clark, Timothy; Chapman, Karena W.; Auras, Florian; Bein, Thomas

2016-04-01

Covalent organic frameworks (COFs) formed by connecting multidentate organic building blocks through covalent bonds provide a platform for designing multifunctional porous materials with atomic precision. As they are promising materials for applications in optoelectronics, they would benefit from a maximum degree of long-range order within the framework, which has remained a major challenge. We have developed a synthetic concept to allow consecutive COF sheets to lock in position during crystal growth, and thus minimize the occurrence of stacking faults and dislocations. Hereby, the three-dimensional conformation of propeller-shaped molecular building units was used to generate well-defined periodic docking sites, which guided the attachment of successive building blocks that, in turn, promoted long-range order during COF formation. This approach enables us to achieve a very high crystallinity for a series of COFs that comprise tri- and tetradentate central building blocks. We expect this strategy to be transferable to a broad range of customized COFs.

Large-scale atomistic simulations of helium-3 bubble growth in complex palladium alloys

DOE PAGES

Hale, Lucas M.; Zimmerman, Jonathan A.; Wong, Bryan M.

2016-05-18

Palladium is an attractive material for hydrogen and hydrogen-isotope storage applications due to its properties of large storage density and high diffusion of lattice hydrogen. When considering tritium storage, the material’s structural and mechanical integrity is threatened by both the embrittlement effect of hydrogen and the creation and evolution of additional crystal defects (e.g., dislocations, stacking faults) caused by the formation and growth of helium-3 bubbles. Using recently developed inter-atomic potentials for the palladium-silver-hydrogen system, we perform large-scale atomistic simulations to examine the defect-mediated mechanisms that govern helium bubble growth. Our simulations show the evolution of a distribution of materialmore » defects, and we compare the material behavior displayed with expectations from experiment and theory. In conclusion, we also present density functional theory calculations to characterize ideal tensile and shear strengths for these materials, which enable the understanding of how and why our developed potentials either meet or confound these expectations.« less

First-principles study of crystallographic slip modes in ω-Zr.

PubMed

Kumar, Anil; Kumar, M Arul; Beyerlein, Irene J

2017-08-21

We use first-principles density functional theory to study the preferred modes of slip in the high-pressure ω phase of Zr. The generalized stacking fault energy surfaces associated with shearing on nine distinct crystallographic slip modes in the hexagonal ω-Zr crystal are calculated, from which characteristics such as ideal shear stress, the dislocation Burgers vector, and possible accompanying atomic shuffles, are extracted. Comparison of energy barriers and ideal shear stresses suggests that the favorable modes are prismatic 〈c〉, prismatic-II [Formula: see text] and pyramidal-II 〈c + a〉, which are distinct from the ground state hexagonal close packed α phase of Zr. Operation of these three modes can accommodate any deformation state. The relative preferences among the identified slip modes are examined using a mean-field crystal plasticity model and comparing the calculated deformation texture with the measurement. Knowledge of the basic crystallographic modes of slip is critical to understanding and analyzing the plastic deformation behavior of ω-Zr or mixed α-ω phase-Zr.

Highly luminescent, high-indium-content InGaN film with uniform composition and full misfit-strain relaxation

NASA Astrophysics Data System (ADS)

Fischer, A. M.; Wei, Y. O.; Ponce, F. A.; Moseley, M.; Gunning, B.; Doolittle, W. A.

2013-09-01

We have studied the properties of thick InxGa1-xN films, with indium content ranging from x ˜ 0.22 to 0.67, grown by metal-modulated epitaxy. While the low indium-content films exhibit high density of stacking faults and dislocations, a significant improvement in the crystalline quality and optical properties has been observed starting at x ˜ 0.6. Surprisingly, the InxGa1-xN film with x ˜ 0.67 exhibits high luminescence intensity, low defect density, and uniform full lattice-mismatch strain relaxation. The efficient strain relaxation is shown to be due to a critical thickness close to the monolayer range. These films were grown at low temperatures (˜400 °C) to facilitate indium incorporation and with precursor modulation to enhance surface morphology and metal adlayer diffusion. These findings should contribute to the development of growth techniques for nitride semiconductors under high lattice misfit conditions.

Deformation Behavior and Microstructure of Ti6Al4V Manufactured by SLM

NASA Astrophysics Data System (ADS)

Krakhmalev, P.; Fredriksson, G.; Yadroitsava, I.; Kazantseva, N.; Plessis, A. du; Yadroitsev, I.

Mechanical properties, porosity, and microstructure of Ti6Al4V (ELI) material produced by Selective Laser Melting (SLM) under controlled oxygen content were analyzed. Fully martensitic α'structure with high dislocation density and stacking faults was observed in both as-built and stress relieved samples by means of XRD and TEM. Tensile {101 ̅2} twinning was identified by TEM and electron diffraction. Accommodation of thermal stresses during manufacturing was suggested as a possible reason for twinning. Computed tomography of pores was carried out. Pores in the specimens were evenly distributed and mostly had an elongated shape. Defect analysis by micro CT scans in pre-strained samples confirmed that the pore coalescence was the main crack formation mechanism in the final fracture with typical cup-and-cone fracture morphology. Additionally, typical dimples and quasi-cleavage were revealed. Mechanical properties of the samples after stress relieving heat treatment at 650°C for 3 h are complied with the international standard for Ti alloys for biomedical applications.

Grain wall boundaries in centimeter-scale continuous monolayer WS2 film grown by chemical vapor deposition

NASA Astrophysics Data System (ADS)

Jia, Zhiyan; Hu, Wentao; Xiang, Jianyong; Wen, Fusheng; Nie, Anmin; Mu, Congpu; Zhao, Zhisheng; Xu, Bo; Tian, Yongjun; Liu, Zhongyuan

2018-06-01

Centimeter-scale continuous monolayer WS2 film with large tensile strain has been successfully grown on oxidized silicon substrate by chemical vapor deposition, in which monolayer grains can be more than 200 μm in size. Monolayer WS2 grains are observed to merge together via not only traditional grain boundaries but also non-traditional ones, which are named as grain walls (GWs) due to their nanometer-scale widths. The GWs are revealed to consist of two or three layers. Though not a monolayer, the GWs exhibit significantly enhanced fluorescence and photoluminescence. This enhancement may be attributed to abundant structural defects such as stacking faults and partial dislocations in the GWs, which are clearly observable in atomically resolved high resolution transmission electron microscopy and scanning transmission electron microscopy images. Moreover, GW-based phototransistor is found to deliver higher photocurrent than that based on monolayer film. These features of GWs provide a clue to microstructure engineering of monolayer WS2 for specific applications in (opto)electronics.

Inverse scattering pre-stack depth imaging and it's comparison to some depth migration methods for imaging rich fault complex structure

NASA Astrophysics Data System (ADS)

Nurhandoko, Bagus Endar B.; Sukmana, Indriani; Mubarok, Syahrul; Deny, Agus; Widowati, Sri; Kurniadi, Rizal

2012-06-01

Migration is important issue for seismic imaging in complex structure. In this decade, depth imaging becomes important tools for producing accurate image in depth imaging instead of time domain imaging. The challenge of depth migration method, however, is in revealing the complex structure of subsurface. There are many methods of depth migration with their advantages and weaknesses. In this paper, we show our propose method of pre-stack depth migration based on time domain inverse scattering wave equation. Hopefully this method can be as solution for imaging complex structure in Indonesia, especially in rich thrusting fault zones. In this research, we develop a recent advance wave equation migration based on time domain inverse scattering wave which use more natural wave propagation using scattering wave. This wave equation pre-stack depth migration use time domain inverse scattering wave equation based on Helmholtz equation. To provide true amplitude recovery, an inverse of divergence procedure and recovering transmission loss are considered of pre-stack migration. Benchmarking the propose inverse scattering pre-stack depth migration with the other migration methods are also presented, i.e.: wave equation pre-stack depth migration, waveequation depth migration, and pre-stack time migration method. This inverse scattering pre-stack depth migration could image successfully the rich fault zone which consist extremely dip and resulting superior quality of seismic image. The image quality of inverse scattering migration is much better than the others migration methods.

Tight-binding study of stacking fault energies and the Rice criterion of ductility in the fcc metals

NASA Astrophysics Data System (ADS)

Mehl, Michael J.; Papaconstantopoulos, Dimitrios A.; Kioussis, Nicholas; Herbranson, M.

2000-02-01

We have used the Naval Research Laboratory (NRL) tight-binding (TB) method to calculate the generalized stacking fault energy and the Rice ductility criterion in the fcc metals Al, Cu, Rh, Pd, Ag, Ir, Pt, Au, and Pb. The method works well for all classes of metals, i.e., simple metals, noble metals, and transition metals. We compared our results with full potential linear-muffin-tin orbital and embedded atom method (EAM) calculations, as well as experiment, and found good agreement. This is impressive, since the NRL-TB approach only fits to first-principles full-potential linearized augmented plane-wave equations of state and band structures for cubic systems. Comparable accuracy with EAM potentials can be achieved only by fitting to the stacking fault energy.

Inversion for slip distribution using teleseismic P waveforms: North Palm Springs, Borah Peak, and Michoacan earthquakes

USGS Publications Warehouse

Mendoza, C.; Hartzell, S.H.

1988-01-01

We have inverted the teleseismic P waveforms recorded by stations of the Global Digital Seismograph Network for the 8 July 1986 North Palm Springs, California, the 28 October 1983 Borah Peak, Idaho, and the 19 September 1985 Michoacan, Mexico, earthquakes to recover the distribution of slip on each of the faults using a point-by-point inversion method with smoothing and positivity constraints. Results of the inversion indicate that the Global digital Seismograph Network data are useful for deriving fault dislocation models for moderate to large events. However, a wide range of frequencies is necessary to infer the distribution of slip on the earthquake fault. Although the long-period waveforms define the size (dimensions and seismic moment) of the earthquake, data at shorter period provide additional constraints on the variation of slip on the fault. Dislocation models obtained for all three earthquakes are consistent with a heterogeneous rupture process where failure is controlled largely by the size and location of high-strength asperity regions. -from Authors

Shockwave-Induced Plasticity Via Large-Scale Nonequilibrium Molecular Dynamics

NASA Astrophysics Data System (ADS)

Holian, Brad Lee

1997-07-01

In nonequilibrium molecular-dynamics (MD) simulations of shock waves in single crystals, carried out in 1979 at Los Alamos,(B.L. Holian and G.K. Straub, Phys. Rev. Lett. 43), 1598 (1979). we discovered that, above a threshold strength, strongly shocked crystals deform in a very simple way. Rather than experiencing massive deformation, a simple slippage occurs at the shock front, relieving the peak shear stress, and leaving behind a stacking fault. We realized, of course, that real materials could yield at much lower thresholds, and speculated then that pre-existing defects could nucleate plastic flow at lower shock strengths than those characteristic of pure single crystals. (Historical note: at about the same time as our earliest dynamical shockwave simulations, Mogilevsky, working independently in the Soviet Union, carried out relaxation MD calculations under uniaxial strain, and observed spontaneous production of dislocations.(M.A. Mogilevsky, in Shock Waves and High Strain Rate Phenomena in Metals) (Plenum, New York, 1981), p.531.) Further Los Alamos calculations, carried out nearly a decade later in five-times larger systems (up to 10,000 atoms), confirmed this observation and quantified the threshold strength, namely the yield strength of the perfect crystal.(B.L. Holian, Phys. Rev. A 37), 2562 (1988); for a review, see B.L. Holian, Shock Waves 5, 149 (1995). Subsequently, Zaretskii and co-workers,(E.B. Zaretskii, G.I. Kanel, P.A. Mogilevskii, and V.E. Fortov, Sov. Phys. Dokl. 36), 76 (1991). using x-ray diffraction of shocked single crystals, confirmed our MD observations of stacking faults produced by shockwave passage. With the advent of massively parallel computers, we have recently studied systems with over six-times larger cross-sectional area and four-times longer distance of run to the steady state (approximately 270,000 atoms). We have seen that the increased cross-section allows the system to slip along both available forward slip systems, in different places along the now non-planar shock front, though only one stacking fault survives. This leads us to attempt simulations with even larger cross-sectional areas, and with pre-existing defects embedded in the sample, such as those we will report on here (36-times larger cross-sectional area: 10 million atoms). We report on shock waves in fcc copper, where the atoms interact via an EAM (embedded-atom-method) many-body potential, as well as pair-potential materials.(B.L. Holian, P.S. Lomdahl, S.J. Zhou, D.M. Beazley, and A.F. Voter, (1997, unpublished).)

Revealing microstructure and dislocation behavior in BAlN/AlGaN heterostructures

NASA Astrophysics Data System (ADS)

Sun, Haiding; Wu, Feng; Park, Young Jae; tahtamouni, T. M. Al; Liao, Che-Hao; Guo, Wenzhe; Alfaraj, Nasir; Li, Kuang-Hui; Anjum, Dalaver H.; Detchprohm, Theeradetch; Dupuis, Russell D.; Li, Xiaohang

2018-01-01

We reveal the microstructure and dislocation behavior in 20-pair B0.14Al0.86N/Al0.70Ga0.30N multiple-stack heterostructures (MSHs) exhibiting an increasing dislocation density along the c-axis, which is attributed to the continuous generation of dislocations (edge and mixed-type) within the individual B0.14Al0.86N layers. At the MSH interfaces, the threading dislocations were accompanied by a string of V-shape pits extending to the surface, leading to interface roughening and the formation of surface columnar features. Strain maps indicated an approximately 1.5% tensile strain and 1% compressive strain in the B0.14Al0.86N and Al0.70Ga0.30N layers, respectively. Twin structures were observed, and the MSH eventually changed from monocrystalline to polycrystalline.

Growth of non-polar and semi-polar gallium nitride with plasma assisted molecular beam epitaxy: Relatonships between film microstructure, reciprocal lattice and transport properties

NASA Astrophysics Data System (ADS)

McLaurin, Melvin Barker

2007-12-01

The group-III nitrides exhibit significant spontaneous and piezoelectric polarization parallel to the [0001] direction, which are manifested as sheet charges at heterointerfaces. While polarization can be used to engineer the band-structure of a device, internal electric fields generated by polarization discontinuities can also have a number of negative consequences for the performance and design of structures utilizing heterojunctions. The most direct route to polarization free group-III nitride devices is growth on either one of the "non-polar" prismatic faces of the crystal (m-plane (1010) or a-plane (1120)) where the [0001] direction lies in the plane of any heterointerfaces. This dissertation focuses on the growth of non-polar and semi-polar GaN by MBE and on how the dominant feature of the defect structure of non-polar and semi-polar films, basal plane stacking faults, determines the properties of the reciprocal lattice and electrical transport of the films. The first part is a survey of the MBE growth of the two non-polar planes (10 10) and (1120) and three semi-polar planes (1011), (1013) and {11 22} investigated in this work. The relationship between basal plane stacking faults and broadening of the reciprocal lattice is discussed and measured with X-ray diffraction using a lateral-variant of the Williamson-Hall analysis. The electrical properties of m-plane films are investigated using Hall-effect and TLM measurements. Anisotropic mobilities were observed for both electrons and holes along with record p-type conductivities and hole concentrations. By comparison to both inversion-domain free c-plane films and stacking-fault-free free-standing m-plane GaN wafers it was determined that basal plane stacking faults were the source of both the enhanced p-type conductivity and the anisotropic carrier mobilities. Finally, we propose a possible source of anisotropic mobilities and enhanced p-type conduction in faulted films is proposed. Basal plane stacking faults are treated as heterostructures of the wurtzite and zincblende polytypes of GaN. The band parameter and polarization differences between the polytypes result in large offsets in both the conduction and valence band edges at the stacking faults. Anisotropy results from scattering from the band-edge offsets and enhanced mobility from screening due to charge accumulation at these band edge offsets.

Stacking fault induced tunnel barrier in platelet graphite nanofiber

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

Lan, Yann-Wen, E-mail: chiidong@phys.sinica.edu.tw, E-mail: ywlan@phys.sinica.edu.tw; Chang, Yuan-Chih; Chang, Chia-Seng

A correlation study using image inspection and electrical characterization of platelet graphite nanofiber devices is conducted. Close transmission electron microscopy and diffraction pattern inspection reveal layers with inflection angles appearing in otherwise perfectly stacked graphene platelets, separating nanofibers into two domains. Electrical measurement gives a stability diagram consisting of alternating small-large Coulomb blockade diamonds, suggesting that there are two charging islands coupled together through a tunnel junction. Based on these two findings, we propose that a stacking fault can behave as a tunnel barrier for conducting electrons and is responsible for the observed double-island single electron transistor characteristics.

Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys

NASA Astrophysics Data System (ADS)

Wang, Xin-Xin; Niu, Liang-Liang; Wang, Shaoqing

2018-04-01

Systematic energetics analysis on the shape preference, relative stability and radiation-induced segregation of interstitial loops in nickel-containing single-phase concentrated solid-solution alloys have been conducted using atomistic simulations. It is shown that the perfect loops prefer rhombus shape for its low potential energy, while the Frank faulted loops favor ellipse for its low potential energy and the possible large configurational entropy. The decrease of stacking fault energy with increasing compositional complexity provides the energetic driving force for the formation of faulted loops, which, in conjunction with the kinetic factors, explains the experimental observation that the fraction of faulted loops rises with increasing compositional complexity. Notably, the kinetics is primarily responsible for the absence of faulted loops in nickel-cobalt with a very low stacking fault energy. We further demonstrate that the simultaneous nickel enrichment and iron/chromium depletion on interstitial loops can be fully accounted for by their energetics.

Effect of Na presence during CuInSe{sub 2} growth on stacking fault annihilation and electronic properties

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

Stange, H., E-mail: helena.stange@helmholtz-berlin.de; Brunken, S.; Hempel, H.

While presence of Na is essential for the performance of high-efficiency Cu(In,Ga)Se{sub 2} thin film solar cells, the reasons why addition of Na by post-deposition treatment is superior to pre-deposition Na supply—particularly at low growth temperatures—are not yet fully understood. Here, we show by X-ray diffraction and electron microscopy that Na impedes annihilation of stacking faults during the Cu-poor/Cu-rich transition of low temperature 3-stage co-evaporation and prevents Cu homogeneity on a microscopic level. Lower charge carrier mobilities are found by optical pump terahertz probe spectroscopy for samples with remaining high stacking fault density, indicating a detrimental effect on electronic propertiesmore » if Na is present during growth.« less

Generalized-stacking-fault energy and twin-boundary energy of hexagonal close-packed Au: A first-principles calculation

PubMed Central

Wang, Cheng; Wang, Huiyuan; Huang, Tianlong; Xue, Xuena; Qiu, Feng; Jiang, Qichuan

2015-01-01

Although solid Au is usually most stable as a face-centered cubic (fcc) structure, pure hexagonal close-packed (hcp) Au has been successfully fabricated recently. However, the phase stability and mechanical property of this new material are unclear, which may restrict its further applications. Here we present the evidence that hcp → fcc phase transformation can proceed easily in Au by first-principles calculations. The extremely low generalized-stacking-fault (GSF) energy in the basal slip system implies a great tendency to form basal stacking faults, which opens the door to phase transformation from hcp to fcc. Moreover, the Au lattice extends slightly within the superficial layers due to the self-assembly of alkanethiolate species on hcp Au (0001) surface, which may also contribute to the hcp → fcc phase transformation. Compared with hcp Mg, the GSF energies for non-basal slip systems and the twin-boundary (TB) energies for and twins are larger in hcp Au, which indicates the more difficulty in generating non-basal stacking faults and twins. The findings provide new insights for understanding the nature of the hcp → fcc phase transformation and guide the experiments of fabricating and developing materials with new structures. PMID:25998415

Influence of preliminary ultrasonic treatment upon the steady-state creep of metals of different stacking fault energies.

PubMed

Rusinko, A

2014-01-01

This paper addresses the issue of the ultrasound effects upon the creep deformation of metals with different levels of stacking fault energy. The influence of preliminary ultrasound irradiation time upon the steady state creep rate is considered. Synthetic theory of irrecoverable deformation is taken as a mathematical apparatus. The analytical results show good agreement with experimental data. Copyright © 2013 Elsevier B.V. All rights reserved.

Electronically decoupled stacking fault tetrahedra embedded in Au(111) films

PubMed Central

Schouteden, Koen; Amin-Ahmadi, Behnam; Li, Zhe; Muzychenko, Dmitry; Schryvers, Dominique; Van Haesendonck, Chris

2016-01-01

Stacking faults are known as defective structures in crystalline materials that typically lower the structural quality of the material. Here, we show that a particular type of defect, that is, stacking fault tetrahedra (SFTs), exhibits pronounced quantized electronic behaviour, revealing a potential synthetic route to decoupled nanoparticles in metal films. We report on the electronic properties of SFTs that exist in Au(111) films, as evidenced by scanning tunnelling microscopy and confirmed by transmission electron microscopy. We find that the SFTs reveal a remarkable decoupling from their metal surroundings, leading to pronounced energy level quantization effects within the SFTs. The electronic behaviour of the SFTs can be described well by the particle-in-a-box model. Our findings demonstrate that controlled preparation of SFTs may offer an alternative way to achieve well-decoupled nanoparticles of high crystalline quality in metal thin films without the need of thin insulating layers. PMID:28008910

Electronically decoupled stacking fault tetrahedra embedded in Au(111) films.

PubMed

Schouteden, Koen; Amin-Ahmadi, Behnam; Li, Zhe; Muzychenko, Dmitry; Schryvers, Dominique; Van Haesendonck, Chris

2016-12-23

Stacking faults are known as defective structures in crystalline materials that typically lower the structural quality of the material. Here, we show that a particular type of defect, that is, stacking fault tetrahedra (SFTs), exhibits pronounced quantized electronic behaviour, revealing a potential synthetic route to decoupled nanoparticles in metal films. We report on the electronic properties of SFTs that exist in Au(111) films, as evidenced by scanning tunnelling microscopy and confirmed by transmission electron microscopy. We find that the SFTs reveal a remarkable decoupling from their metal surroundings, leading to pronounced energy level quantization effects within the SFTs. The electronic behaviour of the SFTs can be described well by the particle-in-a-box model. Our findings demonstrate that controlled preparation of SFTs may offer an alternative way to achieve well-decoupled nanoparticles of high crystalline quality in metal thin films without the need of thin insulating layers.

Triangular defects in the low-temperature halo-carbon homoepitaxial growth of 4H-SiC

NASA Astrophysics Data System (ADS)

Das, Hrishikesh; Melnychuk, Galyna; Koshka, Yaroslav

2010-06-01

Generation of triangular defects (TDs) is a significant obstacle in the way of increasing the growth rate of the low-temperature halo-carbon homoepitaxial growth of 4H-SiC conducted at 1300 °C. In this work, the structure of the TDs and the factors influencing TD generation were investigated. It has been found that TD concentration at 1300 °C is primarily influenced by the growth rate. Higher concentrations of the TDs were typically observed at the upstream regions of the sample. With the help of KOH defect delineation technique it was established that the locations of the TDs did not coincide with any of the substrate defects. Nucleation of small polycrystalline Si islands is the main origin for the TDs nucleation during the low-temperature growth, especially at moderate-to-low values of the C/Si ratio, which have been previously shown to be favorable for avoiding generation of 3C inclusions and morphology degradation. At typical low-temperature growth conditions, small polycrystalline Si islands can form on SiC surface (predominantly at the upstream portion of the growth zone). Those islands serve as nucleation centers for TDs and subsequently get evaporated. TDs are bound by two or often multiple partial dislocations, which results in one or multiple stacking faults, respectively. When arrays of partial dislocations were present at each edge of a TD, 3C polytype inclusions were often revealed by the oxidation technique and micro-Raman spectroscopy.

Defect-free high Sn-content GeSn on insulator grown by rapid melting growth.

PubMed

Liu, Zhi; Cong, Hui; Yang, Fan; Li, Chuanbo; Zheng, Jun; Xue, Chunlai; Zuo, Yuhua; Cheng, Buwen; Wang, Qiming

2016-12-12

GeSn is an attractive semiconductor material for Si-based photonics. However, large lattice mismatch between GeSn and Si and the low solubility of Sn in Ge limit its development. In order to obtain high Sn-content GeSn on Si, it is normally grown at low temperature, which would lead to inevitable dislocations. Here, we reported a single-crystal defect-free graded GeSn on insulator (GSOI) stripes laterally grown by rapid melting growth (RMG). The Sn-content reaches to 14.2% at the end of the GSOI stripe. Transmission electron microscopy observation shows the GSOI stripe without stacking fault and dislocations. P-channel pseudo metal-oxide-semiconductor field effect transistors (MOSFETs) and metal-semiconductor-metal (MSM) Schottky junction photodetectors were fabricated on these GSOIs. Good transistor performance with a low field peak hole mobility of 402 cm 2 /Vs is obtained, which indicates a high-quality of this GSOI structure. Strong near-infrared and short-wave infrared optical absorption of the MSM photodetectors at 1550 nm and 2000 nm were observed. Owing to high Sn-content and defect-free, responsivity of 236 mA/W@-1.5 V is achieved at 1550 nm wavelength. In addition, responsivity reaches 154 mA/W@-1.5 V at 2000 nm with the optical absorption layer only 200 nm-thick, which is the highest value reported for GeSn junction photodetectors until now.

Defect-free high Sn-content GeSn on insulator grown by rapid melting growth

PubMed Central

Liu, Zhi; Cong, Hui; Yang, Fan; Li, Chuanbo; Zheng, Jun; Xue, Chunlai; Zuo, Yuhua; Cheng, Buwen; Wang, Qiming

2016-01-01

GeSn is an attractive semiconductor material for Si-based photonics. However, large lattice mismatch between GeSn and Si and the low solubility of Sn in Ge limit its development. In order to obtain high Sn-content GeSn on Si, it is normally grown at low temperature, which would lead to inevitable dislocations. Here, we reported a single-crystal defect-free graded GeSn on insulator (GSOI) stripes laterally grown by rapid melting growth (RMG). The Sn-content reaches to 14.2% at the end of the GSOI stripe. Transmission electron microscopy observation shows the GSOI stripe without stacking fault and dislocations. P-channel pseudo metal-oxide-semiconductor field effect transistors (MOSFETs) and metal-semiconductor-metal (MSM) Schottky junction photodetectors were fabricated on these GSOIs. Good transistor performance with a low field peak hole mobility of 402 cm2/Vs is obtained, which indicates a high-quality of this GSOI structure. Strong near-infrared and short-wave infrared optical absorption of the MSM photodetectors at 1550 nm and 2000 nm were observed. Owing to high Sn-content and defect-free, responsivity of 236 mA/W@-1.5 V is achieved at 1550 nm wavelength. In addition, responsivity reaches 154 mA/W@-1.5 V at 2000 nm with the optical absorption layer only 200 nm-thick, which is the highest value reported for GeSn junction photodetectors until now. PMID:27941825

Defect-free high Sn-content GeSn on insulator grown by rapid melting growth

NASA Astrophysics Data System (ADS)

Liu, Zhi; Cong, Hui; Yang, Fan; Li, Chuanbo; Zheng, Jun; Xue, Chunlai; Zuo, Yuhua; Cheng, Buwen; Wang, Qiming

2016-12-01

GeSn is an attractive semiconductor material for Si-based photonics. However, large lattice mismatch between GeSn and Si and the low solubility of Sn in Ge limit its development. In order to obtain high Sn-content GeSn on Si, it is normally grown at low temperature, which would lead to inevitable dislocations. Here, we reported a single-crystal defect-free graded GeSn on insulator (GSOI) stripes laterally grown by rapid melting growth (RMG). The Sn-content reaches to 14.2% at the end of the GSOI stripe. Transmission electron microscopy observation shows the GSOI stripe without stacking fault and dislocations. P-channel pseudo metal-oxide-semiconductor field effect transistors (MOSFETs) and metal-semiconductor-metal (MSM) Schottky junction photodetectors were fabricated on these GSOIs. Good transistor performance with a low field peak hole mobility of 402 cm2/Vs is obtained, which indicates a high-quality of this GSOI structure. Strong near-infrared and short-wave infrared optical absorption of the MSM photodetectors at 1550 nm and 2000 nm were observed. Owing to high Sn-content and defect-free, responsivity of 236 mA/W@-1.5 V is achieved at 1550 nm wavelength. In addition, responsivity reaches 154 mA/W@-1.5 V at 2000 nm with the optical absorption layer only 200 nm-thick, which is the highest value reported for GeSn junction photodetectors until now.

Microstructure and Mechanical Properties Evolution of the Al, C-Containing CoCrFeNiMn-Type High-Entropy Alloy during Cold Rolling.

PubMed

Klimova, Margarita; Stepanov, Nikita; Shaysultanov, Dmitry; Chernichenko, Ruslan; Yurchenko, Nikita; Sanin, Vladimir; Zherebtsov, Sergey

2017-12-29

The effect of cold rolling on the microstructure and mechanical properties of an Al- and C-containing CoCrFeNiMn-type high-entropy alloy was reported. The alloy with a chemical composition (at %) of (20-23) Co, Cr, Fe, and Ni; 8.82 Mn; 3.37 Al; and 0.69 C was produced by self-propagating high-temperature synthesis with subsequent induction. In the initial as-cast condition the alloy had an face centered cubic single-phase coarse-grained structure. Microstructure evolution was mostly associated with either planar dislocation glide at relatively low deformation during rolling (up to 20%) or deformation twinning and shear banding at higher strain. After 80% reduction, a heavily deformed twinned/subgrained structure was observed. A comparison with the equiatomic CoCrFeNiMn alloy revealed higher dislocation density at all stages of cold rolling and later onset of deformation twinning that was attributed to a stacking fault energy increase in the program alloy; this assumption was confirmed by calculations. In the initial as-cast condition the alloy had low yield strength of 210 MPa with yet very high uniform elongation of 74%. After 80% rolling, yield strength approached 1310 MPa while uniform elongation decreased to 1.3%. Substructure strengthening was found to be dominated at low rolling reductions (<40%), while grain (twin) boundary strengthening prevailed at higher strains.

Ion Beam Assisted Deposition of Thin Epitaxial GaN Films.

PubMed

Rauschenbach, Bernd; Lotnyk, Andriy; Neumann, Lena; Poppitz, David; Gerlach, Jürgen W

2017-06-23

The assistance of thin film deposition with low-energy ion bombardment influences their final properties significantly. Especially, the application of so-called hyperthermal ions (energy <100 eV) is capable to modify the characteristics of the growing film without generating a large number of irradiation induced defects. The nitrogen ion beam assisted molecular beam epitaxy (ion energy <25 eV) is used to deposit GaN thin films on (0001)-oriented 6H-SiC substrates at 700 °C. The films are studied in situ by reflection high energy electron diffraction, ex situ by X-ray diffraction, scanning tunnelling microscopy, and high-resolution transmission electron microscopy. It is demonstrated that the film growth mode can be controlled by varying the ion to atom ratio, where 2D films are characterized by a smooth topography, a high crystalline quality, low biaxial stress, and low defect density. Typical structural defects in the GaN thin films were identified as basal plane stacking faults, low-angle grain boundaries forming between w-GaN and z-GaN and twin boundaries. The misfit strain between the GaN thin films and substrates is relieved by the generation of edge dislocations in the first and second monolayers of GaN thin films and of misfit interfacial dislocations. It can be demonstrated that the low-energy nitrogen ion assisted molecular beam epitaxy is a technique to produce thin GaN films of high crystalline quality.

Laser-shock damage of iron-based materials

NASA Astrophysics Data System (ADS)

Chu, Jinn P.; Banas, Grzegorz; Lawrence, Frederick V.; Rigsbee, James M.; Elsayed-Ali, Hani E.

1993-05-01

The effects of laser shock processing on the microstructure and mechanical properties of the manganese (1 percent C and 14 percent Mn) steels have been low carbon (0.04 wt. percent C) and Hadfield studied. Laser shock processing was performed with a 1.054 micrometers wavelength Nd-phosphate laser operating in a pulse mode (600 ps pulse length and up to 200 J energy) with power densities above 10 to the 11th power W/cm2. Shock waves were generated by volume expansion of the plasma formed when the material was laser irradiated. Maximum shock wave intensities were obtained using an energy-absorbing black paint coating without a plasma-confining overlay. Maximum modification of compressive residual stresses were achieved when laser shock processing induced deformation occurred without melting. Mechanical properties were improved through modifying the microstructure by laser shock processing. High density arrays of dislocations (greater than 10 to the 11th power/cm2) were generated in low carbon steel by high strain-rate deformation of laser shock processing, resulting in surface hardness increases of 30 to 80 percent. In austenitic Hadfield steel, laser shock processing caused extensive formation of Epsilon-hcp martensite (35 vol. percent), producing increases of 50 to 130 percent in surface hardness. The laser shock processing strengthening effect in Hadfield steel was attributed to the combined effects of the partial dislocation/stacking fault arrays and the grain refinement due to presence of the Epsilon-hcp martensite.

Structurally Altered Hard Coal in the Areas of Tectonic Disturbances - An Initial Attempt at Classification

NASA Astrophysics Data System (ADS)

Godyń, Katarzyna

2016-09-01

As regards the exploitation of hard coal seams, the near-fault zones and faults themselves are considered to be particularly dangerous areas, which is due to a high probability of the occurrence of gasogeodynamic phenomena. Tectonic dislocations running across a seam have a destructive impact on coal. Degradation of the coal structure, particularly visible in the microscale, is reflected in the coal's strength or gas properties. Such "structurally altered" coal is characterized by the presence of numerous fracturings, crushed areas, or dislocations of some of its fragments, and sometimes even the total destruction of the original structure. The present paper provides a detailed analysis and description of near-fault coal obtained from selected seams of the Upper Silesian Coal Basin, completed due to the application of optical methods. Both the type and the degree of changes in the structure of such coal were identified. On this basis, the author attempted to systematize the nomenclature used in relation to selected Upper Silesian hard coal seams, which, in turn, resulted in a proposed classification of the "altered structures" of the near-fault coal.

The Earth isn't flat: The (large) influence of topography on geodetic fault slip imaging.

NASA Astrophysics Data System (ADS)

Thompson, T. B.; Meade, B. J.

2017-12-01

While earthquakes both occur near and generate steep topography, most geodetic slip inversions assume that the Earth's surface is flat. We have developed a new boundary element tool, Tectosaur, with the capability to study fault and earthquake problems including complex fault system geometries, topography, material property contrasts, and millions of elements. Using Tectosaur, we study the model error induced by neglecting topography in both idealized synthetic fault models and for the cases of the MW=7.3 Landers and MW=8.0 Wenchuan earthquakes. Near the steepest topography, we find the use of flat Earth dislocation models may induce errors of more than 100% in the inferred slip magnitude and rake. In particular, neglecting topographic effects leads to an inferred shallow slip deficit. Thus, we propose that the shallow slip deficit observed in several earthquakes may be an artefact resulting from the systematic use of elastic dislocation models assuming a flat Earth. Finally, using this study as an example, we emphasize the dangerous potential for forward model errors to be amplified by an order of magnitude in inverse problems.

Structural instabilities and wrinkles at the grain boundaries in 2-D h-BN: a first-principles analysis.

PubMed

Singh, Anjali; Waghmare, Umesh V

2014-10-21

The structure of grain boundaries (GBs) or interfaces between nano-forms of carbon determines their evolution into 3-D forms with nano-scale architecture. Here, we present a general framework for the construction of interfaces in 2-D h-BN and graphene in terms of (a) stacking faults and (b) growth faults, using first-principles density functional theoretical analysis. Such interfaces or GBs involve deviation from their ideal hexagonal lattice structure. We show that a stacking fault involves a linkage of rhombal and octagonal rings (4 : 8), and a growth fault involves a linkage of paired pentagonal and octagonal rings (5 : 5 : 8). While a growth fault is energetically more stable than a stacking fault in graphene, the polarity of B and N leads to the reversal of their relative stability in h-BN. We show that the planar structure of these interfacing grains exhibits instability with respect to buckling (out-of-plane deformation), which results in the formation of a wrinkle at the grain boundary (GB) and rippling of the structure. Our analysis leads to prediction of new types of low-energy GBs of 2-D h-BN and graphene. Our results for electronic and vibrational signatures of these interfaces and an STM image of the most stable interface will facilitate their experimental characterization, particularly of the wrinkles forming spontaneously at these interfaces.

Atomistic simulations of deformation mechanisms in ultralight weight Mg-Li alloys

NASA Astrophysics Data System (ADS)

Karewar, Shivraj

Mg alloys have spurred a renewed academic and industrial interest because of their ultra-light-weight and high specific strength properties. Hexagonal close packed Mg has low deformability and a high plastic anisotropy between basal and non-basal slip systems at room temperature. Alloying with Li and other elements is believed to counter this deficiency by activating non-basal slip by reducing their nucleation stress. In this work I study how Li addition affects deformation mechanisms in Mg using atomistic simulations. In the first part, I create a reliable and transferable concentration dependent embedded atom method (CD-EAM) potential for my molecular dynamics study of deformation. This potential describes the Mg-Li phase diagram, which accurately describes the phase stability as a function of Li concentration and temperature. Also, it reproduces the heat of mixing, lattice parameters, and bulk moduli of the alloy as a function of Li concentration. Most importantly, our CD-EAM potential reproduces the variation of stacking fault energy for basal, prismatic, and pyramidal slip systems that in uences the deformation mechanisms as a function of Li concentration. This success of CD-EAM Mg-Li potential in reproducing different properties, as compared to literature data, shows its reliability and transferability. Next, I use this newly created potential to study the effect of Li addition on deformation mechanisms in Mg-Li nanocrystalline (NC) alloys. Mg-Li NC alloys show basal slip, pyramidal type-I slip, tension twinning, and two-compression twinning deformation modes. Li addition reduces the plastic anisotropy between basal and non-basal slip systems by modifying the energetics of Mg-Li alloys. This causes the solid solution softening. The inverse relationship between strength and ductility therefore suggests a concomitant increase in alloy ductility. A comparison of the NC results with single crystal deformation results helps to understand the qualitative and quantitative effect of Li addition in Mg on nucleation stress and fault energies of each deformation mode. The nucleation stress and fault energies of basal dislocations and compression twins in single crystal Mg-Li alloy increase while those for pyramidal dislocations and tension twinning decrease. This variation in respective values explains the reduction in plastic anisotropy and increase in ductility for Mg-Li alloys.

Teleseismic body waves from dynamically rupturing shallow thrust faults: Are they opaque for surface-reflected phases?

USGS Publications Warehouse

Smith, D.E.; Aagaard, Brad T.; Heaton, T.H.

2005-01-01

We investigate whether a shallow-dipping thrust fault is prone to waveslip interactions via surface-reflected waves affecting the dynamic slip. If so, can these interactions create faults that are opaque to radiated energy? Furthermore, in this case of a shallow-dipping thrust fault, can incorrectly assuming a transparent fault while using dislocation theory lead to underestimates of seismic moment? Slip time histories are generated in three-dimensional dynamic rupture simulations while allowing for varying degrees of wave-slip interaction controlled by fault-friction models. Based on the slip time histories, P and SH seismograms are calculated for stations at teleseismic distances. The overburdening pressure caused by gravity eliminates mode I opening except at the tip of the fault near the surface; hence, mode I opening has no effect on the teleseismic signal. Normalizing by a Haskell-like traditional kinematic rupture, we find teleseismic peak-to-peak displacement amplitudes are approximately 1.0 for both P and SH waves, except for the unrealistic case of zero sliding friction. Zero sliding friction has peak-to-peak amplitudes of 1.6 for P and 2.0 for SH waves; the fault slip oscillates about its equilibrium value, resulting in a large nonzero (0.08 Hz) spectral peak not seen in other ruptures. These results indicate wave-slip interactions associated with surface-reflected phases in real earthquakes should have little to no effect on teleseismic motions. Thus, Haskell-like kinematic dislocation theory (transparent fault conditions) can be safety used to simulate teleseismic waveforms in the Earth.

Simplex GPS and InSAR Inversion Software

NASA Technical Reports Server (NTRS)

Donnellan, Andrea; Parker, Jay W.; Lyzenga, Gregory A.; Pierce, Marlon E.

2012-01-01

Changes in the shape of the Earth's surface can be routinely measured with precisions better than centimeters. Processes below the surface often drive these changes and as a result, investigators require models with inversion methods to characterize the sources. Simplex inverts any combination of GPS (global positioning system), UAVSAR (uninhabited aerial vehicle synthetic aperture radar), and InSAR (interferometric synthetic aperture radar) data simultaneously for elastic response from fault and fluid motions. It can be used to solve for multiple faults and parameters, all of which can be specified or allowed to vary. The software can be used to study long-term tectonic motions and the faults responsible for those motions, or can be used to invert for co-seismic slip from earthquakes. Solutions involving estimation of fault motion and changes in fluid reservoirs such as magma or water are possible. Any arbitrary number of faults or parameters can be considered. Simplex specifically solves for any of location, geometry, fault slip, and expansion/contraction of a single or multiple faults. It inverts GPS and InSAR data for elastic dislocations in a half-space. Slip parameters include strike slip, dip slip, and tensile dislocations. It includes a map interface for both setting up the models and viewing the results. Results, including faults, and observed, computed, and residual displacements, are output in text format, a map interface, and can be exported to KML. The software interfaces with the QuakeTables database allowing a user to select existing fault parameters or data. Simplex can be accessed through the QuakeSim portal graphical user interface or run from a UNIX command line.

Dynamic Strain Aging Phenomena and Tensile Response of Medium-Mn TRIP Steel

NASA Astrophysics Data System (ADS)

Field, Daniel M.; Van Aken, David C.

2018-04-01

Dynamic strain aging (DSA) and rapid work hardening are typical behaviors observed in medium-Mn transformation-induced plasticity (TRIP) steel. Three alloys with manganese ranging from 10.2 to 13.8 wt pct with calculated room temperature stacking fault energies varying from - 2.1 to 0.7 mJ/m2 were investigated. Significant serrations were observed in the stress-strain behavior for two of the steels and the addition of 4.6 wt pct chromium was effective in significantly reducing the occurrence of DSA. Addition of chromium to the alloy reduced DSA by precipitation of M23(C,N)6 during batch annealing at 873 K (600 °C) for 20 hours. Three distinct DSA mechanisms were identified: one related to manganese ordering in stacking faults associated with ɛ-martensite and austenite interface, with activation energies for the onset and termination of DSA being 145 and 277 kJ/mol. A second mechanism was associated with carbon diffusion in γ-austenite where Mn-C bonding added to the total binding energy, and activation energies of 88 and 155 kJ/mol were measured for the onset and termination of DSA. A third mechanism was attributed to dislocation pinning and unpinning by nitrogen in α-ferrite with activation energies of 64 and 123 kJ/mol being identified. Tensile behaviors of the three medium manganese steels were studied in both the hot band and batch annealed after cold working conditions. Ultimate tensile strengths ranged from 1310 to 1404 MPa with total elongation of 24.1 to 34.1 pct. X-ray diffraction (XRD) was used to determine the transformation response of the steels using interrupted tensile tests at room temperature. All three of the processed steels showed evidence of two-stage TRIP where γ-austenite first transformed to ɛ-martensite, and subsequently transformed to α-martensite.

Application of Phase-Weighted Stacking to Low-Frequency Earthquakes near the Alpine Fault, Central Southern Alps, New Zealand

NASA Astrophysics Data System (ADS)

Baratin, L. M.; Townend, J.; Chamberlain, C. J.; Savage, M. K.

2015-12-01

Characterising seismicity in the vicinity of the Alpine Fault, a major transform boundary late in its typical earthquake cycle, may provide constraints on the state of stress preceding a large earthquake. Here, we use recently detected tremor and low-frequency earthquakes (LFEs) to examine how slow tectonic deformation is loading the Alpine Fault toward an anticipated major rupture. We work with a continuous seismic dataset collected between 2009 and 2012 from a network of short-period seismometers, the Southern Alps Microearthquake Borehole Array (SAMBA). Fourteen primary LFE templates have been used to scan the dataset using a matched-filter technique based on an iterative cross-correlation routine. This method allows the detection of similar signals and establishes LFE families with common hypocenter locations. The detections are then combined for each LFE family using phase-weighted stacking (Thurber et al., 2014) to produce a signal with the highest possible signal to noise ratio. We find this method to be successful in increasing the number of LFE detections by roughly 10% in comparison with linear stacking. Our next step is to manually pick polarities on first arrivals of the phase-weighted stacked signals and compute preliminary locations. We are working to estimate LFE focal mechanism parameters and refine the focal mechanism solutions using an amplitude ratio technique applied to the linear stacks. LFE focal mechanisms should provide new insight into the geometry and rheology of the Alpine Fault and the stress field prevailing in the central Southern Alps.

Homoepitaxial and Heteroepitaxial Growth on Step-Free SiC Mesas

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Powell, J. Anthony

2004-01-01

This article describes the initial discovery and development of new approaches to SiC homoepitaxial and heteroepitaxial growth. These approaches are based upon the previously unanticipated ability to effectively supress two-dimensional nucleation of 3C-SiC on large basal plane terraces that form between growth steps when epitaxy is carried out on 4H- and 6H-SiC nearly on-axis substrates. After subdividing the growth surface into mesa regions, pure stepflow homoeptixay with no terrace nucleation was then used to grow all existing surface steps off the edges of screw-dislocation-free mesas, leaving behind perfectly on-axis (0001) basal plane mesa surfaces completely free of atomic-scale steps. Step-free mesa surfaces as large as 0.4 mm x 0.4 mm were experimentally realized, with the yield and size of step-free mesas being initally limited by substrate screw dislocations. Continued epitaxial growth following step-free surface formation leads to the formation of thin lateral cantilevers that extend the step-free surface area from the top edge of the mesa sidewalls. By selecting a proper pre-growth mesa shape and crystallographic orientation, the rate of cantilever growth can be greatly enhanced in a web growth process that has been used to (1) enlarge step-free surface areas and (2) overgrow and laterally relocate micropipes and screw dislocations. A new growth process, named step-free surface heteroepitaxy, has been developed to achieve 3C-SiC films on 4H- and 6H-SiC substrate mesas completely free of double positioning boundary and stacking fault defects. The process is based upon the controlled terrace nucleation and lateral expansion of a single island of 3C-SiC across a step-free mesa surface. Experimental results indicate that substrateepilayer lattice mismatch is at least partially relieved parallel to the interface without dislocations that undesirably thread through the thickness of the epilayer. These results should enable realization of improved SiC homojunction and heterojunction devices. In addition, these experiments offer important insights into the nature of polytypism during SiC crystal growth.

Static stress changes associated with normal faulting earthquakes in South Balkan area

NASA Astrophysics Data System (ADS)

Papadimitriou, E.; Karakostas, V.; Tranos, M.; Ranguelov, B.; Gospodinov, D.

2007-10-01

Activation of major faults in Bulgaria and northern Greece presents significant seismic hazard because of their proximity to populated centers. The long recurrence intervals, of the order of several hundred years as suggested by previous investigations, imply that the twentieth century activation along the southern boundary of the sub-Balkan graben system, is probably associated with stress transfer among neighbouring faults or fault segments. Fault interaction is investigated through elastic stress transfer among strong main shocks ( M ≥ 6.0), and in three cases their foreshocks, which ruptured distinct or adjacent normal fault segments. We compute stress perturbations caused by earthquake dislocations in a homogeneous half-space. The stress change calculations were performed for faults of strike, dip, and rake appropriate to the strong events. We explore the interaction between normal faults in the study area by resolving changes of Coulomb failure function ( ΔCFF) since 1904 and hence the evolution of the stress field in the area during the last 100 years. Coulomb stress changes were calculated assuming that earthquakes can be modeled as static dislocations in an elastic half-space, and taking into account both the coseismic slip in strong earthquakes and the slow tectonic stress buildup associated with major fault segments. We evaluate if these stress changes brought a given strong earthquake closer to, or sent it farther from, failure. Our modeling results show that the generation of each strong event enhanced the Coulomb stress on along-strike neighbors and reduced the stress on parallel normal faults. We extend the stress calculations up to present and provide an assessment for future seismic hazard by identifying possible sites of impending strong earthquakes.

The response of creeping parts of the San Andreas fault to earthquakes on nearby faults: Two examples

USGS Publications Warehouse

Simpson, R.W.; Schulz, S.S.; Dietz, L.D.; Burford, R.O.

1988-01-01

Rates of shallow slip on creeping sections of the San Andreas fault have been perturbed on a number of occasions by earthquakes occurring on nearby faults. One example of such perturbations occurred during the 26 January 1986 magnitude 5.3 Tres Pinos earthquake located about 10 km southeast of Hollister, California. Seven creepmeters on the San Andreas fault showed creep steps either during or soon after the shock. Both left-lateral (LL) and right-lateral (RL) steps were observed. A rectangular dislocation in an elastic half-space was used to model the coseismic fault offset at the hypocenter. For a model based on the preliminary focal mechanism, the predicted changes in static shear stress on the plane of the San Andreas fault agreed in sense (LL or RL) with the observed slip directions at all seven meters; for a model based on a refined focal mechanism, six of the seven meters showed the correct sense of motion. Two possible explanations for such coseismic and postseismic steps are (1) that slip was triggered by the earthquake shaking or (2) that slip occurred in response to the changes in static stress fields accompanying the earthquake. In the Tres Pinos example, the observed steps may have been of both the triggered and responsive kinds. A second example is provided by the 2 May 1983 magnitude 6.7 Coalinga earthquake, which profoundly altered slip rates at five creepmeters on the San Andreas fault for a period of months to years. The XMM1 meter 9 km northwest of Parkfield, California recorded LL creep for more than a year after the event. To simulate the temporal behavior of the XMM1 meter and to view the stress perturbation provided by the Coalinga earthquake in the context of steady-state deformation on the San Andreas fault, a simple time-evolving dislocation model was constructed. The model was driven by a single long vertical dislocation below 15 km in depth, that was forced to slip at 35 mm/yr in a RL sense. A dislocation element placed in the seismogenic layer under XMM1 was given a finite breaking strength of sufficient magnitude to produce a Parkfield-like earthquake every 22 years. When stress changes equivalent to a Coalinga earthquake were superposed on the model running in a steady state mode, the effect was to make a segment under XMM1, that could slip in a linear viscous fashion, creep LL and to delay the onset of the next Parkfield-like earthquake by a year or more. If static stress changes imposed by earthquakes off the San Andreas can indeed advance or delay earthquakes on the San Andreas by months or years, then such changes must be considered in intermediate-term prediction efforts. ?? 1988 Birkha??user Verlag.

Low-Frequency Earthquakes Associated with the Late-Interseismic Central Alpine Fault, Southern Alps, New Zealand

NASA Astrophysics Data System (ADS)

Baratin, L. M.; Chamberlain, C. J.; Townend, J.; Savage, M. K.

2016-12-01

Characterising the seismicity associated with slow deformation in the vicinity of the Alpine Fault may provide constraints on the state of stress of this major transpressive margin prior to a large (≥M8) earthquake. Here, we use recently detected tremor and low-frequency earthquakes (LFEs) to examine how slow tectonic deformation is loading the Alpine Fault toward an anticipated large rupture. We initially work with a continous seismic dataset collected between 2009 and 2012 from an array of short-period seismometers, the Southern Alps Microearthquake Borehole Array. Fourteen primary LFE templates are used in an iterative matched-filter and stacking routine. This method allows the detection of similar signals and establishes LFE families with common locations. We thus generate a 36 month catalogue of 10718 LFEs. The detections are then combined for each LFE family using phase-weighted stacking to yield a signal with the highest possible signal to noise ratio. We found phase-weighted stacking to be successful in increasing the number of LFE detections by roughly 20%. Phase-weighted stacking also provides cleaner phase arrivals of apparently impulsive nature allowing more precise phase and polarity picks. We then compute improved non-linear earthquake locations using a 3D velocity model. We find LFEs to occur below the seismogenic zone at depths of 18-34 km, locating on or near the proposed deep extent of the Alpine Fault. Our next step is to estimate seismic source parameters by implementing a moment tensor inversion technique. Our focus is currently on generating a more extensive catalogue (spanning the years 2009 to 2016) using synthetic waveforms as primary templates, with which to detect LFEs. Initial testing shows that this technique paired up with phase-weighted stacking increases the number of LFE families and overall detected events roughly sevenfold. This catalogue should provide new insight into the geometry of the Alpine Fault and the prevailing stress field in the central Southern Alps.

On the luminescence of freshly introduced a-screw dislocations in low-resistance GaN

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

Medvedev, O. S., E-mail: o.s.medvedev@spbu.ru; Vyvenko, O. F.; Bondarenko, A. S.

2015-09-15

Using scanning electron microscopy in the cathodoluminescence mode, it is shown that straight segments of a-screw dislocations introduced by plastic deformation at room temperature into unintentionally doped low-resistance gallium nitride luminesce in the spectral range 3.1–3.2 eV at 70 K. The spectral composition of dislocation luminescence shows a fine doublet structure with a component width of ∼15 meV and splitting of ∼30 meV, accompanied by LO-phonon replicas. Luminescent screw dislocations move upon exposure to an electron beam and at low temperatures, but retain immobility for a long time without external excitation. Optical transitions involving the quantum-well states of a stackingmore » fault in a split-dislocation core are considered to be the most probable mechanism of the observed phenomenon.« less

Microscale cavitation as a mechanism for nucleating earthquakes at the base of the seismogenic zone.

PubMed

Verberne, Berend A; Chen, Jianye; Niemeijer, André R; de Bresser, Johannes H P; Pennock, Gillian M; Drury, Martyn R; Spiers, Christopher J

2017-11-21

Major earthquakes frequently nucleate near the base of the seismogenic zone, close to the brittle-ductile transition. Fault zone rupture at greater depths is inhibited by ductile flow of rock. However, the microphysical mechanisms responsible for the transition from ductile flow to seismogenic brittle/frictional behaviour at shallower depths remain unclear. Here we show that the flow-to-friction transition in experimentally simulated calcite faults is characterized by a transition from dislocation and diffusion creep to dilatant deformation, involving incompletely accommodated grain boundary sliding. With increasing shear rate or decreasing temperature, dislocation and diffusion creep become too slow to accommodate the imposed shear strain rate, leading to intergranular cavitation, weakening, strain localization, and a switch from stable flow to runaway fault rupture. The observed shear instability, triggered by the onset of microscale cavitation, provides a key mechanism for bringing about the brittle-ductile transition and for nucleating earthquakes at the base of the seismogenic zone.

Effects of strain state on the kinetics of strain-induced martensite in steels

NASA Astrophysics Data System (ADS)

Diani, J. M.; Parks, D. M.

1998-09-01

This paper deals with the quantitative prediction of the volume fraction of strain-induced martensite produced in a steel that undergoes a thermomechanical loading. This issue is relevant for several steels with a low stacking fault energy, where a significant amount of transformed martensite drives many mechanical properties. Practical situations range from the optimization in the rolling process of a sheet to the improvement of the toughness of the final product. The model relies on the assumption that the martensite ( α') is nucleated within a grain at the intersections of shear bands formed by the movement of partial dislocations on certain of the twelve {111} γ<2¯11> γ systems (subscript γ refers to the austenitic, or mother, phase). A modified Taylor-based numerical calculation is performed on a polycrystalline aggregate in order to obtain the intensity of the shear, and hence the volume fraction of martensite in each grain. Results are found to model and predict various experimental results obtained mainly on 304L stainless steel under different strain states.

Dynamics of Nanoscale Grain-Boundary Decohesion in Aluminum by Molecular-Dynamics Simulation

NASA Technical Reports Server (NTRS)

Yamakov, V.; Saether, E.; Phillips, D. R.; Glaessegen, E. H.

2007-01-01

The dynamics and energetics of intergranular crack growth along a flat grain boundary in aluminum is studied by a molecular-dynamics simulation model for crack propagation under steady-state conditions. Using the ability of the molecular-dynamics simulation to identify atoms involved in different atomistic mechanisms, it was possible to identify the energy contribution of different processes taking place during crack growth. The energy contributions were divided as: elastic energy, defined as the potential energy of the atoms in fcc crystallographic state; and plastically stored energy, the energy of stacking faults and twin boundaries; grain-boundary and surface energy. In addition, monitoring the amount of heat exchange with the molecular-dynamics thermostat gives the energy dissipated as heat in the system. The energetic analysis indicates that the majority of energy in a fast growing crack is dissipated as heat. This dissipation increases linearly at low speed, and faster than linear at speeds approaching 1/3 the Rayleigh wave speed when the crack tip becomes dynamically unstable producing periodic dislocation bursts until the crack is blunted.

Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi

DOE PAGES

Zhang, ZiJiao; Mao, M. M.; Wang, Jiangwei; ...

2015-12-09

Damage tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the single-phase CrMnFeCoNi alloy displays tensile strength levels of ~1 GPa, excellent ductility (~60–70%) and exceptional fracture toughness (KJIc>200M Pa√m). Here through the use of in situ straining in an aberration-corrected transmission electron microscope, we report on the salient atomistic to micro-scale mechanisms underlying the origin of these properties. We identify a synergy of multiple deformation mechanisms, rarely achieved in metallic alloys, which generates high strength, work hardening andmore » ductility, including the easy motion of Shockley partials, their interactions to form stacking-fault parallelepipeds, and arrest at planar slip bands of undissociated dislocations. In conclusion, we further show that crack propagation is impeded by twinned, nanoscale bridges that form between the near-tip crack faces and delay fracture by shielding the crack tip.« less

First-principles study of crystallographic slip modes in ω-Zr

DOE PAGES

Kumar, Anil; Kumar, M. Arul; Beyerlein, Irene Jane

2017-08-21

We use first-principles density functional theory to study the preferred modes of slip in the high-pressure ω phase of Zr. The generalized stacking fault energy surfaces associated with shearing on nine distinct crystallographic slip modes in the hexagonal ω-Zr crystal are calculated, from which characteristics such as ideal shear stress, the dislocation Burgers vector, and possible accompanying atomic shuffles, are extracted. Comparison of energy barriers and ideal shear stresses suggests that the favorable modes are prismatic < c >, prismatic-II <101¯0> and pyramidal-II < c+a >, which are distinct from the ground state hexagonal close packed α phase of Zr.more » Operation of these three modes can accommodate any deformation state. The relative preferences among the identified slip modes are examined using a mean-field crystal plasticity model and comparing the calculated deformation texture with the measurement. In conclusion, knowledge of the basic crystallographic modes of slip is critical to understanding and analyzing the plastic deformation behavior of ω-Zr or mixed α-ω phase-Zr.« less

Nanoscale origins of the damage tolerance of the high-entropy alloy CrMnFeCoNi

PubMed Central

Zhang, ZiJiao; Mao, M. M.; Wang, Jiangwei; Gludovatz, Bernd; Zhang, Ze; Mao, Scott X.; George, Easo P.; Yu, Qian; Ritchie, Robert O.

2015-01-01

Damage tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the single-phase CrMnFeCoNi alloy displays tensile strength levels of ∼1 GPa, excellent ductility (∼60–70%) and exceptional fracture toughness (KJIc>200 MPa√m). Here through the use of in situ straining in an aberration-corrected transmission electron microscope, we report on the salient atomistic to micro-scale mechanisms underlying the origin of these properties. We identify a synergy of multiple deformation mechanisms, rarely achieved in metallic alloys, which generates high strength, work hardening and ductility, including the easy motion of Shockley partials, their interactions to form stacking-fault parallelepipeds, and arrest at planar slip bands of undissociated dislocations. We further show that crack propagation is impeded by twinned, nanoscale bridges that form between the near-tip crack faces and delay fracture by shielding the crack tip. PMID:26647978

Metamorphic quantum dots: Quite different nanostructures

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

Seravalli, L.; Frigeri, P.; Nasi, L.

In this work, we present a study of InAs quantum dots deposited on InGaAs metamorphic buffers by molecular beam epitaxy. By comparing morphological, structural, and optical properties of such nanostructures with those of InAs/GaAs quantum dot ones, we were able to evidence characteristics that are typical of metamorphic InAs/InGaAs structures. The more relevant are: the cross-hatched InGaAs surface overgrown by dots, the change in critical coverages for island nucleation and ripening, the nucleation of new defects in the capping layers, and the redshift in the emission energy. The discussion on experimental results allowed us to conclude that metamorphic InAs/InGaAs quantummore » dots are rather different nanostructures, where attention must be put to some issues not present in InAs/GaAs structures, namely, buffer-related defects, surface morphology, different dislocation mobility, and stacking fault energies. On the other hand, we show that metamorphic quantum dot nanostructures can provide new possibilities of tailoring various properties, such as dot positioning and emission energy, that could be very useful for innovative dot-based devices.« less

Oxide nucleation on thin films of copper during in situ oxidation in an electron microscope

NASA Technical Reports Server (NTRS)

Heinemann, K.; Rao, D. B.; Douglass, D. L.

1975-01-01

Single-crystal copper thin films were oxidized at an isothermal temperature of 425 C and at an oxygen partial pressure of 0.005 torr. Specimens were prepared by epitaxial vapor deposition onto polished faces of rocksalt and were mounted in a hot stage inside the ultrahigh-vacuum chamber of a high-resolution electron microscope. An induction period of roughly 30 min was established which was independent of the film thickness but depended strongly on the oxygen partial pressure and to exposure to oxygen prior to oxidation. Neither stacking faults nor dislocations were found to be associated with the Cu2O nucleation sites. The experimental data, including results from oxygen dissolution experiments and from repetitive oxidation-reduction-oxidation sequences, fit well into the framework of an oxidation process involving the formation of a surface charge layer, oxygen saturation of the metal with formation of a supersaturated zone near the surface, and nucleation followed by surface diffusion of oxygen and bulk diffusion of copper for lateral and vertical oxide growth, respectively.

Structural and electrical characterization of epitaxial Ge thin films on Si(001) formed by sputtering

NASA Astrophysics Data System (ADS)

Otsuka, Shintaro; Mori, Takahiro; Morita, Yukinori; Uchida, Noriyuki; Liu, Yongxun; O'uchi, Shin-ichi; Fuketa, Hiroshi; Migita, Shinji; Masahara, Meishoku; Matsukawa, Takashi

2017-04-01

We structurally and electrically characterize sub-10-nm-thick heteroepitaxial Ge films on Si(001), formed by heated sputtering and subsequent rapid thermal annealing (RTA). After RTA treatment at 720 °C, we find the heteroepitaxial Ge films to have smooth surfaces with a roughness root mean square value of 0.54 nm. Raman measurement reveals that the 720 °C RTA improves the crystallinity of Ge films while maintaining abrupt Ge/Si interfaces. Cross-sectional transmission electron microscopy confirms that the 720 °C RTA step effectively reduces stacking faults and dislocations in the Ge films. The Richardson plot of the TaN/Ge/n-Si diode indicates a Schottky barrier height (SBH) of 0.33 V, which is close to the height of 0.37 V measured from the capacitance-voltage measurement. These values are reasonable compared with the reported SBH of the TaN/bulk Ge Schottky barrier diode, indicating that the method involving heated sputtering and subsequent RTA provides adequate thin Ge films for Ge/Si heterostructures.

Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments

DOE PAGES

Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke; ...

2015-08-08

Using molecular dynamics simulations, we elucidate irradiation-induced point defect evolution in fcc pure Ni, Ni 0.5Fe 0.5, and Ni 0.8Cr 0.2 solid solution alloys. We find that irradiation-induced interstitials form dislocation loops that are of 1/3 <111>{111}-type, consistent with our experimental results. While the loops are formed in all the three materials, the kinetics of formation is considerably slower in NiFe and NiCr than in pure Ni, indicating that defect migration barriers and extended defect formation energies could be higher in the alloys than pure Ni. As a result, while larger size clusters are formed in pure Ni, smaller andmore » more clusters are observed in the alloys. The vacancy diffusion occurs at relatively higher temperatures than interstitials, and their clustering leads to formation of stacking fault tetrahedra, also consistent with our experiments. The results also show that the surviving Frenkel pairs are composition-dependent and are largely Ni dominated.« less

Effect of low NH3 flux towards high quality semi-polar (11-22) GaN on m-plane sapphire via MOCVD

NASA Astrophysics Data System (ADS)

Omar, Al-Zuhairi; Shuhaimi Bin Abu Bakar, Ahmad; Makinudin, Abdullah Haaziq Ahmad; Khudus, Muhammad Imran Mustafa Abdul; Azman, Adreen; Kamarundzaman, Anas; Supangat, Azzuliani

2018-05-01

The effect of ammonia flux towards the quality of the semi-polar (11-22) gallium nitride thin film on m-plane (10-10) sapphire is presented. Semi-polar (11-22) gallium nitride epi-layers were obtained using a two-step growth method, consisting of high temperature aluminum nitride followed by gallium nitride via metal organic chemical vapor deposition. The surface morphology analysis via field emission scanning electron microscopy and atomic force microscopy of the semi-polar (11-22) gallium nitride has shown that low ammonia flux promotes two-dimensional growth with low surface roughness of 4.08 nm. A dominant diffraction peak of (11-22) gallium nitride was also observed via X-ray diffraction upon utilizing low ammonia flux. The on- and off-axis X-ray rocking curve measurements illustrate the enhancement of the crystal quality, which might result from the reduction of the basal stacking faults and perfect dislocation. The full width half maximum values were reduced by at least 15% for both on- and off-axis measurements.

Periodic order and defects in Ni-based inverse opal-like crystals on the mesoscopic and atomic scale

NASA Astrophysics Data System (ADS)

Chumakova, A. V.; Valkovskiy, G. A.; Mistonov, A. A.; Dyadkin, V. A.; Grigoryeva, N. A.; Sapoletova, N. A.; Napolskii, K. S.; Eliseev, A. A.; Petukhov, A. V.; Grigoriev, S. V.

2014-10-01

The structure of inverse opal crystals based on nickel was probed on the mesoscopic and atomic levels by a set of complementary techniques such as scanning electron microscopy and synchrotron microradian and wide-angle diffraction. The microradian diffraction revealed the mesoscopic-scale face-centered-cubic (fcc) ordering of spherical voids in the inverse opal-like structure with unit cell dimension of 750±10nm. The diffuse scattering data were used to map defects in the fcc structure as a function of the number of layers in the Ni inverse opal-like structure. The average lateral size of mesoscopic domains is found to be independent of the number of layers. 3D reconstruction of the reciprocal space for the inverse opal crystals with different thickness provided an indirect study of original opal templates in a depth-resolved way. The microstructure and thermal response of the framework of the porous inverse opal crystal was examined using wide-angle powder x-ray diffraction. This artificial porous structure is built from nickel crystallites possessing stacking faults and dislocations peculiar for the nickel thin films.

Efficient reduction of defects in (1120) non-polar and (1122) semi-polar GaN grown on nanorod templates

NASA Astrophysics Data System (ADS)

Bai, J.; Gong, Y.; Xing, K.; Yu, X.; Wang, T.

2013-03-01

(1120) non-polar and (1122) semi-polar GaNs with a low defect density have been achieved by means of an overgrowth on nanorod templates, where a quick coalescence with a thickness even below 1 μm occurs. On-axis and off-axis X-ray rocking curve measurements have shown a massive reduction in the linewidth for our overgrown GaN in comparison with standard GaN films grown on sapphire substrates. Transmission electron microscope observation demonstrates that the overgrowth on the nanorod templates takes advantage of an omni-directional growth around the sidewalls of the nanostructures. The dislocations redirect in basal planes during the overgrowth, leading to their annihilation and termination at voids formed due to a large lateral growth rate. In the non-polar GaN, the priority <0001> lateral growth from vertical sidewalls of nanorods allows basal plane stacking faults (BSFs) to be blocked in the nanorod gaps; while for semi-polar GaN, the propagation of BSFs starts to be impeded when the growth front is changed to be along inclined <0001> direction above the nanorods.

Optical and Structural Properties of Microcrystalline GaN on an Amorphous Substrate Prepared by a Combination of Molecular Beam Epitaxy and Metal-Organic Chemical Vapor Deposition

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

Min, Jung-Wook; Hwang, Hyeong-Yong; Kang, Eun-Kyu

2016-05-01

Microscale platelet-shaped GaN grains were grown on amorphous substrates by a combined epitaxial growth method of molecular beam epitaxy (MBE) and metal-organic chemical vapor deposition (MOCVD). First, MBE GaN was grown on an amorphous substrate as a pre-orienting layer and its structural properties were investigated. Second, MOCVD grown GaN samples using the different growth techniques of planar and selective area growth (SAG) were comparatively investigated by transmission electron microscopy (TEM), cathodoluminescence (CL), and photoluminescence (PL). In MOCVD planar GaN, strong bound exciton peaks dominated despite the high density of the threading dislocations (TDs). In MOCVD SAG GaN, on the othermore » hand, TDs were clearly reduced with bending, but basal stacking fault (BSF) PL peaks were observed at 3.42 eV. The combined epitaxial method not only provides a deep understanding of the growth behavior but also suggests an alternative approach for the growth of GaN on amorphous substances.« less

Experimental study on deformation field evolution in rock sample with en echelon faults using digital speckle correlation method

NASA Astrophysics Data System (ADS)

Ma, S.; Ma, J.; Liu, L.; Liu, P.

2007-12-01

Digital speckle correlation method (DSCM) is one kind of photomechanical deformation measurement method. DSCM could obtain continuous deformation field contactlessly by just capturing speckle images from specimen surface. Therefore, it is suitable to observe high spatial resolution deformation field in tectonophysical experiment. However, in the general DSCM experiment, the inspected surface of specimen needs to be painted to bear speckle grains in order to obtain the high quality speckle image. This also affects the realization of other measurement techniques. In this study, an improved DSCM system is developed and utilized to measure deformation field of rock specimen without surface painting. The granodiorite with high contrast nature grains is chosen to manufacture the specimen, and a specially designed DSCM algorithm is developed to analyze this kind of nature speckle images. Verification and calibration experiments show that the system could inspect a continuous (about 15Hz) high resolution displacement field (with resolution of 5μm) and strain field (with resolution of 50μɛ), dispensing with any preparation on rock specimen. Therefore, it could be conveniently utilized to study the failure of rock structure. Samples with compressive en echelon faults and extensional en echelon faults are studied on a two-direction servo-control test machine. The failure process of the samples is discussed based on the DSCM results. Experiment results show that: 1) The contours of displacement field could clearly indicate the activities of faults and new cracks. The displacement gradient adjacent to active faults and cracks is much greater than other areas. 2) Before failure of the samples, the mean strain of the jog area is largest for the compressive en echelon fault, while that is smallest for the extensional en echelon fault. This consists with the understanding that the jog area of compressive fault subjects to compression and that of extensional fault subjects to tension. 3) For the extensional en echelon sample, the dislocation across fault on load-driving end is greater than that cross fault on fixed end. Within the same fault, the dislocation across branch far from the jog area is greater than that across branch near the jog area. This indicates the restriction effect of jog area on the activity of fault. Moreover, the average dislocation across faults is much greater than that across the cracks. 4) For the compressive en echelon fault, the wing cracks initialized firstly and propagate outwards the jog area. Subsequently, a wedge strain concentration area is initialized and developed in the jog area because of the interaction of the two faults. Finally, the jog area failed when one crack propagates rapidly and connects the two ends of faults. The DSCM system used in this study could clearly show the deformation and failure process of the en echelon fault sample. The experiment using DSCM could be performed dispensing with any preparation on specimen and not affecting other inspection. Therefore, DSCM is expected to be a suitable tool for experimental study of fault samples in laboratory.

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

Sun Dongsheng; Wang Hongcai; Ma Yinsheng

In-situ stress change near the fault before and after a great earthquake is a key issue in the geosciences field. In this work, based on the 2008 Great Wenchuan earthquake fault slip dislocation model, the co-seismic stress tensor change due to the Wenchuan earthquake and the distribution functions around the Longmen Shan fault are given. Our calculated results are almost consistent with the before and after great Wenchuan earthquake in-situ measuring results. The quantitative assessment results provide a reference for the study of the mechanism of earthquakes.

The synchronous improvement of strength and plasticity (SISP) in new Ni-Co based disc superalloys by controling stacking fault energy.

PubMed

Xu, H; Zhang, Z J; Zhang, P; Cui, C Y; Jin, T; Zhang, Z F

2017-08-14

It is a great challenge to improve the strength of disc superalloys without great loss of plasticity together since the microstructures benefiting the strength always do not avail the plasticity. Interestingly, this study shows that the trade-off relationship between strength and plasticity can be broken through decreasing stacking fault energy (SFE) in newly developed Ni-Co based disc superalloys. Axial tensile tests in the temperature range of 25 to 725 °C were carried out in these alloys with Co content ranging from 5% to 23% (wt.%). It is found that the ultimate tensile strength (UTS) and uniform elongation (UE) are improved synchronously when microtwinning is activated by decreasing the SFE at 650 and 725 °C. In contrast, only UTS is improved when stacking fault (SF) dominates the plastic deformation at 25 and 400 °C. These results may be helpful for designing advanced disc superalloys with relatively excellent strength and plasticity simultaneously.

Generalized stacking fault energies of alloys.

PubMed

Li, Wei; Lu, Song; Hu, Qing-Miao; Kwon, Se Kyun; Johansson, Börje; Vitos, Levente

2014-07-02

The generalized stacking fault energy (γ surface) provides fundamental physics for understanding the plastic deformation mechanisms. Using the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation, we calculate the γ surface for the disordered Cu-Al, Cu-Zn, Cu-Ga, Cu-Ni, Pd-Ag and Pd-Au alloys. Studying the effect of segregation of the solute to the stacking fault planes shows that only the local chemical composition affects the γ surface. The calculated alloying trends are discussed using the electronic band structure of the base and distorted alloys.Based on our γ surface results, we demonstrate that the previous revealed 'universal scaling law' between the intrinsic energy barriers (IEBs) is well obeyed in random solid solutions. This greatly simplifies the calculations of the twinning measure parameters or the critical twinning stress. Adopting two twinnability measure parameters derived from the IEBs, we find that in binary Cu alloys, Al, Zn and Ga increase the twinnability, while Ni decreases it. Aluminum and gallium yield similar effects on the twinnability.

Breakdown of Shape Memory Effect in Bent Cu-Al-Ni Nanopillars: When Twin Boundaries Become Stacking Faults.

PubMed

Liu, Lifeng; Ding, Xiangdong; Sun, Jun; Li, Suzhi; Salje, Ekhard K H

2016-01-13

Bent Cu-Al-Ni nanopillars (diameters 90-750 nm) show a shape memory effect, SME, for diameters D > 300 nm. The SME and the associated twinning are located in a small deformed section of the nanopillar. Thick nanopillars (D > 300 nm) transform to austenite under heating, including the deformed region. Thin nanopillars (D < 130 nm) do not twin but generate highly disordered sequences of stacking faults in the deformed region. No SME occurs and heating converts only the undeformed regions into austenite. The defect-rich, deformed region remains in the martensite phase even after prolonged heating in the stability field of austenite. A complex mixture of twins and stacking faults was found for diameters 130 nm < D < 300 nm. The size effect of the SME in Cu-Al-Ni nanopillars consists of an approximately linear reduction of the SME between 300 and 130 nm when the SME completely vanishes for smaller diameters.

The effect of aluminium on mechanical properties and deformation mechanisms of hadfield steel single crystals

NASA Astrophysics Data System (ADS)

Zakharova, E. G.; Kireeva, I. V.; Chumlyakov, Y. I.; Shul'Mina, A. A.; Sehitoglu, H.; Karaman, I.

2004-06-01

On single crystals of Hadfield steel (Fe-13Mn-1.3C, Fe-13Mn-2.7Al-1.3C, wt.%) the systematical investigations of deformation mechanisms - slip and twinning, stages of plastic flow, strain hardening coefficient depending on orientation of tensile axis have been carried out by methods of optical and electron microscopy, x-ray analysis. Is has been shown that the combination of low stacking fault energy (γ{SF}=0.03J/m^2) with high concentration of carbon atoms in aluminium-free steel results in development of the mechanical twinning at room temperature in all crystal orientations. The new type of twinning with formation of extrinsic stacking fault has been found out in [001] single crystals. Experimentally it has been established that alloying with aluminium leads to increase of stacking fault energy of Hadfield steel and suppresses twinning in all orientations of crystals at preservation of high values of strain-hardening coefficients θ.

Direct observation of a stacking fault in Si(1 - x)Ge(x) semiconductors by spherical aberration-corrected TEM and conventional ADF-STEM.

PubMed

Yamasaki, Jun; Kawai, Tomoyuki; Tanaka, Nobuo

2004-01-01

Spherical aberration (C(S))-corrected transmission electron microscopy (TEM) and annular dark-field scanning TEM (ADF-STEM) are applied to high-resolution observation of stacking faults in Si(1 - x)Ge(x) alloy films prepared on a Si(100) buffer layer by the chemical vapor deposition method. Both of the images clarify the individual nature of stacking faults from their directly interpretable image contrast and also by using image simulation in the case of the C(S)-corrected TEM. Positions of the atomic columns obtained in the ADF-STEM images almost agree with a projection of the theoretical model studied by Chou et al. (Phys. Rev. B 32(1985): 7979). Comparison between the C(S)-corrected TEM and ADF-STEM images shows that their resolution is at a similar level, but directly interpretable image contrast is obtained in ultrathin samples for C(S)-corrected TEM and in slightly thicker samples for ADF-STEM.

Fast-moving dislocations trigger flash weakening in carbonate-bearing faults during earthquakes.

PubMed

Spagnuolo, Elena; Plümper, Oliver; Violay, Marie; Cavallo, Andrea; Di Toro, Giulio

2015-11-10

Rupture fronts can cause fault displacement, reaching speeds up to several ms(-1) within a few milliseconds, at any distance away from the earthquake nucleation area. In the case of silicate-bearing rocks the abrupt slip acceleration results in melting at asperity contacts causing a large reduction in fault frictional strength (i.e., flash weakening). Flash weakening is also observed in experiments performed in carbonate-bearing rocks but evidence for melting is lacking. To unravel the micro-physical mechanisms associated with flash weakening in carbonates, experiments were conducted on pre-cut Carrara marble cylinders using a rotary shear apparatus at conditions relevant to earthquakes propagation. In the first 5 mm of slip the shear stress was reduced up to 30% and CO2 was released. Focused ion beam, scanning and transmission electron microscopy investigations of the slipping zones reveal the presence of calcite nanograins and amorphous carbon. We interpret the CO2 release, the formation of nanograins and amorphous carbon to be the result of a shock-like stress release associated with the migration of fast-moving dislocations. Amorphous carbon, given its low friction coefficient, is responsible for flash weakening and promotes the propagation of the seismic rupture in carbonate-bearing fault patches.

Characterization of individual stacking faults in a wurtzite GaAs nanowire by nanobeam X-ray diffraction.

PubMed

Davtyan, Arman; Lehmann, Sebastian; Kriegner, Dominik; Zamani, Reza R; Dick, Kimberly A; Bahrami, Danial; Al-Hassan, Ali; Leake, Steven J; Pietsch, Ullrich; Holý, Václav

2017-09-01

Coherent X-ray diffraction was used to measure the type, quantity and the relative distances between stacking faults along the growth direction of two individual wurtzite GaAs nanowires grown by metalorganic vapour epitaxy. The presented approach is based on the general property of the Patterson function, which is the autocorrelation of the electron density as well as the Fourier transformation of the diffracted intensity distribution of an object. Partial Patterson functions were extracted from the diffracted intensity measured along the [000\\bar{1}] direction in the vicinity of the wurtzite 00\\bar{1}\\bar{5} Bragg peak. The maxima of the Patterson function encode both the distances between the fault planes and the type of the fault planes with the sensitivity of a single atomic bilayer. The positions of the fault planes are deduced from the positions and shapes of the maxima of the Patterson function and they are in excellent agreement with the positions found with transmission electron microscopy of the same nanowire.

Characterization of individual stacking faults in a wurtzite GaAs nanowire by nanobeam X-ray diffraction

PubMed Central

Davtyan, Arman; Lehmann, Sebastian; Zamani, Reza R.; Dick, Kimberly A.; Bahrami, Danial; Al-Hassan, Ali; Leake, Steven J.; Pietsch, Ullrich; Holý, Václav

2017-01-01

Coherent X-ray diffraction was used to measure the type, quantity and the relative distances between stacking faults along the growth direction of two individual wurtzite GaAs nanowires grown by metalorganic vapour epitaxy. The presented approach is based on the general property of the Patterson function, which is the autocorrelation of the electron density as well as the Fourier transformation of the diffracted intensity distribution of an object. Partial Patterson functions were extracted from the diffracted intensity measured along the direction in the vicinity of the wurtzite Bragg peak. The maxima of the Patterson function encode both the distances between the fault planes and the type of the fault planes with the sensitivity of a single atomic bilayer. The positions of the fault planes are deduced from the positions and shapes of the maxima of the Patterson function and they are in excellent agreement with the positions found with transmission electron microscopy of the same nanowire. PMID:28862620

Rapid and Nondestructive Identification of Polytypism and Stacking Sequences in Few-Layer Molybdenum Diselenide by Raman Spectroscopy

DOE PAGES

Lu, Xin; Utama, M. Iqbal Bakti; Lin, Junhao; ...

2015-07-02

Various combinations of interlayer shear modes emerge in few-layer molybdenum diselenide grown by chemical vapor deposition depending on the stacking configuration of the sample. Raman measurements may also reveal polytypism and stacking faults, as supported by first principles calculations and high-resolution transmission electron microscopy. Thus, Raman spectroscopy is an important tool in probing stacking-dependent properties in few-layer 2D materials.

Use of fault striations and dislocation models to infer tectonic shear stress during the 1995 Hyogo-Ken Nanbu (Kobe) earthquake

USGS Publications Warehouse

Spudich, P.; Guatteri, Mariagiovanna; Otsuki, K.; Minagawa, J.

1998-01-01

Dislocation models of the 1995 Hyogo-ken Nanbu (Kobe) earthquake derived by Yoshida et al. (1996) show substantial changes in direction of slip with time at specific points on the Nojima and Rokko fault systems, as do striations we observed on exposures of the Nojima fault surface on Awaji Island. Spudich (1992) showed that the initial stress, that is, the shear traction on the fault before the earthquake origin time, can be derived at points on the fault where the slip rake rotates with time if slip velocity and stress change are known at these points. From Yoshida's slip model, we calculated dynamic stress changes on the ruptured fault surfaces. To estimate errors, we compared the slip velocities and dynamic stress changes of several published models of the earthquake. The differences between these models had an exponential distribution, not gaussian. We developed a Bayesian method to estimate the probability density function (PDF) of initial stress from the striations and from Yoshida's slip model. Striations near Toshima and Hirabayashi give initial stresses of about 13 and 7 MPa, respectively. We obtained initial stresses of about 7 to 17 MPa at depths of 2 to 10 km on a subset of points on the Nojima and Rokko fault systems. Our initial stresses and coseismic stress changes agree well with postearthquake stresses measured by hydrofracturing in deep boreholes near Hirabayashi and Ogura on Awaji Island. Our results indicate that the Nojima fault slipped at very low shear stress, and fractional stress drop was complete near the surface and about 32% below depths of 2 km. Our results at depth depend on the accuracy of the rake rotations in Yoshida's model, which are probably correct on the Nojima fault but debatable on the Rokko fault. Our results imply that curved or cross-cutting fault striations can be formed in a single earthquake, contradicting a common assumption of structural geology.

Geodetic exploration of strain along the El Pilar Fault in northeastern Venezuela

NASA Astrophysics Data System (ADS)

Reinoza, C.; Jouanne, F.; Audemard, F. A.; Schmitz, M.; Beck, C.

2015-03-01

We use Global Navigation Satellite Systems observations in northeastern Venezuela to constrain the El Pilar Fault (EPF) kinematics and to explore the effects of the variable elastic properties of the surrounding medium and of the fault geometry on inferred slip rates and locking depth. The velocity field exhibits an asymmetric velocity gradient on either side of the EPF. We use five different approaches to explore possible models to explain this asymmetry. First, we infer a 1.6 km locking depth using a classic elastic half-space dislocation model. Second, we infer a 1.5 km locking depth and a 0.33 asymmetry coefficient using a heterogeneous asymmetric model, including contrasting material properties on either side of a vertical fault, suggesting that the igneous-metamorphic terranes on the northern side are ~2 times more rigid than the sedimentary southern side. Third, we use a three-dimensional elastostatic model to evaluate the presence of a compliant zone, suggesting a 30% reduction of rigidity in the upper 3 km at the depth of a 1 to 5 km wide fault zone. Fourth, we evaluate the distribution of fault slip, revealing a widespread partial creep pattern in the eastern upper segment, while the upper western segment exhibits a partially locked area, which coincides with the rupture surface of the 1797 and 1929 earthquakes. To supplement these models, we upgrade the previously published displacement simulation method using nonvertical dislocations with data acquired between 2003 and 2013. The localized aseismic displacement pattern associated with creeping or partially creeping fault segments could explain the low level of historic seismicity.

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

NASA Astrophysics Data System (ADS)

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

1990-09-01

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

Deformation of phase D and Earth's deep water cycle

NASA Astrophysics Data System (ADS)

Walker, A.; Skelton, R.; Nowacki, A.

2016-12-01

The stability of dense hydrous magnesium silicates such as phase D in subducting slabs provide a potential path for hydrogen transport from the Earth's surface environment into the lower mantle. Recent analysis of source-side shear wave splitting for rays from deep earthquakes around slabs detected a signal of anisotropy that could be attributed to the deformation of phase D [Nowacki et al. 2015; Geochem. Geophys. Geosyst., 16, 764-784]. If this is the case these observations could provide an estimate of the hydrogen flux into the lower mantle at depths beyond shallow recycling through the volcanic arc. However, the processes leading to the deformation of phase D and the generation of seismic anisotropy are not well known and this is a barrier to progress. Here we present initial results of simulations designed to reveal how easily different dislocations move in phase D during deformation and lead to the generation of seismic anisotropy measured by shear wave splitting. In particular, we use atomic scale simulations to calculate the energies of generalised stacking faults in phase D, which are used to parameterise Peierls-Nabarro models of dislocation structures and Peierls stresses at pressures up to 60 GPa. We then use results from these calculations as parameters for models of texture development in polycrystalline aggregates during deformation using the visco-plastic self-consistent approach. In combination with measurement of the distribution of seismic anisotropy around subducting slabs, and an analysis of the strain pattern expected as slabs pass through the transition zone, these results could constrain an important part of Earth's deep water cycle.

The evolution of the deformation substructure in a Ni-Co-Cr equiatomic solid solution alloy

DOE PAGES

Miao, Jiashi; Slone, C. E.; Smith, T. M.; ...

2017-05-15

The equiatomic NiCoCr alloy exhibits an excellent combination of strength and ductility, even greater than the FeNiCrCoMn high entropy alloy, and also displays a simultaneous increase in strength and ductility with decreasing the testing temperature. To systemically investigate the origin of the exceptional properties of NiCoCr alloy, which are related to the evolution of the deformation substructure with strain, interrupted tensile testing was conducted on the equiatomic NiCoCr single-phase solid solution alloy at both cryogenic and room temperatures at five different plastic strain levels of 1.5%, 6.5%, 29%, 50% and 70%. The evolution of deformation substructure was examined using electronmore » backscatter diffraction (EBSD), transmission Kikuchi diffraction (TKD), conventional transmission electron microscopy (CTEM), diffraction contrast imaging using STEM (DCI-STEM) and atomic resolution scanning transmission electron microscopy. While the deformation substructure mainly consisted of planar dislocation slip and the dissociation of dislocations into stacking faults at small strain levels (≤6.5%), at larger strain levels, additional substructures including nanotwins and a new phase with hexagonal close packed (HCP) lamellae also appeared. The volume fraction of the HCP lamellae increases with increasing deformation, especially at cryogenic temperature. First principles calculations at 0 K indicate that the HCP phase is indeed energetically favorable relative to FCC for this composition. In conclusion, the effects of the nanotwin and HCP lamellar structures on hardening rate and ductility at both cryogenic and room temperature are qualitatively discussed.« less

Formation and Growth of Stacking Fault Tetrahedra in Ni via Vacancy Aggregation Mechanism

DOE PAGES

Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke; ...

2015-12-29

Using molecular dynamics simulations, the formation and growth of stacking fault tetrahedra (SFT) are captured by vacancy cluster diffusion and aggregation mechanisms in Ni. The vacancytetrahedron acts as a nucleation point for SFT formation. Simulations show that perfect SFT can grow to the next size perfect SFT via a vacancy aggregation mechanism. The stopping and range of ions in matter (SRIM) calculations and transmission electron microscopy (TEM) observations reveal that SFT can form farther away from the initial cascade-event locations, indicating the operation of diffusion-based vacancy-aggregation mechanism.

Formation and Growth of Stacking Fault Tetrahedra in Ni via Vacancy Aggregation Mechanism

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

Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke

Using molecular dynamics simulations, the formation and growth of stacking fault tetrahedra (SFT) are captured by vacancy cluster diffusion and aggregation mechanisms in Ni. The vacancytetrahedron acts as a nucleation point for SFT formation. Simulations show that perfect SFT can grow to the next size perfect SFT via a vacancy aggregation mechanism. The stopping and range of ions in matter (SRIM) calculations and transmission electron microscopy (TEM) observations reveal that SFT can form farther away from the initial cascade-event locations, indicating the operation of diffusion-based vacancy-aggregation mechanism.

Ductilizing bulk metallic glass composite by tailoring stacking fault energy.

PubMed

Wu, Y; Zhou, D Q; Song, W L; Wang, H; Zhang, Z Y; Ma, D; Wang, X L; Lu, Z P

2012-12-14

Martensitic transformation was successfully introduced to bulk metallic glasses as the reinforcement micromechanism. In this Letter, it was found that the twinning property of the reinforcing crystals can be dramatically improved by reducing the stacking fault energy through microalloying, which effectively alters the electron charge density redistribution on the slipping plane. The enhanced twinning propensity promotes the martensitic transformation of the reinforcing austenite and, consequently, improves plastic stability and the macroscopic tensile ductility. In addition, a general rule to identify effective microalloying elements based on their electronegativity and atomic size was proposed.

New Growth Mode through Decorated Twin Boundaries

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

Bleikamp, Sebastian; Thoma, Arne; Polop, Celia

2006-03-24

Scanning tunneling microscopy and low energy electron diffraction were used to investigate the growth of partly twinned Ir thin films on Ir(111). A transition from the expected layer-by-layer to a defect dominated growth mode with a fixed lateral length scale and increasing roughness is observed. During growth, the majority of the film is stably transformed to twinned stacking. This transition is initiated by the energetic avoidance of the formation of intrinsic stacking faults compared to two independent twin faults. The atomistic details of the defect kinetics are outlined.

New growth mode through decorated twin boundaries.

PubMed

Bleikamp, Sebastian; Thoma, Arne; Polop, Celia; Pirug, Gerhard; Linke, Udo; Michely, Thomas

2006-03-24

Scanning tunneling microscopy and low energy electron diffraction were used to investigate the growth of partly twinned Ir thin films on Ir(111). A transition from the expected layer-by-layer to a defect dominated growth mode with a fixed lateral length scale and increasing roughness is observed. During growth, the majority of the film is stably transformed to twinned stacking. This transition is initiated by the energetic avoidance of the formation of intrinsic stacking faults compared to two independent twin faults. The atomistic details of the defect kinetics are outlined.

INTERNATIONAL CONFERENCE ON SEMICONDUCTOR INJECTION LASERS SELCO-87: Calculation of the yield of fault-free laser diodes from the characteristics of the (100)InP substrate material used in epitaxial double heterostructures

NASA Astrophysics Data System (ADS)

Baerwolff, A.; Enders, P.; Knauer, A.; Linke, D.; Zeimer, U.

1988-11-01

It is shown that the yield of fault-free laser diodes is related to the density and distribution of dislocations in the substrate. A method is described for visualization of etch pits and of their relationship to defects in the substrate.

Dislocation models of interseismic deformation in the western United States

USGS Publications Warehouse

Pollitz, F.F.; McCrory, P.; Svarc, J.; Murray, J.

2008-01-01

The GPS-derived crustal velocity field of the western United States is used to construct dislocation models in a viscoelastic medium of interseismic crustal deformation. The interseismic velocity field is constrained by 1052 GPS velocity vectors spanning the ???2500-km-long plate boundary zone adjacent to the San Andreas fault and Cascadia subduction zone and extending ???1000 km into the plate interior. The GPS data set is compiled from U.S. Geological Survey campaign data, Plate Boundary Observatory data, and the Western U.S. Cordillera velocity field of Bennett et al. (1999). In the context of viscoelastic cycle models of postearthquake deformation, the interseismic velocity field is modeled with a combination of earthquake sources on ???100 known faults plus broadly distributed sources. Models that best explain the observed interseismic velocity field include the contributions of viscoelastic relaxation from faulting near the major plate margins, viscoelastic relaxation from distributed faulting in the plate interior, as well as lateral variations in depth-averaged rigidity in the elastic lithosphere. Resulting rigidity variations are consistent with reduced effective elastic plate thickness in a zone a few tens of kilometers wide surrounding the San Andreas fault (SAF) system. Primary deformation characteristics are captured along the entire SAF system, Eastern California Shear Zone, Walker Lane, the Mendocino triple junction, the Cascadia margin, and the plate interior up to ???1000 km from the major plate boundaries.

Solid-State Fault Current Limiter Development : Design and Testing Update of a 15kV SSCL Power Stack

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

Dr. Ram Adapa; Mr. Dante Piccone

2012-04-30

ABSTRACT The Solid-State Fault Current Limiter (SSCL) is a promising technology that can be applied to utility power delivery systems to address the problem of increasing fault currents associated with load growth. As demand continues to grow, more power is added to utility system either by increasing generator capacity or by adding distributed generators, resulting in higher available fault currents, often beyond the capabilities of the present infrastructure. The SSCL is power-electronics based equipment designed to work with the present utility system to address this problem. The SSCL monitors the line current and dynamically inserts additional impedance into the linemore » in the event of a fault being detected. The SSCL is based on a modular design and can be configured for 5kV through 69kV systems at nominal current ratings of 1000A to 4000A. Results and Findings This report provides the final test results on the development of 15kV class SSCL single phase power stack. The scope of work included the design of the modular standard building block sub-assemblies, the design and manufacture of the power stack and the testing of the power stack for the key functional tests of continuous current capability and fault current limiting action. Challenges and Objectives Solid-State Current Limiter technology impacts a wide spectrum of utility engineering and operating personnel. It addresses the problems associated with load growth both at Transmission and Distribution class networks. The design concept is pioneering in terms of developing the most efficient and compact power electronics equipment for utility use. The initial test results of the standard building blocks are promising. The independent laboratory tests of the power stack are promising. However the complete 3 phase system needs rigorous testing for performance and reliability. Applications, Values, and Use The SSCL is an intelligent power-electronics device which is modular in design and can provide current limiting or current interrupting capabilities. It can be applied to variety of applications from distribution class to transmission class power delivery grids and networks. It can also be applied to single major commercial and industrial loads and distributed generator supplies. The active switching of devices can be further utilized for protection of substation transformers. The stress on the system can be reduced substantially improving the life of the power system. It minimizes the voltage sag by speedy elimination of heavy fault currents and promises to be an important element of the utility power system. DOE Perspective This development effort is now focused on a 15kV system. This project will help mitigate the challenges of increasing available fault current. DOE has made a major contribution in providing a cost effective SSCL designed to integrate seamlessly into the Transmission and Distribution networks of today and the future. Approach SSCL development program for a 69kV SSCL was initiated which included the use of the Super GTO advanced semiconductor device which won the 2007 R&D100 Award. In the beginning, steps were identified to accomplish the economically viable design of a 69kV class Solid State Current Limiter that is extremely reliable, cost effective, and compact enough to be applied in urban transmission. The prime thrust in design and development was to encompass the 1000A and the 3000A ratings and provide a modular design to cover the wide range of applications. The focus of the project was then shifted to a 15kV class SSCL. The specifications for the 15kV power stack are reviewed. The design changes integrated into the 15kV power stack are discussed. In this Technical Update the complete project is summarized followed by a detailed test report. The power stack independent high voltage laboratory test requirements and results are presented. Keywords Solid State Current Limiter, SSCL, Fault Current Limiter, Fault Current Controller, Power electronics controller, Intelligent power-electronics Device, IED« less

Postseismic viscoelastic surface deformation and stress. Part 1: Theoretical considerations, displacement and strain calculations

NASA Technical Reports Server (NTRS)

Cohen, S. C.

1979-01-01

A model of viscoelastic deformations associated with earthquakes is presented. A strike-slip fault is represented by a rectangular dislocation in a viscoelastic layer (lithosphere) lying over a viscoelastic half-space (asthenosphere). Deformations occur on three time scales. The initial response is governed by the instantaneous elastic properties of the earth. A slower response is associated with viscoelastic relaxation of the lithosphere and a yet slower response is due to viscoelastic relaxation of the asthenosphere. The major conceptual contribution is the inclusion of lithospheric viscoelastic properties into a dislocation model of earthquake related deformations and stresses. Numerical calculations using typical fault parameters reveal that the postseismic displacements and strains are small compared to the coseismic ones near the fault, but become significant further away. Moreover, the directional sense of the deformations attributable to the elastic response, the lithospheric viscoelastic softening, and the asthenospheric viscoelastic flow may differ and depend on location and model details. The results and theoretical arguments suggest that the stress changes accompanying lithospheric relaxation may also be in a different sense than and be larger than the strain changes.

Near band gap luminescence in hybrid organic-inorganic structures based on sputtered GaN nanorods.

PubMed

Forsberg, Mathias; Serban, Elena Alexandra; Hsiao, Ching-Lien; Junaid, Muhammad; Birch, Jens; Pozina, Galia

2017-04-26

Novel hybrid organic-inorganic nanostructures fabricated to utilize non-radiative resonant energy transfer mechanism are considered to be extremely attractive for a variety of light emitters for down converting of ultaviolet light and for photovoltaic applications since they can be much more efficient compared to devices grown with common design. Organic-inorganic hybrid structures based on green polyfluorene (F8BT) and GaN (0001) nanorods grown by magnetron sputtering on Si (111) substrates are studied. In such nanorods, stacking faults can form periodic polymorphic quantum wells characterized by bright luminescence. In difference to GaN exciton emission, the recombination rate for the stacking fault related emission increases in the presence of polyfluorene film, which can be understood in terms of Förster interaction mechanism. From comparison of dynamic properties of the stacking fault related luminescence in the hybrid structures and in the bare GaN nanorods, the pumping efficiency of non-radiative resonant energy transfer in hybrids was estimated to be as high as 35% at low temperatures.

The role of surface diffusion and wing tilt in the formation of localized stacking faults in high In-content InGaN MQW nanostructures

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

Nakajima, Yoshitake; Dapkus, P. Daniel

Yellow and green emitting multiple quantum well structures are grown on nanostripe templates with {10-11} facets. SEM and cathodoluminescence measurements show a correlation between rough surface morphology near the bottom of the stripes and non-radiative recombination centers. Transmission electron microscopy (TEM) analysis shows that these surface instabilities are a result of stacking faults generated from the quantum well (QW) regions near the bottom of the pyramid that propagate to the surface. HRTEM images show that the stacking faults are I{sub 1} type which is formed by removal of one half basal plane to relieve the compressive strain in the InGaNmore » QW. Thicker QWs near the bottom as a result of growth rate enhancement due to the surface diffusion of the precursors from the mask regions cause increased strain. Additionally, the compressive strain induced by the bending of the nanostructure towards the growth mask further increases the strain experienced by the QW thereby causing the localized defect generation.« less

Anisotropy of Earth's D'' layer and stacking faults in the MgSiO3 post-perovskite phase.

PubMed

Oganov, Artem R; Martonák, Roman; Laio, Alessandro; Raiteri, Paolo; Parrinello, Michele

2005-12-22

The post-perovskite phase of (Mg,Fe)SiO3 is believed to be the main mineral phase of the Earth's lowermost mantle (the D'' layer). Its properties explain numerous geophysical observations associated with this layer-for example, the D'' discontinuity, its topography and seismic anisotropy within the layer. Here we use a novel simulation technique, first-principles metadynamics, to identify a family of low-energy polytypic stacking-fault structures intermediate between the perovskite and post-perovskite phases. Metadynamics trajectories identify plane sliding involving the formation of stacking faults as the most favourable pathway for the phase transition, and as a likely mechanism for plastic deformation of perovskite and post-perovskite. In particular, the predicted slip planes are {010} for perovskite (consistent with experiment) and {110} for post-perovskite (in contrast to the previously expected {010} slip planes). Dominant slip planes define the lattice preferred orientation and elastic anisotropy of the texture. The {110} slip planes in post-perovskite require a much smaller degree of lattice preferred orientation to explain geophysical observations of shear-wave anisotropy in the D'' layer.

Significant contribution of stacking faults to the strain hardening behavior of Cu-15%Al alloy with different grain sizes.

PubMed

Tian, Y Z; Zhao, L J; Chen, S; Shibata, A; Zhang, Z F; Tsuji, N

2015-11-19

It is commonly accepted that twinning can induce an increase of strain-hardening rate during the tensile process of face-centered cubic (FCC) metals and alloys with low stacking fault energy (SFE). In this study, we explored the grain size effect on the strain-hardening behavior of a Cu-15 at.%Al alloy with low SFE. Instead of twinning, we detected a significant contribution of stacking faults (SFs) irrespective of the grain size even in the initial stage of tensile process. In contrast, twinning was more sensitive to the grain size, and the onset of deformation twins might be postponed to a higher strain with increasing the grain size. In the Cu-15 at.%Al alloy with a mean grain size of 47 μm, there was a stage where the strain-hardening rate increases with strain, and this was mainly induced by the SFs instead of twinning. Thus in parallel with the TWIP effect, we proposed that SFs also contribute significantly to the plasticity of FCC alloys with low SFE.

Significant contribution of stacking faults to the strain hardening behavior of Cu-15%Al alloy with different grain sizes

PubMed Central

Tian, Y. Z.; Zhao, L. J.; Chen, S.; Shibata, A.; Zhang, Z. F.; Tsuji, N.

2015-01-01

It is commonly accepted that twinning can induce an increase of strain-hardening rate during the tensile process of face-centered cubic (FCC) metals and alloys with low stacking fault energy (SFE). In this study, we explored the grain size effect on the strain-hardening behavior of a Cu-15 at.%Al alloy with low SFE. Instead of twinning, we detected a significant contribution of stacking faults (SFs) irrespective of the grain size even in the initial stage of tensile process. In contrast, twinning was more sensitive to the grain size, and the onset of deformation twins might be postponed to a higher strain with increasing the grain size. In the Cu-15 at.%Al alloy with a mean grain size of 47 μm, there was a stage where the strain-hardening rate increases with strain, and this was mainly induced by the SFs instead of twinning. Thus in parallel with the TWIP effect, we proposed that SFs also contribute significantly to the plasticity of FCC alloys with low SFE. PMID:26582568

The role of surface diffusion and wing tilt in the formation of localized stacking faults in high In-content InGaN MQW nanostructures

NASA Astrophysics Data System (ADS)

Nakajima, Yoshitake; Dapkus, P. Daniel

2016-08-01

Yellow and green emitting multiple quantum well structures are grown on nanostripe templates with {10-11} facets. SEM and cathodoluminescence measurements show a correlation between rough surface morphology near the bottom of the stripes and non-radiative recombination centers. Transmission electron microscopy (TEM) analysis shows that these surface instabilities are a result of stacking faults generated from the quantum well (QW) regions near the bottom of the pyramid that propagate to the surface. HRTEM images show that the stacking faults are I1 type which is formed by removal of one half basal plane to relieve the compressive strain in the InGaN QW. Thicker QWs near the bottom as a result of growth rate enhancement due to the surface diffusion of the precursors from the mask regions cause increased strain. Additionally, the compressive strain induced by the bending of the nanostructure towards the growth mask further increases the strain experienced by the QW thereby causing the localized defect generation.

Stacking faults and mechanisms strain-induced transformations of hcp metals (Ti, Mg) during mechanical activation in liquid hydrocarbons

NASA Astrophysics Data System (ADS)

Lubnin, A. N.; Dorofeev, G. A.; Nikonova, R. M.; Mukhgalin, V. V.; Lad'yanov, V. I.

2017-11-01

The evolution of the structure and substructure of metals Ti and Mg with hexagonal close-packed (hcp) lattice is studied during their mechanical activation in a planetary ball mill in liquid hydrocarbons (toluene, n-heptane) and with additions of carbon materials (graphite, fullerite, nanotubes) by X-ray diffraction, scanning electron microscopy, and chemical analysis. The temperature behavior and hydrogen-accumulating properties of mechanocomposites are studied. During mechanical activation of Ti and Mg, liquid hydrocarbons decay, metastable nanocrystalline titanium carbohydride Ti(C,H) x and magnesium hydride β-MgH2 are formed, respectively. The Ti(C,H) x and MgH2 formation mechanisms during mechanical activation are deformation ones and are associated with stacking faults accumulation, and the formation of face-centered cubic (fcc) packing of atoms. Metastable Ti(C,H)x decays at a temperature of 550°C, the partial reverse transformation fcc → hcp occurs. The crystalline defect accumulation (nanograin boundaries, stacking faults), hydrocarbon destruction, and mechanocomposite formation leads to the enhancement of subsequent magnesium hydrogenation in the Sieverts reactor.

A first principles study of commonly observed planar defects in Ti/TiB system

DOE PAGES

Nandwana, Peeyush; Gupta, Niraj; Srinivasan, Srivilliputhur G.; ...

2018-04-20

Here, TiB exhibits a hexagonal cross-section with growth faults on (1 0 0) planes and contains B27-B f bicrystals. The hexagonal cross-section is presently explained by surface free energy minimization principle. We show that interfacial energy calculations explain the longer (1 0 0) facet compared to (1 0 1) type facets whereas free surface energy arguments do not provide the true picture. No quantitative explanation of stacking faults and B27-B f interfaces in TiB exists. We show that the low formation energy of stacking faults and B27-B f interfaces explain their abundance. The low energy barrier for B f formationmore » is shown to be responsible for their presence in TiB.« less

A first principles study of commonly observed planar defects in Ti/TiB system

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

Nandwana, Peeyush; Gupta, Niraj; Srinivasan, Srivilliputhur G.

Here, TiB exhibits a hexagonal cross-section with growth faults on (1 0 0) planes and contains B27-B f bicrystals. The hexagonal cross-section is presently explained by surface free energy minimization principle. We show that interfacial energy calculations explain the longer (1 0 0) facet compared to (1 0 1) type facets whereas free surface energy arguments do not provide the true picture. No quantitative explanation of stacking faults and B27-B f interfaces in TiB exists. We show that the low formation energy of stacking faults and B27-B f interfaces explain their abundance. The low energy barrier for B f formationmore » is shown to be responsible for their presence in TiB.« less

Order-disorder twinning model and stacking faults in alpha-NTO.

PubMed

Schwarzenbach, Dieter; Kirschbaum, Kristin; Pinkerton, A Alan

2006-10-01

Crystals of the recently published [Bolotina, Kirschbaum & Pinkerton (2005). Acta Cryst. B61, 577-584] triclinic (P\\overline1) structure of 5-nitro-2,4-dihydro-1,2,4-triazol-3-one (alpha-NTO) occur as fourfold twins. There are Z' = 4 independent molecules per asymmetric unit. We show that the structure contains layers with 2-periodic layer-group symmetry p2(1)/b 1 (1). This symmetry is lost through the stacking of the layers, which is a possible explanation for Z' = 4. A layer can assume four different but equivalent positions with respect to its nearest neighbor. Twinning arises through stacking faults and is an instructive example of the application of order-disorder theory using local symmetry operations. The near-neighbor relations between molecules remain unchanged through all twin boundaries. The four structures with maximum degree of order, one of which is the observed one, and the family reflections common to all domains are identified. Rods of weak diffuse scattering confirm the stacking model.

The role of the cubic structure in freezing of a supercooled water droplet on an ice substrate

NASA Astrophysics Data System (ADS)

Takahashi, T.; Kobayashi, T.

1983-12-01

The possibility of the formation of a metastable cubic (diamond) structure and its role in freezing of a supercooled water droplet on an ice substrate are discussed in terms of two-dimensional nucleation. The mode of stacking sequence of new layers formed by two-dimensional nucleation is divided into single and multi-nucleation according to the degree of supercooling and to the size of the supercooled droplet. In the case of single nucleation a frozen droplet develops into a complete hexagonal single crystal or an optically single crystal (containing discontinuous stacking faults). In the case of multi-nucleation attention is paid to the size effect and the stacking direction of the nucleus to calculate the waiting time in the nucleation. Then the frozen droplets are crystallographically divided into three categories: completely single crystals, optically single crystals (containing a small cubic structure, i.e. stacking faults) and polycrystals with a misorientation of 70.53° between the c-axes.

Fast-moving dislocations trigger flash weakening in carbonate-bearing faults during earthquakes

PubMed Central

Spagnuolo, Elena; Plümper, Oliver; Violay, Marie; Cavallo, Andrea; Di Toro, Giulio

2015-01-01

Rupture fronts can cause fault displacement, reaching speeds up to several ms−1 within a few milliseconds, at any distance away from the earthquake nucleation area. In the case of silicate-bearing rocks the abrupt slip acceleration results in melting at asperity contacts causing a large reduction in fault frictional strength (i.e., flash weakening). Flash weakening is also observed in experiments performed in carbonate-bearing rocks but evidence for melting is lacking. To unravel the micro-physical mechanisms associated with flash weakening in carbonates, experiments were conducted on pre-cut Carrara marble cylinders using a rotary shear apparatus at conditions relevant to earthquakes propagation. In the first 5 mm of slip the shear stress was reduced up to 30% and CO2 was released. Focused ion beam, scanning and transmission electron microscopy investigations of the slipping zones reveal the presence of calcite nanograins and amorphous carbon. We interpret the CO2 release, the formation of nanograins and amorphous carbon to be the result of a shock-like stress release associated with the migration of fast-moving dislocations. Amorphous carbon, given its low friction coefficient, is responsible for flash weakening and promotes the propagation of the seismic rupture in carbonate-bearing fault patches. PMID:26552964

Interaction potential for indium phosphide: a molecular dynamics and first-principles study of the elastic constants, generalized stacking fault and surface energies.

PubMed

Branicio, Paulo Sergio; Rino, José Pedro; Gan, Chee Kwan; Tsuzuki, Hélio

2009-03-04

Indium phosphide is investigated using molecular dynamics (MD) simulations and density-functional theory calculations. MD simulations use a proposed effective interaction potential for InP fitted to a selected experimental dataset of properties. The potential consists of two- and three-body terms that represent atomic-size effects, charge-charge, charge-dipole and dipole-dipole interactions as well as covalent bond bending and stretching. Predictions are made for the elastic constants as a function of density and temperature, the generalized stacking fault energy and the low-index surface energies.

Teaching earth science

USGS Publications Warehouse

Alpha, Tau Rho; Diggles, Michael F.

1998-01-01

This CD-ROM contains 17 teaching tools: 16 interactive HyperCard 'stacks' and a printable model. They are separated into the following categories: Geologic Processes, Earthquakes and Faulting, and Map Projections and Globes. A 'navigation' stack, Earth Science, is provided as a 'launching' place from which to access all of the other stacks. You can also open the HyperCard Stacks folder and launch any of the 16 stacks yourself. In addition, a 17th tool, Earth and Tectonic Globes, is provided as a printable document. Each of the tools can be copied onto a 1.4-MB floppy disk and distributed freely.

An improved low-frequency earthquakes catalogue in the vicinity of the late-interseismic central Alpine Fault, Southern Alps, New Zealand

NASA Astrophysics Data System (ADS)

Baratin, Laura-May; Chamberlain, Calum J.; Townend, John; Savage, Martha K.

2017-04-01

Characterising the seismicity associated with slow deformation in the vicinity of the Alpine Fault may provide constraints on the state of stress of this major transpressive margin prior to a large (≥M8) earthquake. Here, we use recently detected tectonic tremor and low-frequency earthquakes (LFEs) to examine how slow tectonic deformation is loading the Alpine Fault toward an anticipated large rupture. We initially work with a continous seismic dataset collected between 2009 and 2012 from an array of short-period seismometers, the Southern Alps Microearthquake Borehole Array. Fourteen primary LFE templates, found through visual inspection within previously identified tectonic tremor, are used in an iterative matched-filter and stacking routine. This method allows the detection of similar signals and establishes LFE families with common locations. We thus generate a 36 month catalogue of 10718 LFEs. The detections are then combined for each LFE family using phase-weighted stacking to yield a signal with the highest possible signal to noise ratio. We found phase-weighted stacking to be successful in increasing the number of LFE detections by roughly 20%. Phase-weighted stacking also provides cleaner phase arrivals of apparently impulsive nature allowing more precise phase picks. We then compute non-linear earthquake locations using a 3D velocity model and find LFEs to occur below the seismogenic zone at depths of 18-34 km, locating on or near the proposed deep extent of the Alpine Fault. To gain insight into deep fault slip behaviour, a detailed study of the spatial-temporal evolution of LFEs is required. We thus generate a more extensive catalogue of LFEs spanning the years 2009 to 2016 using a different technique to detect LFEs more efficiently. This time 638 synthetic waveforms are used as primary templates in the match-filter routine. Of those, 38 templates yield no detections over our 7-yr study period. The remaining 600 templates end up detecting between 370 and 730 events each totalling ˜310 000 detections. We then focus on only keeping the detections that robustly stack (i.e. representing real LFEs) for each synthetic template hence creating new LFE templates. From there, we rerun the match-filter routine with our new LFE templates. Finally, each LFE template and its subsequent detections form a LFE family, itself associated with a single source. Initial testing shows that this technique paired up with phase-weighted stacking increases the number of LFE families and overall detected events roughly thirtyfold. Our next step is to study in detail the spatial and temporal activity of our LFEs. This new catalogue should provide new insight into the deep central Alpine Fault structure and its slip behaviour.

Fault Creep along the Southern San Andreas from Interferometric Synthetic Aperture Radar, Permanent Scatterers, and Stacking

NASA Technical Reports Server (NTRS)

Lyons, Suzanne; Sandwell, David

2003-01-01

Interferometric synthetic aperture radar (InSAR) provides a practical means of mapping creep along major strike-slip faults. The small amplitude of the creep signal (less than 10 mm/yr), combined with its short wavelength, makes it difficult to extract from long time span interferograms, especially in agricultural or heavily vegetated areas. We utilize two approaches to extract the fault creep signal from 37 ERS SAR images along the southem San Andreas Fault. First, amplitude stacking is utilized to identify permanent scatterers, which are then used to weight the interferogram prior to spatial filtering. This weighting improves correlation and also provides a mask for poorly correlated areas. Second, the unwrapped phase is stacked to reduce tropospheric and other short-wavelength noise. This combined processing enables us to recover the near-field (approximately 200 m) slip signal across the fault due to shallow creep. Displacement maps fiom 60 interferograms reveal a diffuse secular strain buildup, punctuated by localized interseismic creep of 4-6 mm/yr line of sight (LOS, 12-18 mm/yr horizontal). With the exception of Durmid Hill, this entire segment of the southern San Andreas experienced right-lateral triggered slip of up to 10 cm during the 3.5-year period spanning the 1992 Landers earthquake. The deformation change following the 1999 Hector Mine earthquake was much smaller (4 cm) and broader than for the Landers event. Profiles across the fault during the interseismic phase show peak-to-trough amplitude ranging from 15 to 25 mm/yr (horizontal component) and the minimum misfit models show a range of creeping/locking depth values that fit the data.

The influence of void and porosity on deformation behaviour of nanocrystalline Ni under tensile followed by compressive loading

NASA Astrophysics Data System (ADS)

Meraj, Md.; Nayak, Shradha; Krishanjeet, Kumar; Pal, Snehanshu

2018-03-01

In this paper, we present a lucid understanding about the deformation behaviour of nanocrystalline (NC) Ni with and without defects subjected to tensile followed by compressive loading using molecular dynamic (MD) simulations. The embedded atom method (EAM) potential have been incorporated in the simulation for three kinds of samples-i.e. for NC Ni (without any defect), porous NC Ni and NC Ni containing a centrally located void. All the three samples, which have been prepared by implementing the Voronoi method and using Atom Eye software, consist of 16 uniform grains. The total number of atoms present in NC Ni, porous NC Ni and NC Ni containing a void are 107021, 105968 and 107012 respectively. The stress-strain response of NC Ni under tensile followed by compressive loading are simulated at a high strain rate of 107 s-1 and at a constant temperature of 300K. The stress-strain curves for the NC Ni with and without defects have been plotted for three different types of loading: (a) tensile loading (b) compressive loading (c) forward tensile loading followed by reverse compressive loading. Prominent change in yield strength of the NC Ni is observed due to the introduction of defects. For tensile followed by compressive loading (during forward loading), the yield point for NC Ni with void is lesser than the yield point of NC Ni and porous NC Ni. The saw tooth shape or serration portion of the stress-strain curve is mainly due to three characteristic phenomena, dislocation generation and its movement, dislocation pile-up at the junctions, and dislocation annihilation. Both twins and stacking faults are observed due to plastic deformation as the deformation mechanism progresses. The dislocation density, number of clusters and number of vacancy of the NC sample with and without defects are plotted against the strain developed in the sample. It is seen that introduction of defects brings about change in mechanical properties of the NC Ni. The crystalline nature of NC Ni is found to decrease with introduction of defects. The findings of this work can thus be extended in bringing a whole new insight related to the deformation behaviour and properties of Nano- materials during cyclic deformation at various temperatures.

Earthquake-origin expansion of the Earth inferred from a spherical-Earth elastic dislocation theory

NASA Astrophysics Data System (ADS)

Xu, Changyi; Sun, Wenke

2014-12-01

In this paper, we propose an approach to compute the coseismic Earth's volume change based on a spherical-Earth elastic dislocation theory. We present a general expression of the Earth's volume change for three typical dislocations: the shear, tensile and explosion sources. We conduct a case study for the 2004 Sumatra earthquake (Mw9.3), the 2010 Chile earthquake (Mw8.8), the 2011 Tohoku-Oki earthquake (Mw9.0) and the 2013 Okhotsk Sea earthquake (Mw8.3). The results show that mega-thrust earthquakes make the Earth expand and earthquakes along a normal fault make the Earth contract. We compare the volume changes computed for finite fault models and a point source of the 2011 Tohoku-Oki earthquake (Mw9.0). The big difference of the results indicates that the coseismic changes in the Earth's volume (or the mean radius) are strongly dependent on the earthquakes' focal mechanism, especially the depth and the dip angle. Then we estimate the cumulative volume changes by historical earthquakes (Mw ≥ 7.0) since 1960, and obtain an Earth mean radius expanding rate about 0.011 mm yr-1.

Displacement field for an edge dislocation in a layered half-space

USGS Publications Warehouse

Savage, J.C.

1998-01-01

The displacement field for an edge dislocation in an Earth model consisting of a layer welded to a half-space of different material is found in the form of a Fourier integral following the method given by Weeks et al. [1968]. There are four elementary solutions to be considered: the dislocation is either in the half-space or the layer and the Burgers vector is either parallel or perpendicular to the layer. A general two-dimensional solution for a dip-slip faulting or dike injection (arbitrary dip) can be constructed from a superposition of these elementary solutions. Surface deformations have been calculated for an edge dislocation located at the interface with Burgers vector inclined 0??, 30??, 60??, and 90?? to the interface for the case where the rigidity of the layer is half of that of the half-space and the Poisson ratios are the same. Those displacement fields have been compared to the displacement fields generated by similarly situated edge dislocations in a uniform half-space. The surface displacement field produced by the edge dislocation in the layered half-space is very similar to that produced by an edge dislocation at a different depth in a uniform half-space. In general, a low-modulus (high-modulus) layer causes the half-space equivalent dislocation to appear shallower (deeper) than the actual dislocation in the layered half-space.

Synthesis and crystal structure of a new aluminum-silicon-nitride phosphor containing boron, Ba5B2Al4Si32N52:Eu

NASA Astrophysics Data System (ADS)

Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto

2017-07-01

Single crystals of Ba5B2Al4Si32N52:Eu were grown on the wall of a boron nitride crucible by heating a starting mixture of binary nitrides at 2050 °C and a N2 pressure of 0.85 MPa. The fundamental reflections of X-ray diffraction (XRD) for the crystals were indexed with triclinic cell parameters, a=9.7879(11) Å, b=9.7920(11) Å, c=12.7226(15) Å, α=96.074(4)°, β=112.330(3)°, and γ=94.080(4)°. Streak lines were observed between the fundamental reflections in the direction of the c* axis in the oscillation XRD images and selected area electron diffraction (SAED) patterns, indicating stacking faults in the structure. The atomic images of stacking faults with a slip system of (0 0 1)[-1 1 0]/3, and displacement of a Ba atom layer with (0 0 1)[-1 -1 0]/6 were observed with a scanning transmission electron microscope (STEM). The models of the basic (normal-stacking) structure with space group P1 and local structures of the stacking faults are herein presented. The single crystals emitted blue light with a peak wavelength of 472 nm and a full width at half maximum of 78 nm under 365 nm excitation.

Reliability analysis and initial requirements for FC systems and stacks

NASA Astrophysics Data System (ADS)

Åström, K.; Fontell, E.; Virtanen, S.

In the year 2000 Wärtsilä Corporation started an R&D program to develop SOFC systems for CHP applications. The program aims to bring to the market highly efficient, clean and cost competitive fuel cell systems with rated power output in the range of 50-250 kW for distributed generation and marine applications. In the program Wärtsilä focuses on system integration and development. System reliability and availability are key issues determining the competitiveness of the SOFC technology. In Wärtsilä, methods have been implemented for analysing the system in respect to reliability and safety as well as for defining reliability requirements for system components. A fault tree representation is used as the basis for reliability prediction analysis. A dynamic simulation technique has been developed to allow for non-static properties in the fault tree logic modelling. Special emphasis has been placed on reliability analysis of the fuel cell stacks in the system. A method for assessing reliability and critical failure predictability requirements for fuel cell stacks in a system consisting of several stacks has been developed. The method is based on a qualitative model of the stack configuration where each stack can be in a functional, partially failed or critically failed state, each of the states having different failure rates and effects on the system behaviour. The main purpose of the method is to understand the effect of stack reliability, critical failure predictability and operating strategy on the system reliability and availability. An example configuration, consisting of 5 × 5 stacks (series of 5 sets of 5 parallel stacks) is analysed in respect to stack reliability requirements as a function of predictability of critical failures and Weibull shape factor of failure rate distributions.

Investigations of stacking fault density in perpendicular recording media

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

Piramanayagam, S. N., E-mail: prem-SN@dsi.a-star.edu.sg; Varghese, Binni; Yang, Yi

In magnetic recording media, the grains or clusters reverse their magnetization over a range of reversal field, resulting in a switching field distribution. In order to achieve high areal densities, it is desirable to understand and minimize such a distribution. Clusters of grains which contain stacking faults (SF) or fcc phase have lower anisotropy, an order lower than those without them. It is believed that such low anisotropy regions reverse their magnetization at a much lower reversal field than the rest of the material with a larger anisotropy. Such clusters/grains cause recording performance deterioration, such as adjacent track erasure andmore » dc noise. Therefore, the observation of clusters that reverse at very low reversal fields (nucleation sites, NS) could give information on the noise and the adjacent track erasure. Potentially, the observed clusters could also provide information on the SF. In this paper, we study the reversal of nucleation sites in granular perpendicular media based on a magnetic force microscope (MFM) methodology and validate the observations with high resolution cross-section transmission electron microscopy (HRTEM) measurements. Samples, wherein a high anisotropy CoPt layer was introduced to control the NS or SF in a systematic way, were evaluated by MFM, TEM, and magnetometry. The magnetic properties indicated that the thickness of the CoPt layer results in an increase of nucleation sites. TEM measurements indicated a correlation between the thickness of CoPt layer and the stacking fault density. A clear correlation was also observed between the MFM results, TEM observations, and the coercivity and nucleation field of the samples, validating the effectiveness of the proposed method in evaluating the nucleation sites which potentially arise from stacking faults.« less

An application of synthetic seismicity in earthquake statistics - The Middle America Trench

NASA Technical Reports Server (NTRS)

Ward, Steven N.

1992-01-01

The way in which seismicity calculations which are based on the concept of fault segmentation incorporate the physics of faulting through static dislocation theory can improve earthquake recurrence statistics and hone the probabilities of hazard is shown. For the Middle America Trench, the spread parameters of the best-fitting lognormal or Weibull distributions (about 0.75) are much larger than the 0.21 intrinsic spread proposed in the Nishenko Buland (1987) hypothesis. Stress interaction between fault segments disrupts time or slip predictability and causes earthquake recurrence to be far more aperiodic than has been suggested.

Variation of microstructural and optical properties in SILAR grown ZnO thin films by thermal treatment.

PubMed

Valanarasu, S; Dhanasekaran, V; Chandramohan, R; Kulandaisamy, I; Sakthivelu, A; Mahalingam, T

2013-08-01

The influence of thermal treatment on the structural and morphological properties of the ZnO films deposited by double dip Successive ionic layer by adsorption reaction is presented. The effect of annealing temperature and time in air ambient is presented in detail. The deposited films were annealed from 200 to 400 degrees C in air and the structural properties were determined as a function of annealing temperature by XRD. The studies revealed that films were exhibiting preferential orientation along (002) plane. The other structural parameters like the crystallite size (D), micro strain (epsilon), dislocation density (delta) and stacking fault (alpha) of as-deposited and annealed ZnO films were evaluated and reported. The optical properties were also studied and the band gap of the ZnO thins films varied from 3.27 to 3.04 eV with the annealing temperature. SEM studies revealed that the hexagonal shaped grains with uniformly distributed morphology in annealed ZnO thin films. It has been envisaged using EDX analysis that the near stoichiometric composition of the film can be attained by thermal treatment during which microstructural changes do occur.

Fine grained 304 ASS processed by a severe plastic deformation and subsequent annealing; microstructure and mechanical properties evaluation

NASA Astrophysics Data System (ADS)

Salout, Shima Ahmadzadeh; Shirazi, Hasan; Nili-Ahmadabadi, Mahmoud

2018-01-01

The current research is an attempt to study the effect of a novel severe plastic deformation technique so called "repetitive corrugation and straightening by rolling" (RCSR) and subsequent annealing on the microstructure and mechanical properties of AISI type 304 austenitic stainless steel. In this study, RCSR process was carried out at 200 °C on the 304 austenitic stainless steel (above Md30 temperature that is about 50 °C for this stainless steel) in order to avoid the formation of martensite phase when a high density of dislocations was introduced into the austenite phase and also high density of mechanical twins was induced in the deformed 304 austenitic stainless steel. Because of relationship between deformation temperature, stacking fault energy (SFE) and mechanisms of deformation. Thereafter subsequently, annealing treatment was applied into deformed structure in order to refine the microstructure of 304 stainless s teel. The specimens were examined by means of optical microscopy (OM), scanning electron microscopy (SEM), tensile and micro-hardness tests. The results indicate that by increasing the cycles of RCSR process (increasing applied strain), further mechanical twins are induced, the hardness and in particular, the yield stress of specimens have been increased.

Comprehensive Deformation Analysis of a Newly Designed Ni-Free Duplex Stainless Steel with Enhanced Plasticity by Optimizing Austenite Stability

NASA Astrophysics Data System (ADS)

Moallemi, Mohammad; Zarei-Hanzaki, Abbas; Eskandari, Mostafa; Burrows, Andrew; Alimadadi, Hossein

2017-08-01

A new metastable Ni-free duplex stainless steel has been designed with superior plasticity by optimizing austenite stability using thermodynamic calculations of stacking fault energy and with reference to literature findings. Several characterization methods comprising optical microscopy, magnetic phase measurements, X-ray diffraction (XRD) and electron backscattered diffraction were employed to study the plastic deformation behavior and to identify the operating plasticity mechanisms. The results obtained show that the newly designed duplex alloy exhibits some extraordinary mechanical properties, including an ultimate tensile strength of 900 MPa and elongation to fracture of 94 pct due to the synergistic effects of transformation-induced plasticity and twinning-induced plasticity. The deformation mechanism of austenite is complex and includes deformation banding, strain-induced martensite formation, and deformation-induced twinning, while the ferrite phase mainly deforms by dislocation slip. Texture analysis indicates that the Copper and Rotated Brass textures in austenite (FCC phase) and {001}<110> texture in ferrite and martensite (BCC phases) are the main active components during tensile deformation. The predominance of these components is logically related to the strain-induced martensite and/or twin formation.

Atomic simulation of mechanical behavior of Mg in a super-lattice of nanocrystalline Mg and amorphous Mg-Al alloy

NASA Astrophysics Data System (ADS)

Song, H. Y.; An, M. R.; Li, Y. L.; Deng, Q.

2014-12-01

The mechanical properties of a super-lattice architecture composed of nanocrystalline Mg and Mg-Al amorphous alloy are investigated using molecular dynamics simulation. The results indicate that deformation mechanism of nanocrystalline Mg is obviously affected by the amorphous boundary spacing and temperature. The strength of the material increases with the decrease of amorphous boundary spacing, presenting a Hall-Petch effect at both 10 K and 300 K. A stress platform and following stiffness softening, as well as a linear strengthening in the plastic stage, are observed when the amorphous boundary spacing below 8.792 nm at 10 K. The implying reason may be that the amorphous boundary acts as the dislocations emission and absorption source. However, the second stress peak is not observed for the models at 300 K. Instead, the flow stress in plastic stage is a nearly constant value. The simulation demonstrates the emergence of the new grain, accompanied by the deformation twins and stacking faults associated with the plastic behaviors at 300 K. The general conclusions derived from this work may provide a guideline for the design of high-performance hexagonal close-packed metals.

Steps in Solution Growth: Revised Gibbs-Thomson Law, Turbulence and Morphological Stability

NASA Technical Reports Server (NTRS)

Chernov, A. A.; Rashkovich, L. N.; Vekilov, P. G.

2004-01-01

Two groups of new phenomena revealed by AFM and high resolution optical interferometry on crystal faces growing from solutions will be discussed. 1. Spacing between strongly polygonized spiral steps with low less than 10(exp -2) kink density on lysozyme and K- biphtalate do not follow the Burton-cabrera-Frank theory. The critical length of the yet immobile first Short step segment adjacent to a pinning defect (dislocation, stacking fault) is many times longer than that following from the step free energy. The low-kink density steps are typical of many growth conditions and materials, including low temperature gas phase epitaxy and MBE. 2. The step bunching pattern on the approx. 1 cm long { 110) KDP face growing from the turbulent solution flow (Re (triple bonds) 10(exp 4), solution flow rate approx. 1 m/s) suggests that the step bunch height does not increase infinitely as the bunch path on the crystal face rises, as is usually observed on large KDP crystals. The mechanism controlling the maximal bunch width and height is based on the drag of the solution depleted by the step bunch down thc solution stream. It includes splitting, coagulation and interlacing of bunches

Coarse gaining of molecular crystals: limitations imposed by molecular flexibility

NASA Astrophysics Data System (ADS)

Picu, Catalin; Pal, Anirban

Molecular crystals include molecular electronics, energetic materials, pharmaceuticals and some food components. In many of these applications the small scale mechanical behavior of the crystal is important such as for example in energetic materials where detonation is induced by the formation of hot spots which are induced thermomechanically, and in pharmaceuticals where phase stability is critical for the biochemical activity of the drug. Accurate modeling of these processes requires resolving the atomistic scale details of the material. However, the cost of these models is very large due to the complexity of the molecules forming the crystal, and some form of coarse graning is necessary. In this study we identify the limitations imposed by the need to accurately capture molecular flexibility on the development of coarse grained models for the energetic molecular crystal RDX. We define guidelines for the definition of coarse grained models that target elastic and plastic crystal scale properties such as elastic constants, thermal expansion, compressibility, the critical stress for the motion of dislocations (Peierls stress) and the stacking fault energy This work was supported by the ARO through Grant W911NF-09-1-0330 and AFRL through Grant FA8651-16-1-0004.

Optical investigation of microscopic defect distribution in semi-polar (1-101 and 11-22) InGaN light-emitting diodes

NASA Astrophysics Data System (ADS)

Hafiz, Shopan; Andrade, Nicolas; Monavarian, Morteza; Izyumskaya, Natalia; Das, Saikat; Zhang, Fan; Avrutin, Vitaliy; Morkoç, Hadis; Özgür, Ümit

2016-02-01

Near-field scanning optical microscopy was applied to investigate the spatial variations of extended defects and their effects on the optical quality for semi-polar (1-101) and (11-22) InGaN light emitting diodes (LEDs). (1-101) and (11-22) oriented InGaN LEDs emitting at 450-470 nm were grown on patterned Si (001) 7° offcut substrates and m-sapphire substrates by means of nano-epitaxial lateral overgrowth (ELO), respectively. For (1-101) structures, the photoluminescence (PL) at 85 K from the near surface c+ wings was found to be relatively uniform and strong across the sample. However, emission from the c- wings was substantially weaker due to the presence of high density of threading dislocations (TDs) and basal plane stacking faults (BSFs) as revealed from the local PL spectra. In case of (11-22) LED structures, near-field PL intensity correlated with the surface features and the striations along the direction parallel to the c-axis projection exposed facets where the Indium content was higher as deduced from shift in the PL peak energy.

Efficient reduction of defects in (1120) non-polar and (1122) semi-polar GaN grown on nanorod templates

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

Bai, J.; Gong, Y.; Xing, K.

2013-03-11

(1120) non-polar and (1122) semi-polar GaNs with a low defect density have been achieved by means of an overgrowth on nanorod templates, where a quick coalescence with a thickness even below 1 {mu}m occurs. On-axis and off-axis X-ray rocking curve measurements have shown a massive reduction in the linewidth for our overgrown GaN in comparison with standard GaN films grown on sapphire substrates. Transmission electron microscope observation demonstrates that the overgrowth on the nanorod templates takes advantage of an omni-directional growth around the sidewalls of the nanostructures. The dislocations redirect in basal planes during the overgrowth, leading to their annihilationmore » and termination at voids formed due to a large lateral growth rate. In the non-polar GaN, the priority <0001> lateral growth from vertical sidewalls of nanorods allows basal plane stacking faults (BSFs) to be blocked in the nanorod gaps; while for semi-polar GaN, the propagation of BSFs starts to be impeded when the growth front is changed to be along inclined <0001> direction above the nanorods.« less

Deformation twinning: Influence of strain rate

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

Gray, G.T. III

Twins in most crystal structures, including advanced materials such as intermetallics, form more readily as the temperature of deformation is decreased or the rate of deformation is increased. Both parameters lead to the suppression of thermally-activated dislocation processes which can result in stresses high enough to nucleate and grow deformation twins. Under high-strain rate or shock-loading/impact conditions deformation twinning is observed to be promoted even in high stacking fault energy FCC metals and alloys, composites, and ordered intermetallics which normally do not readily deform via twinning. Under such conditions and in particular under the extreme loading rates typical of shockmore » wave deformation the competition between slip and deformation twinning can be examined in detail. In this paper, examples of deformation twinning in the intermetallics TiAl, Ti-48Al-lV and Ni{sub 3}A as well in the cermet Al-B{sub 4}C as a function of strain rate will be presented. Discussion includes: (1) the microstructural and experimental variables influencing twin formation in these systems and twinning topics related to high-strain-rate loading, (2) the high velocity of twin formation, and (3) the influence of deformation twinning on the constitutive response of advanced materials.« less

Microstructure Characteristics of High Lift Factor MOCVD REBCO Coated Conductors With High Zr Content

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

Galstyan, E; Gharahcheshmeh, MH; Delgado, L

We report the microstructural characteristics of high levels of Zr-added REBa2Cu3O7-x (RE = Gd, Y rare earth) coated conductors fabricated by Metal Organic Chemical Vapor Deposition (MOCVD). The enhancements of the lift factor defined as a ratio of the in-field (3 T, B parallel to c-axis) critical current density (J(c)) at 30 K and self-field J(c) at 77 K have been achieved for Zr addition levels of 20 and 25 mol% via optimization of deposition parameters. The presence of strong flux pinning is attributed to the aligned nanocolumns of BaZrO3 and nanoprecipitates embedded in REBa2Cu3O7-x matrix with good crystal quality.more » A high density of BZO nanorods with a typical size 6-8 nm and spacing of 20 nm has been observed. Moreover, the high Zr content was found to induce a high density of intrinsic defects, including stacking faults and dislocations. The correlation between in-field performance along the c-axis and microstructure of (Gd, Y) BCO film with a high level of Zr addition is discussed.« less

Effects of surface passivation on twin-free GaAs nanosheets.

PubMed

Arab, Shermin; Chi, Chun-Yung; Shi, Teng; Wang, Yuda; Dapkus, Daniel P; Jackson, Howard E; Smith, Leigh M; Cronin, Stephen B

2015-02-24

Unlike nanowires, GaAs nanosheets exhibit no twin defects, stacking faults, or dislocations even when grown on lattice mismatched substrates. As such, they are excellent candidates for optoelectronic applications, including LEDs and solar cells. We report substantial enhancements in the photoluminescence efficiency and the lifetime of passivated GaAs nanosheets produced using the selected area growth (SAG) method with metal organic chemical vapor deposition (MOCVD). Measurements are performed on individual GaAs nanosheets with and without an AlGaAs passivation layer. Both steady-state photoluminescence and time-resolved photoluminescence spectroscopy are performed to study the optoelectronic performance of these nanostructures. Our results show that AlGaAs passivation of GaAs nanosheets leads to a 30- to 40-fold enhancement in the photoluminescence intensity. The photoluminescence lifetime increases from less than 30 to 300 ps with passivation, indicating an order of magnitude improvement in the minority carrier lifetime. We attribute these enhancements to the reduction of nonradiative recombination due to the compensation of surface states after passivation. The surface recombination velocity decreases from an initial value of 2.5 × 10(5) to 2.7 × 10(4) cm/s with passivation.

Texture evolution and mechanical anisotropy of biomedical hot-rolled Co-Cr-Mo alloy.

PubMed

Mori, Manami; Yamanaka, Kenta; Sato, Shigeo; Chiba, Akihiko

2015-11-01

Crystallographic textures and their effect on the mechanical anisotropy of a hot-rolled biomedical Co-Cr-Mo alloy were investigated. The hot-rolled Co-28Cr-6Mo-0.13N (mass%) alloy examined here exhibited a monotonic strength increment following hot-rolling reduction, eventually reaching a 0.2% proof stress of 1400 MPa while maintaining acceptable ductility (>10%). The dominant hot-rolling texture was a brass-type component, which is characterized by the alloy's peculiarly low stacking fault energy (SFE) even at hot rolling temperatures, although the minor peaks of the near copper component were also identified. However, because of the onset of dynamic recrystallization (DRX) during the hot rolling process, the texture intensity was relatively weak even after 90% hot rolling, although the grain refinement originating from the DRX was not significant (the "less active DRX" condition increased the strain accumulation during the process, resulting in high-strength samples). The weakened texture development resulted in negligible in-plane anisotropy for the hot-rolled specimen strength, when the specimens were tensile strained in the rolling direction (RD) and transverse direction (TD). The elongation-to-failure, however, exhibited a difference with respect to the tensile loading axis. It is suggested that the ductility anisotropy is closely related to a strain-induced γ (fcc) → ε (hcp) martensitic transformation during tensile loading, resulting in a difference in the proportion of quasi-cleavage fracture surfaces. The obtained results will be helpful in the development of high-strength Co-Cr-Mo alloy plates and sheets, and have implications regarding plastic deformation and texture evolution during the hot rolling of non-conventional metallic materials with low SFE at elevated temperatures, where planar dislocation slips of Shockley partial dislocations and thermally activated process interplay. Copyright © 2015 Elsevier Ltd. All rights reserved.

Microstructure Characterization of Fiber Laser Welds of S690QL High-Strength Steels

NASA Astrophysics Data System (ADS)

Li, Baoming; Xu, Peiquan; Lu, Fenggui; Gong, Hongying; Cui, Haichao; Liu, Chuangen

2018-02-01

The use of fiber laser welding to join S690QL steels has attracted interest in the field of construction and assembly. Herein, 13-mm-thick S690QL welded joints were obtained without filler materials using the fiber laser. The as-welded microstructures and the impact energies of the joints were characterized and measured using electron microscopy in conjunction with high-resolution transmission electron images, X-ray diffraction, and impact tests. The results indicated that a single-sided welding technique could be used to join S690QL steels up to a thickness of 12 mm (fail to fuse the joint in the root) when the laser power is equal to 12 kW (scan speed 1 m/min). Double-side welding technique allows better weld penetration and better control of heat distribution. Observation of the samples showed that the fusion zone exhibited bainitic and martensitic microstructures with increased amounts of martensites (Ms) compared with the base materials. Also, the grains in the fusion zone increased in coarseness as the heat input was increased. The fusion zone exhibited increased hardness (397 HV0.2) while exhibiting a simultaneous decrease in the impact toughness. The maximum impact energy value of 26 J was obtained from the single-side-welded sample, which is greater than those obtained from the double-side-welded samples (maximum of 18 J). Many more dislocations and plastic deformations were found in the fusion zone than the heat-affected zone in the joint, which hardened the joints and lowered the impact toughness. The microstructures characterized by FTEM-energy-dispersive X-ray spectrometer also exhibited laths of M, as well as stacking faults and dislocations featuring high-density, interfacial structure ledges that occur between the high-angle grain boundaries and the M and bainite.

Pressure-induced stiffness of Au nanoparticles to 71 GPa under quasi-hydrostatic loading

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

Hong, Xinguo; Duffy, Thomas S.; Ehm, Lars

2015-11-16

The compressibility of nanocrystalline gold (n-Au, 20 nm) has been studied by x-ray total scattering using high-energy monochromatic x-rays in the diamond anvil cell under quasi-hydrostatic conditions up to 71 GPa. The bulk modulus, K 0, of the n-Au obtained from fitting to a Vinet equation of state is ~196(3) GPa, which is about 17% higher than for the corresponding bulk materials (K 0: 167 GPa). At low pressures (<7 GPa), the compression behavior of n-Au shows little difference from that of bulk Au. With increasing pressure, the compressive behavior of n-Au gradually deviates from the equation of state (EOS)more » of bulk gold. Analysis of the pair distribution function, peak broadening and Rietveld refinement reveals that the microstructure of n-Au is nearly a single-grain/domain at ambient conditions, but undergoes substantial pressure-induced reduction in grain size until 10 GPa. The results indicate that the nature of the internal microstructure in n-Au is associated with the observed EOS difference from bulk Au at high pressure. Full-pattern analysis confirms that significant changes in grain size, stacking faults, grain orientation and texture occur in n-Au at high pressure. We have observed direct experimental evidence of a transition in compressional mechanism for n-Au at ~20 GPa, i.e. from a deformation dominated by nucleation and motion of lattice dislocations (dislocation-mediated) to a prominent grain boundary mediated response to external pressure. In conclusion, the internal microstructure inside the nanoparticle (nanocrystallinity) plays a critical role for the macro-mechanical properties of nano-Au.« less

Pressure-induced stiffness of Au nanoparticles to 71 GPa under quasi-hydrostatic loading.

PubMed

Hong, Xinguo; Duffy, Thomas S; Ehm, Lars; Weidner, Donald J

2015-12-09

The compressibility of nanocrystalline gold (n-Au, 20 nm) has been studied by x-ray total scattering using high-energy monochromatic x-rays in the diamond anvil cell under quasi-hydrostatic conditions up to 71 GPa. The bulk modulus, K0, of the n-Au obtained from fitting to a Vinet equation of state is ~196(3) GPa, which is about 17% higher than for the corresponding bulk materials (K0: 167 GPa). At low pressures (<7 GPa), the compression behavior of n-Au shows little difference from that of bulk Au. With increasing pressure, the compressive behavior of n-Au gradually deviates from the equation of state (EOS) of bulk gold. Analysis of the pair distribution function, peak broadening and Rietveld refinement reveals that the microstructure of n-Au is nearly a single-grain/domain at ambient conditions, but undergoes substantial pressure-induced reduction in grain size until 10 GPa. The results indicate that the nature of the internal microstructure in n-Au is associated with the observed EOS difference from bulk Au at high pressure. Full-pattern analysis confirms that significant changes in grain size, stacking faults, grain orientation and texture occur in n-Au at high pressure. We have observed direct experimental evidence of a transition in compressional mechanism for n-Au at ~20 GPa, i.e. from a deformation dominated by nucleation and motion of lattice dislocations (dislocation-mediated) to a prominent grain boundary mediated response to external pressure. The internal microstructure inside the nanoparticle (nanocrystallinity) plays a critical role for the macro-mechanical properties of nano-Au.

Interpretation of microstructures in high temperature deformation

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

McQueen, H.J.

1999-07-01

In each historical period the microstructures produced by high temperature straining were probed by the current technology, this giving rise to new models and theories of rate controlling mechanisms. The progress in understanding has not been monotonic since occasionally theories were developed to high levels of sophistication while overlooking aspects of the substructure which were to become significant. New technologies such as TEM, or SEM-EBSP-OIM have made possible great leaps forward but often leave unresolved problems on a different scale. Experimental observations are presented of substructures in Al with solute, dynamic precipitates, dispersoids and reinforcing particles and in both austeniticmore » and ferritic stainless steels, thus providing a range of crystal structures and stacking fault energies (SFE). After the historical analysis, the current view of the hot-worked state will be presented with comparison of the conflicting theories. The analysis is centered on dislocation strain and there is only mention of pertinent interactions with grain boundary related deformation. The first seventy references point to research being done during the period that Prof. Julia Weertman (also the author) was pursuing research for the Ph.D. or starting a teaching career. it was an exciting time in which the applications of dislocation theory to cold working, recovery and creep were being confirmed by intragranular structural observations. Both the new modes of microscopic examination and the enhanced theories made possible the surge in fundamental understanding of hot working mechanisms that were summarized in the following twenty classic reviews. Finally, the remaining fifty references survey the current research which attempts to clarify the more complex details of the mechanisms: dynamic recovery (DRV) and dynamic recrystallization (DRX).« less

Alignment control and atomically-scaled heteroepitaxial interface study of GaN nanowires.

PubMed

Liu, Qingyun; Liu, Baodan; Yang, Wenjin; Yang, Bing; Zhang, Xinglai; Labbé, Christophe; Portier, Xavier; An, Vladimir; Jiang, Xin

2017-04-20

Well-aligned GaN nanowires are promising candidates for building high-performance optoelectronic nanodevices. In this work, we demonstrate the epitaxial growth of well-aligned GaN nanowires on a [0001]-oriented sapphire substrate in a simple catalyst-assisted chemical vapor deposition process and their alignment control. It is found that the ammonia flux plays a key role in dominating the initial nucleation of GaN nanocrystals and their orientation. Typically, significant improvement of the GaN nanowire alignment can be realized at a low NH 3 flow rate. X-ray diffraction and cross-sectional scanning electron microscopy studies further verified the preferential orientation of GaN nanowires along the [0001] direction. The growth mechanism of GaN nanowire arrays is also well studied based on cross-sectional high-resolution transmission electron microscopy (HRTEM) characterization and it is observed that GaN nanowires have good epitaxial growth on the sapphire substrate following the crystallographic relationship between (0001) GaN ∥(0001) sapphire and (101[combining macron]0) GaN ∥(112[combining macron]0) sapphire . Most importantly, periodic misfit dislocations are also experimentally observed in the interface region due to the large lattice mismatch between the GaN nanowire and the sapphire substrate, and the formation of such dislocations will favor the release of structural strain in GaN nanowires. HRTEM analysis also finds the existence of "type I" stacking faults and voids inside the GaN nanowires. Optical investigation suggests that the GaN nanowire arrays have strong emission in the UV range, suggesting their crystalline nature and chemical purity. The achievement of aligned GaN nanowires will further promote the wide applications of GaN nanostructures toward diverse high-performance optoelectronic nanodevices including nano-LEDs, photovoltaic cells, photodetectors etc.

Oxygen induced strain field homogenization in AlN nucleation layers and its impact on GaN grown by metal organic vapor phase epitaxy on sapphire: An x-ray diffraction study

NASA Astrophysics Data System (ADS)

Bläsing, J.; Krost, A.; Hertkorn, J.; Scholz, F.; Kirste, L.; Chuvilin, A.; Kaiser, U.

2009-02-01

This paper presents an x-ray study of GaN, which is grown on nominally undoped and oxygen-doped AlN nucleation layers on sapphire substrates by metal organic vapor phase epitaxy. Without additional oxygen doping a trimodal nucleation distribution of AlN is observed leading to inhomogeneous in-plane strain fields, whereas in oxygen-doped layers a homogeneous distribution of nucleation centers is observed. In both types of nucleation layers extremely sharp correlation peaks occur in transverse ω-scans which are attributed to a high density of edge-type dislocations having an in-plane Burgers vector. The correlation peaks are still visible in the (0002) ω-scans of 500 nm GaN which might mislead an observer to conclude incorrectly that there exists an extremely high structural quality. For the undoped nucleation layers depth-sensitive measurements in grazing incidence geometry reveal a strong thickness dependence of the lattice parameter a, whereas no such dependence is observed for doped samples. For oxygen-doped nucleation layers, in cross-sectional transmission electron microscopy images a high density of stacking faults parallel to the substrate surface is found in contrast to undoped nucleation layers where a high density of threading dislocations is visible. GaN of 2.5 μm grown on top of 25 nm AlN nucleation layers with an additional in situ SiN mask show full widths at half maximum of 160″ and 190″ in (0002) and (10-10) high-resolution x-ray diffraction ω-scans, respectively.

Effect of Alloying on the Strength Properties and the Hardening Mechanisms of Nitrogen-Bearing Austenitic Steels after Hot Deformation and Annealing

NASA Astrophysics Data System (ADS)

Bannykh, I. O.

2017-11-01

The main mechanisms of hardening nitrogen-bearing austenitic steels that operate under various thermomechanical treatment conditions at various steel compositions are considered. The strength properties of the steels are shown to depend on the content of interstitial elements, namely, carbon and nitrogen, and the influence of these elements on the stacking fault energy is estimated. The ratios of the main alloying elements that favor an increase or a decrease in the stacking fault energy are found to achieve the desirable level of strain hardening provided that an austenitic structure of steel is retained.

Composition-dependence of stacking fault energy in austenitic stainless steels through linear regression with random intercepts

NASA Astrophysics Data System (ADS)

Meric de Bellefon, G.; van Duysen, J. C.; Sridharan, K.

2017-08-01

The stacking fault energy (SFE) plays an important role in deformation behavior and radiation damage of FCC metals and alloys such as austenitic stainless steels. In the present communication, existing expressions to calculate SFE in those steels from chemical composition are reviewed and an improved multivariate linear regression with random intercepts is used to analyze a new database of 144 SFE measurements collected from 30 literature references. It is shown that the use of random intercepts can account for experimental biases in these literature references. A new expression to predict SFE from austenitic stainless steel compositions is proposed.

Interaction of sodium atoms with stacking faults in silicon with different Fermi levels

NASA Astrophysics Data System (ADS)

Ohno, Yutaka; Morito, Haruhiko; Kutsukake, Kentaro; Yonenaga, Ichiro; Yokoi, Tatsuya; Nakamura, Atsutomo; Matsunaga, Katsuyuki

2018-06-01

Variation in the formation energy of stacking faults (SFs) with the contamination of Na atoms was examined in Si crystals with different Fermi levels. Na atoms agglomerated at SFs under an electronic interaction, reducing the SF formation energy. The energy decreased with the decrease of the Fermi level: it was reduced by more than 10 mJ/m2 in p-type Si, whereas it was barely reduced in n-type Si. Owing to the energy reduction, Na atoms agglomerating at SFs in p-type Si are stable compared with those in n-type Si, and this hypothesis was supported by ab initio calculations.

Defects in paramagnetic Co-doped ZnO films studied by transmission electron microscopy

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

Kovacs, Andras; Ney, A.; Duchamp, Martial

2013-12-23

We have studied planar defects in epitaxial Co:ZnO dilute magnetic semiconductor thin films deposited on c-plane sapphire (Al2O3) and the Co:ZnO/Al2O3 interface structure at atomic resolution using aberration-corrected transmission electron microscopy (TEM) and electron energy-loss spectroscopy (EELS). Comparing Co:ZnO samples deposited by pulsed laser deposition and reactive magnetron sputtering, both exhibit extrinsic stacking faults, incoherent interface structures, and compositional variations within the first 3-4 Co:ZnO layers at the interface.. In addition, we have measured the local strain which reveals the lattice distortion around the stacking faults.

Creep Mechanisms of a Ni-Co-Based-Wrought Superalloy with Low Stacking Fault Energy

NASA Astrophysics Data System (ADS)

Tian, Chenggang; Xu, Ling; Cui, Chuanyong; Sun, Xiaofeng

2015-10-01

In order to study the influences of stress and temperature on the creep deformation mechanisms of a newly developed Ni-Co-based superalloy with low stacking fault energy, creep experiments were carried out under a stress range of 345 to 840 MPa and a temperature range of 923 K to 1088 K (650 °C to 815 °C). The mechanisms operated under the various creep conditions were identified and the reasons for their transformation were well discussed. A deformation mechanism map under different creep conditions was summarized, which provides a qualitative representation of the operative creep mechanisms as a function of stress and temperature.

Strain-induced structure transformations on Si(111) and Ge(111) surfaces: a combined density-functional and scanning tunneling microscopy study.

PubMed

Zhachuk, R; Teys, S; Coutinho, J

2013-06-14

Si(111) and Ge(111) surface formation energies were calculated using density functional theory for various biaxial strain states ranging from -0.04 to 0.04, and for a wide set of experimentally observed surface reconstructions: 3 × 3, 5 × 5, 7 × 7 dimer-adatom-stacking fault reconstructions and c(2 × 8), 2 × 2, and √3×√3 adatoms based surfaces. The calculations are compared with scanning tunneling microscopy data obtained on stepped Si(111) surfaces and on Ge islands grown on a Si(111) substrate. It is shown that the surface structure transformations observed in these strained systems are accounted for by a phase diagram that relates the equilibrium surface structure to the applied strain. The calculated formation energy of the unstrained Si(111)-9 × 9 dimer-adatom-stacking fault surface is reported for the first time and it is higher than corresponding energies of Si(111)-5 × 5 and Si(111)-7 × 7 dimer-adatom-stacking fault surfaces as expected. We predict that the Si(111) surface should adopt a c(2 × 8) reconstruction when tensile strain is above 0.03.

First principle study on generalized-stacking-fault energy surfaces of B2-AlRE intermetallic compounds

NASA Astrophysics Data System (ADS)

Li, Shaorong; Wang, Shaofeng; Wang, Rui

2011-12-01

First-principles calculations are used to predict the generalized-stacking-fault energy (GSFE) surfaces of AlRE intermetallics. The calculations employ the projector augmented-wave (PAW) method within the generalized gradient approximation (GGA) using the density functional theory (DFT). GSFE curves along <1 1 1> {1 1 0} direction, <1 1 0> {1 1 0} direction and <1 0 0> {1 1 0} direction have been calculated. The fitted GSFE surfaces have been obtained from the Fourier series based on the translational symmetry. In order to illuminate the reasonable of our computational accuracy, we have compared our theoretical results of B2 intermetallics YCu with the previous calculated results. The unstable-stacking-fault energy (γus) on the {1 1 0} plane has the laws of AlPr, <1 1 0> and <1 1 1> directions. For the antiphase boundary (APB) energy, that of AlSc is the lowest in the calculated AlRE intermetallics. So the superdislocation with the Burgers vector along <1 1 1> direction of AlSc will easily split into two superpartials.

AIC-based diffraction stacking for local earthquake locations at the Sumatran Fault (Indonesia)

NASA Astrophysics Data System (ADS)

Hendriyana, Andri; Bauer, Klaus; Muksin, Umar; Weber, Michael

2018-05-01

We present a new workflow for the localization of seismic events which is based on a diffraction stacking approach. In order to address the effects from complex source radiation patterns, we suggest to compute diffraction stacking from a characteristic function (CF) instead of stacking the original waveform data. A new CF, which is called in the following mAIC (modified from Akaike Information Criterion) is proposed. We demonstrate that both P- and S-wave onsets can be detected accurately. To avoid cross-talk between P and S waves due to inaccurate velocity models, we separate the P and S waves from the mAIC function by making use of polarization attributes. Then, the final image function is represented by the largest eigenvalue as a result of the covariance analysis between P- and S-image functions. Results from synthetic experiments show that the proposed diffraction stacking provides reliable results. The workflow of the diffraction stacking method was finally applied to local earthquake data from Sumatra, Indonesia. Recordings from a temporary network of 42 stations deployed for nine months around the Tarutung pull-apart basin were analysed. The seismic event locations resulting from the diffraction stacking method align along a segment of the Sumatran Fault. A more complex distribution of seismicity is imaged within and around the Tarutung basin. Two lineaments striking N-S were found in the centre of the Tarutung basin which support independent results from structural geology.

Post-1906 stress recovery of the San Andreas fault system calculated from three-dimensional finite element analysis

USGS Publications Warehouse

Parsons, T.

2002-01-01

The M = 7.8 1906 San Francisco earthquake cast a stress shadow across the San Andreas fault system, inhibiting other large earthquakes for at least 75 years. The duration of the stress shadow is a key question in San Francisco Bay area seismic hazard assessment. This study presents a three-dimensional (3-D) finite element simulation of post-1906 stress recovery. The model reproduces observed geologic slip rates on major strike-slip faults and produces surface velocity vectors comparable to geodetic measurements. Fault stressing rates calculated with the finite element model are evaluated against numbers calculated using deep dislocation slip. In the finite element model, tectonic stressing is distributed throughout the crust and upper mantle, whereas tectonic stressing calculated with dislocations is focused mostly on faults. In addition, the finite element model incorporates postseismic effects such as deep afterslip and viscoelastic relaxation in the upper mantle. More distributed stressing and postseismic effects in the finite element model lead to lower calculated tectonic stressing rates and longer stress shadow durations (17-74 years compared with 7-54 years). All models considered indicate that the 1906 stress shadow was completely erased by tectonic loading no later than 1980. However, the stress shadow still affects present-day earthquake probability. Use of stressing rate parameters calculated with the finite element model yields a 7-12% reduction in 30-year probability caused by the 1906 stress shadow as compared with calculations not incorporating interactions. The aggregate interaction-based probability on selected segments (not including the ruptured San Andreas fault) is 53-70% versus the noninteraction range of 65-77%.

Inferring fault rheology from low-frequency earthquakes on the San Andreas

USGS Publications Warehouse

Beeler, Nicholas M.; Thomas, Amanda; Bürgmann, Roland; Shelly, David R.

2013-01-01

Families of recurring low-frequency earthquakes (LFEs) within nonvolcanic tremor (NVT) on the San Andreas fault in central California show strong sensitivity to shear stress induced by the daily tidal cycle. LFEs occur at all levels of the tidal shear stress and are in phase with the very small, ~400 Pa, stress amplitude. To quantitatively explain the correlation, we use a model from the existing literature that assumes the LFE sources are small, persistent regions that repeatedly fail during shear of a much larger scale, otherwise aseismically creeping fault zone. The LFE source patches see tectonic loading, creep of the surrounding fault which may be modulated by the tidal stress, and direct tidal loading. If the patches are small relative to the surrounding creeping fault then the stressing is dominated by fault creep, and if patch failure occurs at a threshold stress, then the resulting seismicity rate is proportional to the fault creep rate or fault zone strain rate. Using the seismicity rate as a proxy for strain rate and the tidal shear stress, we fit the data with possible fault rheologies that produce creep in laboratory experiments at temperatures of 400 to 600°C appropriate for the LFE source depth. The rheological properties of rock-forming minerals for dislocation creep and dislocation glide are not consistent with the observed fault creep because strong correlation between small stress perturbations and strain rate requires perturbation on the order of the ambient stress. The observed tidal modulation restricts ambient stress to be at most a few kilopascal, much lower than rock strength. A purely rate dependent friction is consistent with the observations only if the product of the friction rate dependence and effective normal stress is ~ 0.5 kPa. Extrapolating the friction rate strengthening dependence of phyllosilicates (talc) to depth would require the effective normal stress to be ~50 kPa, implying pore pressure is lithostatic. If the LFE source is on the order of tens of meters, as required by the model, rate-weakening friction rate dependence (e.g., olivine) at 400 to 600°C requires that the minimum effective pressure at the LFE source is ~ 2.5 MPa.

A Reference Stack for PHM Architectures

DTIC Science & Technology

2014-10-02

components, fault modes and prognostics such as that described by MIMOSA (2009) and ISO 13374-3:2012 (2012). Section 2.6 described a semantic...architecture, and the use of a SOA is further discussed in Section 3.3.2. MIMOSA is a stack-oriented data architecture. Figure 11 shows its stack of...format (US Army PEWG, 2011). The tagging in ABCD format respects the data layers that are found in the MIMOSA standard ( MIMOSA , 2009) and in ISO

Postseismic viscoelastic deformation and stress. Part 2: Stress theory and computation; dependence of displacement, strain, and stress on fault parameters

NASA Technical Reports Server (NTRS)

Cohen, S. C.

1979-01-01

A viscoelastic model for deformation and stress associated with earthquakes is reported. The model consists of a rectangular dislocation (strike slip fault) in a viscoelastic layer (lithosphere) lying over a viscoelastic half space (asthenosphere). The time dependent surface stresses are analyzed. The model predicts that near the fault a significant fraction of the stress that was reduced during the earthquake is recovered by viscoelastic softening of the lithosphere. By contrast, the strain shows very little change near the fault. The model also predicts that the stress changes associated with asthenospheric flow extend over a broader region than those associated with lithospheric relaxation even though the peak value is less. The dependence of the displacements, stresses on fault parameters studied. Peak values of strain and stress drop increase with increasing fault height and decrease with fault depth. Under many circumstances postseismic strains and stresses show an increase with decreasing depth to the lithosphere-asthenosphere boundary. Values of the strain and stress at distant points from the fault increase with fault area but are relatively insensitive to fault depth.

Quantification Of 4H- To 3C-Polymorphism In Silicon Carbide (SiC) Epilayers And An Investigation Of Recombination-Enhanced Dislocation Motion In SiC By Optical Emission Microscopy (Oem) Techniques

NASA Technical Reports Server (NTRS)

Speer, Kevin M.

2004-01-01

Environments that impose operational constraints on conventional silicon-(Si) based semiconductor devices frequently appear in military- and space-grade applications. These constraints include high temperature, high power, and high radiation environments. Silicon carbide (SiC), an alternative type of semiconductor material, has received abundant research attention in the past few years, owing to its radiation-hardened properties as well as its capability to withstand high temperatures and power levels. However, the growth and manufacture of SiC devices is still comparatively immature, and there are severe limitations in present crystal growth and device fabrication processes. Among these limitations is a variety of crystal imperfections known as defects. These imperfections can be point defects (e.g., vacancies and interstitials), line defects (e.g., edge and screw dislocations), or planar defects (e.g., stacking faults and double-positioning boundaries). All of these defects have been experimentally shown to be detrimental to the performance of electron devices made from SiC. As such, it is imperative that these defects are significantly reduced in order for SiC devices to become a viable entity in the electronics world. The NASA Glenn High Temperature Integrated Electronics & Sensors Team (HTIES) is working to identify and eliminate these defects in SiC by implementing improved epitaxial crystal growth procedures. HTIES takes two-inch SiC wafers and etches patterns, producing thousands of mesas into each wafer. Crystal growth is then carried out on top of these mesas in an effort to produce films of improved quality-resulting in electron devices that demonstrate superior performance-as well as fabrication processes that are cost-effective, reliable, and reproducible. In this work, further steps are taken to automate HTIES' SiC wafer inspection system. National Instruments LabVIEW image processing and pattern recognition routines are developed that are capable of quantifying and mapping defects on both the substrate and mesa surfaces, and of quantifying polymorphic changes in the grown materials. In addition, an optical emission microscopy (OEM) system is developed that will facilitate comprehensive study of recombination-enhanced dislocation motion (REDM).

Stacking faults density driven collapse of magnetic energy in hcp-cobalt nano-magnets

NASA Astrophysics Data System (ADS)

Nong, H. T. T.; Mrad, K.; Schoenstein, F.; Piquemal, J.-Y.; Jouini, N.; Leridon, B.; Mercone, S.

2017-06-01

Cobalt nanowires with different shape parameters were synthesized via the polyol process. By calculating the magnetic energy product (BH max) both for dried nano-powder and for nanowires in their synthesis solution, we observed unexpected independent BH max values from the nanowires shape. A good alignment of the nanowires leads to a higher BH max value. Our results show that the key parameter driving the magnetic energy product of the cobalt nanowires is the stacking fault density. An exponential collapse of the magnetic energy is observed at very low percentage of structural faults. Cobalt nanowires with almost perfect hcp crystalline structures should present high magnetic energy, which is promising for application in rare earth-free permanent magnets. Oral talk at 8th International Workshop on Advanced Materials Science and Nanotechnology (IWAMSN2016), 8-12 November 2016, Ha Long City, Vietnam.

Crustal deformation in the New Madrid seismic zone and the role of postseismic processes

USGS Publications Warehouse

Boyd, Oliver; Robert Smalley, Jr; Zeng, Yuehua

2015-01-01

Global Navigation Satellite System data across the New Madrid seismic zone (NMSZ) in the central United States over the period from 2000 through 2014 are analyzed and modeled with several deformation mechanisms including the following: (1) creep on subsurface dislocations, (2) postseismic frictional afterslip and viscoelastic relaxation from the 1811–1812 and 1450 earthquakes in the NMSZ, and (3) regional strain. In agreement with previous studies, a dislocation creeping at about 4 mm/yr between 12 and 20 km depth along the downdip extension of the Reelfoot fault reproduces the observations well. We find that a dynamic model of postseismic frictional afterslip from the 1450 and February 1812 Reelfoot fault events can explain this creep. Kinematic and dynamic models involving the Cottonwood Grove fault provide minimal predictive power. This is likely due to the smaller size of the December 1811 event on the Cottonwood Grove fault and a distribution of stations better suited to constrain localized strain across the Reelfoot fault. Regional compressive strain across the NMSZ is found to be less than 3 × 10−9/yr. If much of the present-day surface deformation results from afterslip, it is likely that many of the earthquakes we see today in the NMSZ are aftershocks from the 1811–1812 New Madrid earthquakes. Despite this conclusion, our results are consistent with observations and models of intraplate earthquake clustering. Given this and the recent paleoseismic history of the region, we suggest that seismic hazard is likely to remain significant.

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

NASA Technical Reports Server (NTRS)

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

2009-01-01

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

Lacustrine Paleoseismology Reveals Earthquake Segmentation of the Alpine Fault, New Zealand

NASA Astrophysics Data System (ADS)

Howarth, J. D.; Fitzsimons, S.; Norris, R.; Langridge, R. M.

2013-12-01

Transform plate boundary faults accommodate high rates of strain and are capable of producing large (Mw>7.0) to great (Mw>8.0) earthquakes that pose significant seismic hazard. The Alpine Fault in New Zealand is one of the longest, straightest and fastest slipping plate boundary transform faults on Earth and produces earthquakes at quasi-periodic intervals. Theoretically, the fault's linearity, isolation from other faults and quasi-periodicity should promote the generation of earthquakes that have similar magnitudes over multiple seismic cycles. We test the hypothesis that the Alpine Fault produces quasi-regular earthquakes that contiguously rupture the southern and central fault segments, using a novel lacustrine paleoseismic proxy to reconstruct spatial and temporal patterns of fault rupture over the last 2000 years. In three lakes located close to the Alpine Fault the last nine earthquakes are recorded as megaturbidites formed by co-seismic subaqueous slope failures, which occur when shaking exceeds Modified Mercalli (MM) VII. When the fault ruptures adjacent to a lake the co-seismic megaturbidites are overlain by stacks of turbidites produced by enhanced fluvial sediment fluxes from earthquake-induced landslides. The turbidite stacks record shaking intensities of MM>IX in the lake catchments and can be used to map the spatial location of fault rupture. The lake records can be dated precisely, facilitating meaningful along strike correlations, and the continuous records allow earthquakes closely spaced in time on adjacent fault segments to be distinguished. The results show that while multi-segment ruptures of the Alpine Fault occurred during most seismic cycles, sequential earthquakes on adjacent segments and single segment ruptures have also occurred. The complexity of the fault rupture pattern suggests that the subtle variations in fault geometry, sense of motion and slip rate that have been used to distinguish the central and southern segments of the Alpine Fault can inhibit rupture propagation, producing a soft earthquake segment boundary. The study demonstrates the utility of lakes as paleoseismometers that can be used to reconstruct the spatial and temporal patterns of earthquakes on a fault.

Fluid-controlled faulting process in the Asal Rift, Djibouti, from 8 yr of radar interferometry observations

NASA Astrophysics Data System (ADS)

Doubre, Cécile; Peltzer, Gilles

2007-01-01

The deformation in the Asal Rift (Djibouti) is characterized by magmatic inflation, diking, distributed extension, fissure opening, and normal faulting. An 8 yr time line of surface displacement maps covering the rift, constructed using radar interferometry data acquired by the Canadian satellite Radarsat between 1997 and 2005, reveals the aseismic behavior of faults and its relation with bursts of microseismicity. The observed ground movements show the asymmetric subsidence of the inner floor of the rift with respect to the bordering shoulders accommodated by slip on three of the main active faults. Fault slip occurs both as steady creep and during sudden slip events accompanied by an increase in the seismicity rate around the slipping fault and the Fieale volcanic center. Slip distribution along fault strike shows triangular sections, a pattern not explained by simple elastic dislocation theory. These observations suggest that the Asal Rift faults are in a critical failure state and respond instantly to small pressure changes in fluid-filled fractures connected to the faults, reducing the effective normal stress on their locked section at depth.

Aseismic slip and surface creep on the Hazar-Palu Section of the East Anatolian Fault, Turkey

NASA Astrophysics Data System (ADS)

Ergintav, S.; Cakir, Z.; Dogan, U.; Cetin, S.; Senturk, S.; Karabulut, H.; Saroglu, F.; Dikmen, U.; Bilham, R. G.; Ozdemir, A.; Julaiti, W.; Ozener, H.

2017-12-01

Forming the boundary between the Anatolian and Arabian plates in Turkey, the East Anatolian fault (EAF) is one of the most important tectonic structures in the Eastern Mediterranean region. Together with its conjugate, the North Anatolian Fault (NAF), it accommodates the westward motion of the Anatolian plate at a rate of 10 mm/yr. We study the interseismic deformation along the eastern section of the EAF using SAR data (2012-2017). Interferograms are calculated, using GMT5SAR software (Sandwell et al., 2011). The interferograms are then used to map the velocity field with the Stanford Method for Persistent Scatterers technique (STAMPS; Hooper et al., 2012). In 2015 a new GPS network was established with 6 fault perpendicular profiles crossing segments identified to be creeping from SAR analysis. The closest GPS sites are within 2 km from the surface EAF. Far-field continuous GPS sites permit us to determine the long-term slip rate and hence the depth of creep on the fault using dislocation models. Additionally, two creepmeters were installed to monitor fault creep in a railway tunnel crossing the fault at ≈50 m depth below the ruined medieval village of Palu, at a location where the walls of the tunnel have been offset by 10-20 cm since construction in the middle of the last century. To confirm these results, earthquake catalogs were, also, re-analyzed. The preliminary results, which are obtained from multidisciplinary data, confirm the average slip rate of the EAF is about 10 mm/yr. The results also reveal that the 100-km-long Palu segment in the Elazıg-Bingöl seismic gap is exhibiting aseismic creep at the surface. The surface creep rate varies along the fault locally attaining the far field plate velocity (i.e. 10 mm/yr), implying that significant portion of the elastic strain has been released aseismically. Preliminary modelling with elastic dislocations suggests that some sections of the fault may be creeping from the surface down to the entire seismogenic crust. Our data are the first to confirm aseismic slip on the EAF (supported by TUBITAK 1001 project no:114Y250)

Deformation mechanisms of nanotwinned Al

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

Zhang, Xinghang

The objective of this project is to investigate the role of different types of layer interfaces on the formation of high density stacking fault (SF) in Al in Al/fcc multilayers, and understand the corresponding deformation mechanisms of the films. Stacking faults or twins can be intentionally introduced (via growth) into certain fcc metals with low stacking fault energy (such as Cu, Ag and 330 stainless steels) to achieve high strength, high ductility, superior thermal stability and good electrical conductivity. However it is still a major challenge to synthesize these types of defects into metals with high stacking fault energy, suchmore » as Al. Although deformation twins have been observed in some nanocrystalline Al powders by low temperature, high strain rate cryomilling or in Al at the edge of crack tip or indentation (with the assistance of high stress intensity factor), these deformation techniques typically introduce twins sporadically and the control of deformation twin density in Al is still not feasible. This project is designed to test the following hypotheses: (1) Certain type of layer interfaces may assist the formation of SF in Al, (2) Al with high density SF may have deformation mechanisms drastically different from those of coarse-grained Al and nanotwinned Cu. To test these hypotheses, we have performed the following tasks: (i) Investigate the influence of layer interfaces, stresses and deposition parameters on the formation and density of SF in Al. (ii) Understand the role of SF on the deformation behavior of Al. In situ nanoindentation experiments will be performed to probe deformation mechanisms in Al. The major findings related to the formation mechanism of twins and mechanical behavior of nanotwinned metals include the followings: 1) Our studies show that nanotwins can be introduced into metals with high stacking fault energy, in drastic contrast to the general anticipation. 2) We show two strategies that can effectively introduce growth twins in high-stacking-energy metals: use Ag as a template to introduce high density growth twins in epitaxial Al; and the film thickness is important in determination of volume fraction of growth twins. 3) We prove that high density twin boundaries can lead to significant work hardening capability in nanotwinned Al. We have published 13 articles, including Nature Communications, Nano Letters, and two review articles, one in Annual Review of Materials Research; and one in MRS Bulletin. Two postdocs and three graduate students have worked on the project. Two of them have become postdoc at Sandia National Laboratory and Los Alamos National Laboratory. One of the postdoc has become a faculty at a University. One patent has been filed.« less

FTIR measurements of OH in deformed quartz and feldspars of the South Tibetan Detachment, Greater Himalaya

NASA Astrophysics Data System (ADS)

Jezek, L.; Law, R. D.; Jessup, M. J.; Searle, M. P.; Kronenberg, A. K.

2017-12-01

OH absorption bands due to water in deformed quartz and feldspar grains of mylonites from the low-angle Lhotse Detachment (of the South Tibetan Detachment System, Rongbuk Valley north of Mount Everest) have been measured by Fourier Transform Infrared (FTIR) Spectroscopy. Previous microstructural studies have shown that these rocks deformed by dislocation creep at high temperature conditions in the middle crust (lower - middle amphibolite facies), and oxygen isotope studies suggest significant influx of meteoric water. OH absorption bands at 3400 cm-1 of quartz mylonites from the footwall of the Lhotse Detachment Fault are large, with the character of the molecular water band due to fluid inclusions in milky quartz. Mean water contents depend on structural position relative to the core of the Lhotse Detachment, from 1000 ppm (OH/106 Si) at 420 m below the fault to 11,350 (+/-1095) ppm near its center. The gradient in OH content shown by quartz grains implies influx of meteoric water along the Lhotse Detachment from the Tibetan Plateau ground surface to middle crustal depths, and significant fluid penetration into the extruding Himalayan slab by intergranular, permeable fluid flow processes. Feldspars of individual samples have comparable water contents to those of quartz and some are wetter. Large water contents of quartz and feldspar may have contributed to continued deformation and strain localization on the South Tibetan Detachment System. Dislocation creep in quartz is facilitated by water in laboratory experiments, and the water contents of the Lhotse fault rocks are similar to (and even larger than) water contents of quartz experimentally deformed during water weakening. Water contents of feldspars are comparable to those of plagioclase aggregates deformed experimentally by dislocation and diffusion creep under wet conditions.

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

NASA Astrophysics Data System (ADS)

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

2016-06-01

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

Structural and dynamic characteristics in monolayer square ice.

PubMed

Zhu, YinBo; Wang, FengChao; Wu, HengAn

2017-07-28

When water is constrained between two sheets of graphene, it becomes an intriguing monolayer solid with a square pattern due to the ultrahigh van der Waals pressure. However, the square ice phase has become a matter of debate due to the insufficient experimental interpretation and the slightly rhomboidal feature in simulated monolayer square-like structures. Here, we performed classical molecular dynamics simulations to reveal monolayer square ice in graphene nanocapillaries from the perspective of structure and dynamic characteristics. Monolayer square-like ice (instantaneous snapshot), assembled square-rhombic units with stacking faults, is a long-range ordered structure, in which the square and rhombic units are assembled in an order of alternative distribution, and the other rhombic unit forms stacking faults (polarized water chains). Spontaneous flipping of water molecules in monolayer square-like ice is intrinsic and induces transformations among different elementary units, resulting in the structural evolution of monolayer square ice in dynamics. The existence of stacking faults should be attributed to the spontaneous flipping behavior of water molecules under ambient temperature. Statistical averaging results (thermal average positions) demonstrate the inherent square characteristic of monolayer square ice. The simulated data and insight obtained here might be significant for understanding the topological structure and dynamic behavior of monolayer square ice.

Effects of alloying element and temperature on the stacking fault energies of dilute Ni-base superalloys.

PubMed

Shang, S L; Zacherl, C L; Fang, H Z; Wang, Y; Du, Y; Liu, Z K

2012-12-19

A systematic study of stacking fault energy (γ(SF)) resulting from induced alias shear deformation has been performed by means of first-principles calculations for dilute Ni-base superalloys (Ni(23)X and Ni(71)X) for various alloying elements (X) as a function of temperature. Twenty-six alloying elements are considered, i.e., Al, Co, Cr, Cu, Fe, Hf, Ir, Mn, Mo, Nb, Os, Pd, Pt, Re, Rh, Ru, Sc, Si, Ta, Tc, Ti, V, W, Y, Zn, and Zr. The temperature dependence of γ(SF) is computed using the proposed quasistatic approach based on a predicted γ(SF)-volume-temperature relationship. Besides γ(SF), equilibrium volume and the normalized stacking fault energy (Γ(SF) = γ(SF)/Gb, with G the shear modulus and b the Burgers vector) are also studied as a function of temperature for the 26 alloying elements. The following conclusions are obtained: all alloying elements X studied herein decrease the γ(SF) of fcc Ni, approximately the further the alloying element X is from Ni on the periodic table, the larger the decrease of γ(SF) for the dilute Ni-X alloy, and roughly the γ(SF) of Ni-X decreases with increasing equilibrium volume. In addition, the values of γ(SF) for all Ni-X systems decrease with increasing temperature (except for Ni-Cr at higher Cr content), and the largest decrease is observed for pure Ni. Similar to the case of the shear modulus, the variation of γ(SF) for Ni-X systems due to various alloying elements is traceable from the distribution of (magnetization) charge density: the spherical distribution of charge density around a Ni atom, especially a smaller sphere, results in a lower value of γ(SF) due to the facility of redistribution of charges. Computed stacking fault energies and the related properties are in favorable accord with available experimental and theoretical data.

A novel micro-Raman technique to detect and characterize 4H-SiC stacking faults

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

Piluso, N., E-mail: nicolo.piluso@imm.cnr.it; Camarda, M.; La Via, F.

A novel Micro-Raman technique was designed and used to detect extended defects in 4H-SiC homoepitaxy. The technique uses above band-gap high-power laser densities to induce a local increase of free carriers in undoped epitaxies (n < 10{sup 16} at/cm{sup −3}), creating an electronic plasma that couples with the longitudinal optical (LO) Raman mode. The Raman shift of the LO phonon-plasmon-coupled mode (LOPC) increases as the free carrier density increases. Crystallographic defects lead to scattering or recombination of the free carriers which results in a loss of coupling with the LOPC, and in a reduction of the Raman shift. Given that the LOmore » phonon-plasmon coupling is obtained thanks to the free carriers generated by the high injection level induced by the laser, we named this technique induced-LOPC (i-LOPC). This technique allows the simultaneous determination of both the carrier lifetime and carrier mobility. Taking advantage of the modifications on the carrier lifetime induced by extended defects, we were able to determine the spatial morphology of stacking faults; the obtained morphologies were found to be in excellent agreement with those provided by standard photoluminescence techniques. The results show that the detection of defects via i-LOPC spectroscopy is totally independent from the stacking fault photoluminescence signals that cover a large energy range up to 0.7 eV, thus allowing for a single-scan simultaneous determination of any kind of stacking fault. Combining the i-LOPC method with the analysis of the transverse optical mode, the micro-Raman characterization can determine the most important properties of unintentionally doped film, including the stress status of the wafer, lattice impurities (point defects, polytype inclusions) and a detailed analysis of crystallographic defects, with a high spectral and spatial resolution.« less

Clustering on Magnesium Surfaces - Formation and Diffusion Energies.

PubMed

Chu, Haijian; Huang, Hanchen; Wang, Jian

2017-07-12

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and [Formula: see text]. In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a [Formula: see text], clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface [Formula: see text] is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich-Schwoebel barriers converge as the step height is three atomic layers or thicker. Adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.

Variations in creep rate along the Hayward Fault, California, interpreted as changes in depth of creep

USGS Publications Warehouse

Simpson, R.W.; Lienkaemper, J.J.; Galehouse, J.S.

2001-01-01

Variations ill surface creep rate along the Hayward fault are modeled as changes in locking depth using 3D boundary elements. Model creep is driven by screw dislocations at 12 km depth under the Hayward and other regional faults. Inferred depth to locking varies along strike from 4-12 km. (12 km implies no locking.) Our models require locked patches under the central Hayward fault, consistent with a M6.8 earthquake in 1868, but the geometry and extent of locking under the north and south ends depend critically on assumptions regarding continuity and creep behavior of the fault at its ends. For the northern onshore part of the fault, our models contain 1.4-1.7 times more stored moment than the model of Bu??rgmann et al. [2000]; 45-57% of this stored moment resides in creeping areas. It is important for seismic hazard estimation to know how much of this moment is released coseismically or as aseismic afterslip.

Seismic Reflectivity of the Crust in the Northern Salton Trough

NASA Astrophysics Data System (ADS)

Bauer, K.; Fuis, G. S.; Goldman, M.; Persaud, P.; Ryberg, T.; Langenheim, V. E.; Scheirer, D. S.; Rymer, M. J.; Hole, J. A.; Stock, J. M.; Catchings, R.

2015-12-01

The Salton Trough in southern California is a tectonically active pull-apart basin that was formed by migrating step-overs between strike-slip faults, of which the San Andreas Fault (SAF) and the Imperial Fault are the current, northernmost examples. The Salton Seismic Imaging Project (SSIP) was undertaken to improve our knowledge of fault geometry and seismic velocities within the sedimentary basins and underlying crystalline crust around the SAF. Such data are useful as input for modeling scenarios of strong ground shaking in the surrounding high-population areas. We used pre-stack depth migration of line segments from shot gathers in several seismic profiles that were acquired in the northern part of the SSIP study area (Lines 4 - 7). Our migration approach can be considered as an infinite-frequency approximation of the Fresnel volume pre-stack depth migration method. We use line segments instead of the original waveform data. We demonstrate the method using synthetic data and analyze real data from Lines 4 - 7 to illustrate the relationship between distinct phases in the time domain and their resulting image at depth. We show both normal-moveout reflections from sub-horizontal interfaces and reverse-moveout reflections from steep interfaces, such as faults. Migrated images of dipping faults, such as the SAF and the Pinto Mountain Fault, are presented in this way. The SAF is imaged along Line 4, through the Mecca Hills, as a number of steeply dipping fault segments that collectively form a flower structure, above 5 km depth, that sole into a moderately NE-dipping fault below that depth. The individual migrated reflection packages correlate with mapped surface fault traces in the Mecca Hills. A similar geometry is seen on Line 6, from Palm Springs through Yucca Valley, where fault splays sole or project into a moderately dipping SAF below 10-km depth. We also show and discuss the reflectivity pattern of the middle and lower crust for Lines 4 - 7.

Atomistic structures of nano-engineered SiC and radiation-induced amorphization resistance

NASA Astrophysics Data System (ADS)

Imada, Kenta; Ishimaru, Manabu; Sato, Kazuhisa; Xue, Haizhou; Zhang, Yanwen; Shannon, Steven; Weber, William J.

2015-10-01

Nano-engineered 3C-SiC thin films, which possess columnar structures with high-density stacking faults and twins, were irradiated with 2 MeV Si ions at cryogenic and room temperatures. From cross-sectional transmission electron microscopy observations in combination with Monte Carlo simulations based on the Stopping and Range of Ions in Matter code, it was found that their amorphization resistance is six times greater than bulk crystalline SiC at room temperature. High-angle bright-field images taken by spherical aberration corrected scanning transmission electron microscopy revealed that the distortion of atomic configurations is localized near the stacking faults. The resultant strain field probably contributes to the enhancement of radiation tolerance of this material.

Stacking fault related luminescence in GaN nanorods.

PubMed

Forsberg, M; Serban, A; Poenaru, I; Hsiao, C-L; Junaid, M; Birch, J; Pozina, G

2015-09-04

Optical and structural properties are presented for GaN nanorods (NRs) grown in the [0001] direction on Si(111) substrates by direct-current reactive magnetron sputter epitaxy. Transmission electron microscopy (TEM) reveals clusters of dense stacking faults (SFs) regularly distributed along the c-axis. A strong emission line at ∼3.42 eV associated with the basal-plane SFs has been observed in luminescence spectra. The optical signature of SFs is stable up to room temperatures with the activation energy of ∼20 meV. Temperature-dependent time-resolved photoluminescence properties suggest that the recombination mechanism of the 3.42 eV emission can be understood in terms of multiple quantum wells self-organized along the growth axis of NRs.

Study of the specific features of single-crystal boron microstructure

NASA Astrophysics Data System (ADS)

Blagov, A. E.; Vasil'ev, A. L.; Dmitriev, V. P.; Ivanova, A. G.; Kulikov, A. G.; Marchenkov, N. V.; Popov, P. A.; Presnyakov, M. Yu.; Prosekov, P. A.; Pisarevskii, Yu. V.; Targonskii, A. V.; Chernaya, T. S.; Chernyshov, D. Yu.

2017-09-01

A complex study of the structure of β-boron single crystal grown by the floating-zone method, with sizes significantly exceeding the analogs known in the literature, has been performed. The study includes X-ray diffraction analysis and X-ray diffractometry (measurement of pole figures and rocking curves), performed on both laboratory and synchrotron sources; atomic-resolution scanning transmission electron microscopy with spherical aberration correction; and energy-dispersive microanalysis. X-ray diffraction analysis using synchrotron radiation has been used to refine the β-boron structure and find impurity Si atoms. The relative variations in the unit-cell parameters a and c for the crystal bulk are found to be δ a/ a ≈ 0.4 and δ c/ c ≈ 0.1%. X-ray diffractometry has revealed that the single-crystal growth axis coincides with the [2\\bar 2013] crystallographic axis and makes an angle of 21.12° with the [0001] threefold axis. Electron microscopy data have confirmed that the sample under study is a β-boron crystal, which may contain 0.3-0.4 at % Si as an impurity. Planar defects (stacking faults and dislocations) are found. The results of additional measurements of the temperature dependence of the thermal conductivity of the crystal in the range of 50-300 K are indicative of its high structural quality.

Structural characterization of bulk GaN crystals grown under high hydrostatic pressure

NASA Astrophysics Data System (ADS)

Liliental-Weber, Zuzanna; Kisielowski, C.; Ruvimov, S.; Chen, Y.; Washburn, J.; Grzegory, I.; Bockowski, M.; Jun, J.; Porowski, S.

1996-09-01

This paper describes TEM characterization of bulk GaN crystals grown at 1500-1800Kin the form of plates from a solution of atomic nitrogen in liquid gallium under high nitrogen pressure (up to 20 kbars). The x-ray rocking curves for these crystals were in the range of 20-30 arc-sec. The plate thickness along the c axis was about 100 times smaller than the nonpolar growth directions. A substantial difference in material quality was observed on the opposite sides of the plates normal to the c direction. On one side the surface was atomically flat, while on the other side the surface was rough, with pyramidal features up to 100 nm high. The polarity of the crystals was determined using convergent-beam electron diffraction. The results showed that, regarding the long bond between Ga and N along the c-axis, Ga atoms were found to be closer to the flat side of the crystal, while N atoms were found to be closer to the rough side. Near the rough side, within 1/10 to 1/4 of the plate thickness, there was a high density of planar defects (stacking faults and dislocation loops decorated by Ga/void precipitates). A model explaining the defect formation is proposed.

Study on Crystallographic Orientation Effect on Surface Generation of Aluminum in Nano-cutting

NASA Astrophysics Data System (ADS)

Xu, Feifei; Fang, Fengzhou; Zhu, Yuanqing; Zhang, Xiaodong

2017-04-01

The material characteristics such as size effect are one of the most important factors that could not be neglected in cutting the material at nanoscale. The effects of anisotropic nature of single crystal materials in nano-cutting are investigated employing the molecular dynamics simulation. Results show that the size effect of the plastic deformation is based on different plastic carriers, such as the twin, stacking faults, and dislocations. The minimum uncut chip thickness is dependent on cutting direction, where even a negative value is obtained when the cutting direction is {110}<001>. It also determines the material deformation and removal mechanism (e.g., shearing, extruding, and rubbing mechanism) with a decrease in uncut chip thickness. When material is deformed by shearing, the primary shearing zone expands from the stagnation point or the tip of stagnation zone. When a material is deformed by extruding and rubbing, the primary deformation zone almost parallels to the cutting direction and expands from the bottom of the cutting edge merging with the tertiary deformation zone. The generated surface quality relates to the crystallographic orientation and the minimum uncut chip thickness. The cutting directions of {110}<001>, {110}<1-10>, and {111}<1-10>, whose minimum uncut chip thickness is relatively small, have better surface qualities compared to the other cutting direction.

Influence of cutting parameters on the depth of subsurface deformed layer in nano-cutting process of single crystal copper.

PubMed

Wang, Quanlong; Bai, Qingshun; Chen, Jiaxuan; Su, Hao; Wang, Zhiguo; Xie, Wenkun

2015-12-01

Large-scale molecular dynamics simulation is performed to study the nano-cutting process of single crystal copper realized by single-point diamond cutting tool in this paper. The centro-symmetry parameter is adopted to characterize the subsurface deformed layers and the distribution and evolution of the subsurface defect structures. Three-dimensional visualization and measurement technology are used to measure the depth of the subsurface deformed layers. The influence of cutting speed, cutting depth, cutting direction, and crystallographic orientation on the depth of subsurface deformed layers is systematically investigated. The results show that a lot of defect structures are formed in the subsurface of workpiece during nano-cutting process, for instance, stair-rod dislocations, stacking fault tetrahedron, atomic clusters, vacancy defects, point defects. In the process of nano-cutting, the depth of subsurface deformed layers increases with the cutting distance at the beginning, then decreases at stable cutting process, and basically remains unchanged when the cutting distance reaches up to 24 nm. The depth of subsurface deformed layers decreases with the increase in cutting speed between 50 and 300 m/s. The depth of subsurface deformed layer increases with cutting depth, proportionally, and basically remains unchanged when the cutting depth reaches over 6 nm.

Study on Crystallographic Orientation Effect on Surface Generation of Aluminum in Nano-cutting.

PubMed

Xu, Feifei; Fang, Fengzhou; Zhu, Yuanqing; Zhang, Xiaodong

2017-12-01

The material characteristics such as size effect are one of the most important factors that could not be neglected in cutting the material at nanoscale. The effects of anisotropic nature of single crystal materials in nano-cutting are investigated employing the molecular dynamics simulation. Results show that the size effect of the plastic deformation is based on different plastic carriers, such as the twin, stacking faults, and dislocations. The minimum uncut chip thickness is dependent on cutting direction, where even a negative value is obtained when the cutting direction is {110}<001>. It also determines the material deformation and removal mechanism (e.g., shearing, extruding, and rubbing mechanism) with a decrease in uncut chip thickness. When material is deformed by shearing, the primary shearing zone expands from the stagnation point or the tip of stagnation zone. When a material is deformed by extruding and rubbing, the primary deformation zone almost parallels to the cutting direction and expands from the bottom of the cutting edge merging with the tertiary deformation zone. The generated surface quality relates to the crystallographic orientation and the minimum uncut chip thickness. The cutting directions of {110}<001>, {110}<1-10>, and {111}<1-10>, whose minimum uncut chip thickness is relatively small, have better surface qualities compared to the other cutting direction.

Oxidation of metals and alloys in controlled atmospheres using in situ transmission electron microscopy and Auger spectrography

NASA Technical Reports Server (NTRS)

Rao, D. B.; Heinemann, K.; Douglass, D. L.

1976-01-01

Single-crystalline thin films of copper were oxidized at an isothermal temperature of 425 C and at an oxygen partial pressure of .005 Torr in situ in a high-resolution electron microscope. The specimens were prepared by epitaxial vapor deposition onto polished 100 and 110 faces of rocksalt and mounted in a hot stage inside an ultra-high-vacuum specimen chamber of the microscope. Large amounts of sulfur, carbon, and oxygen were detected by Auger electron spectroscopy on the surface of the as-received films and were removed in situ by ion-sputter etching immediately prior to the oxidation. The nucleation and growth characteristics of Cu2O on Cu were studied. Results show that neither stacking faults nor dislocations are associated with the Cu2O nucleation sites. The growth of Cu2O nuclei is linear with time. The experimental findings, including results from oxygen dissolution experiments and from repetitive oxidation-reduction-oxidation sequences, fit well into the framework of an oxidation process involving (a) the formation of a surface-charge layer, (b) oxygen saturation in the metal and (c) nucleation, followed by surface diffusion of oxygen and bulk diffusion of copper for lateral and vertical oxide growth, respectively.

Electrical and structural characteristics of metamorphic In{sub 0.38}Al{sub 0.62}As/In{sub 0.37}Ga{sub 0.63}As/In{sub 0.38}Al{sub 0.62}As HEMT nanoheterostructures

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

Galiev, G. B., E-mail: s_s_e_r_p@mail.ru; Klimov, E. A.; Klochkov, A. N.

The influence of the metamorphic buffer design and epitaxial growth conditions on the electrical and structural characteristics of metamorphic In{sub 0.38}Al{sub 0.62}As/In{sub 0.37}Ga{sub 0.63}As/In{sub 0.38}Al{sub 0.62}As high electron mobility transistor (MHEMT) nanoheterostructures has been investigated. The samples were grown on GaAs(100) substrates by molecular beam epitaxy. The active regions of the nanoheterostructures are identical, while the metamorphic buffer In{sub x}Al{sub 1-x}As is formed with a linear or stepwise (by {Delta}{sub x} = 0.05) increase in the indium content over depth. It is found that MHEMT nanoheterostructures with a step metamorphic buffer have fewer defects and possess higher values of two-dimensionalmore » electron gas mobility at T = 77 K. The structures of the active region and metamorphic buffer have been thoroughly studied by transmission electron microscopy. It is shown that the relaxation of metamorphic buffer in the heterostructures under consideration is accompanied by the formation of structural defects of the following types: dislocations, microtwins, stacking faults, and wurtzite phase inclusions several nanometers in size.« less

Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches

NASA Astrophysics Data System (ADS)

Li, Ruihuan; Lu, Song; Kim, Dongyoo; Schönecker, Stephan; Zhao, Jijun; Kwon, Se Kyun; Vitos, Levente

2016-10-01

The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of precise information about it can become the limiting factor in thermodynamic predictions. Here, we differentiate between the interfacial energy for the coherent fcc(1 1 1)/hcp(0 0 0 1) interface and the ‘pseudo-interfacial energy’ that enters the thermodynamic expression for the SFE. Using first-principles calculations, we determine the coherent and pseudo-interfacial energies for six elemental metals (Al, Ni, Cu, Ag, Pt, and Au) and three paramagnetic Fe-Cr-Ni alloys. Our results show that the two interfacial energies significantly differ from each other. We observe a strong chemistry dependence for both interfacial energies. The calculated pseudo-interfacial energies for the Fe-Cr-Ni steels agree well with the available literature data. We discuss the effects of strain on the description of planar faults via thermodynamic and ab initio approaches.

Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches.

PubMed

Li, Ruihuan; Lu, Song; Kim, Dongyoo; Schönecker, Stephan; Zhao, Jijun; Kwon, Se Kyun; Vitos, Levente

2016-10-05

The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of precise information about it can become the limiting factor in thermodynamic predictions. Here, we differentiate between the interfacial energy for the coherent fcc(1 1 1)/hcp(0 0 0 1) interface and the 'pseudo-interfacial energy' that enters the thermodynamic expression for the SFE. Using first-principles calculations, we determine the coherent and pseudo-interfacial energies for six elemental metals (Al, Ni, Cu, Ag, Pt, and Au) and three paramagnetic Fe-Cr-Ni alloys. Our results show that the two interfacial energies significantly differ from each other. We observe a strong chemistry dependence for both interfacial energies. The calculated pseudo-interfacial energies for the Fe-Cr-Ni steels agree well with the available literature data. We discuss the effects of strain on the description of planar faults via thermodynamic and ab initio approaches.

Ab initio molecular dynamics simulation of the effects of stacking faults on the radiation response of 3C-SiC

PubMed Central

Jiang, M.; Peng, S. M.; Zhang, H. B.; Xu, C. H.; Xiao, H. Y.; Zhao, F. A.; Liu, Z. J.; Zu, X. T.

2016-01-01

In this study, an ab initio molecular dynamics method is employed to investigate how the existence of stacking faults (SFs) influences the response of SiC to low energy irradiation. It reveals that the C and Si atoms around the SFs are generally more difficult to be displaced than those in unfaulted SiC, and the corresponding threshold displacement energies for them are generally larger, indicative of enhanced radiation tolerance caused by the introduction of SFs, which agrees well with the recent experiment. As compared with the unfaulted state, more localized point defects are generated in faulted SiC. Also, the efficiency of damage production for Si recoils is generally higher than that of C recoils. The calculated potential energy increases for defect generation in SiC with intrinsic and extrinsic SFs are found to be higher than those in unfaulted SiC, due to the stronger screen-Coulomb interaction between the PKA and its neighbors. The presented results provide a fundamental insight into the underlying mechanism of displacement events in faulted SiC and will help to advance the understanding of the radiation response of SiC with and without SFs. PMID:26880027

Poroelastic rebound along the Landers 1992 earthquake surface rupture

USGS Publications Warehouse

Peltzer, G.; Rosen, P.; Rogez, F.; Hudnut, K.

1998-01-01

Maps of surface displacement following the 1992 Landers, California, earthquake, generated by interferometric processing of ERS-1 synthetic aperture radar (SAR) images, reveal effects of various postseismic deformation processes along the 1992 surface rupture. The large-scale pattern of the postseismic displacement field includes large lobes, mostly visible on the west side of the fault, comparable in shape with the lobes observed in the coseismic displacement field. This pattern and the steep displacement gradient observed near the Emerson-Camp Rock fault cannot be simply explained by afterslip on deep sections of the 1992 rupture. Models show that horizontal slip occurring on a buried dislocation in a Poisson's material produces a characteristic quadripole pattern in the surface displacement field with several centimeters of vertical motion at distances of 10-20 km from the fault, yet this pattern is not observed in the postseismic interferograms. As previously proposed to explain local strain in the fault step overs [Peltzer et al., 1996b], we argue that poroelastic rebound caused by pore fluid flow may also occur over greater distances from the fault, compensating the vertical ground shift produced by fault afterslip. Such a rebound is explained by the gradual change of the crustal rocks' Poisson's ratio value from undrained (coseismic) to drained (postseismic) conditions as pore pressure gradients produced by the earthquake dissipate. Using the Poisson's ratio values of 0.27 and 0.31 for the drained and undrained crustal rocks, respectively, elastic dislocation models show that the combined contributions of afterslip on deep sections of the fault and poroelastic rebound can account for the range change observed in the SAR data and the horizontal displacement measured at Global Positioning System (GPS) sites along a 60-km-long transect across the Emerson fault [Savage and Svarc, 1997]. Using a detailed surface slip distribution on the Homestead Valley, Kickapoo, and Johnson Valley faults, we modeled the poroelastic rebound in the Homestead Valley pull apart. A Poisson's ratio value of 0.35 for the undrained gouge rocks in the fault zone is required to account for the observed surface uplift in the 3.5 years following the earthquake. This large value implies a seismic velocity ratio Vp/Vs of 2.1, consistent with the observed low Vs values of fault zone guided waves at shallow depth [Li et al., 1997]. The SAR data also reveal postseismic creep along shallow patches of the Eureka Peak and Burnt Mountain faults with a characteristic decay time of 0.8 years. Coseismic, dilatant hardening (locking process) followed by post-seismic, pore pressure controlled fault creep provide a plausible mechanism to account for the decay time of the observed slip rate along this section of the fault. Copyright 1998 by the American Geophysical Union.

Diffraction Seismic Imaging of the Chalk Group Reservoir Rocks

NASA Astrophysics Data System (ADS)

Montazeri, M.; Fomel, S.; Nielsen, L.

2016-12-01

In this study we investigate seismic diffracted waves instead of seismic reflected waves, which are usually much stronger and carry most of the information regarding subsurface structures. The goal of this study is to improve imaging of small subsurface features such as faults and fractures. Moreover, we focus on the Chalk Group, which contains important groundwater resources onshore and oil and gas reservoirs in the Danish sector of the North Sea. Finding optimum seismic velocity models for the Chalk Group and estimating high-quality stacked sections with conventional processing methods are challenging tasks. Here, we try to filter out as much as possible of undesired arrivals before stacking the seismic data. Further, a plane-wave destruction method is applied on the seismic stack in order to dampen the reflection events and thereby enhance the visibility of the diffraction events. After this initial processing, we estimate the optimum migration velocity using diffraction events in order to obtain a better resolution stack. The results from this study demonstrate how diffraction imaging can be used as an additional tool for improving the images of small-scale features in the Chalk Group reservoir, in particular faults and fractures. Moreover, we discuss the potential of applying this approach in future studies focused on such reservoirs.

Atomistic structures of nano-engineered SiC and radiation-induced amorphization resistance

DOE PAGES

Imada, Kenta; Ishimaru, Manabu; Sato, Kazuhisa; ...

2015-06-18

In this paper, nano-engineered 3C–SiC thin films, which possess columnar structures with high-density stacking faults and twins, were irradiated with 2 MeV Si ions at cryogenic and room temperatures. From cross-sectional transmission electron microscopy observations in combination with Monte Carlo simulations based on the Stopping and Range of Ions in Matter code, it was found that their amorphization resistance is six times greater than bulk crystalline SiC at room temperature. High-angle bright-field images taken by spherical aberration corrected scanning transmission electron microscopy revealed that the distortion of atomic configurations is localized near the stacking faults. Finally, the resultant strain fieldmore » probably contributes to the enhancement of radiation tolerance of this material.« less

Wurtzite/zinc-blende electronic-band alignment in basal-plane stacking faults in semi-polar GaN

NASA Astrophysics Data System (ADS)

Monavarian, Morteza; Hafiz, Shopan; Izyumskaya, Natalia; Das, Saikat; Özgür, Ümit; Morkoç, Hadis; Avrutin, Vitaliy

2016-02-01

Heteroepitaxial semipolar and nonpolar GaN layers often suffer from high densities of extended defects including basal plane stacking faults (BSFs). BSFs which are considered as inclusions of cubic zinc-blende phase in wurtzite matrix act as quantum wells strongly affecting device performance. Band alignment in BSFs has been discussed as type of band alignment at the wurtzite/zinc blende interface governs the response in differential transmission; fast decay after the pulse followed by slow recovery due to spatial splitting of electrons and heavy holes for type- II band alignment in contrast to decay with no recovery in case of type I band alignment. Based on the results, band alignment is demonstrated to be of type II in zinc-blende segments in wurtzite matrix as in BSFs.

Faulting of Rocks in a Three-Dimensional Stress Field by Micro-Anticracks

PubMed Central

Ghaffari, H. O.; Nasseri, M. H. B.; Young, R. Paul

2014-01-01

Nucleation and propagation of a shear fault is known to be the result of interaction and coalescence of many microcracks. Yet the character and rate of the microcracks' interactions, and their dependence on the three-dimensional stress state are poorly understood. Here we investigate formation of microcracks during sandstone faulting under 3D-polyaxial stress fields by analyzing multi-stationary acoustic waveforms. We show that in a true three-dimensional stress state (a) faulting forms in a orthorhombic pattern, and (b) the emitted acoustic waveforms from microcracking carry a shorter rapid slip phase. The later is associated with microcracking that dominantly develops parallel to the minimum stress direction. Our results imply that due to inducing the micro-anticracks, the three-dimensional (3D) stress state can quicken dynamic weakening and rupture propagation by a factor of two relatively to simpler stress states. The results suggest a new nucleation mechanism of 3D-faulting with implications for earthquakes' instabilities, as well as the understanding of avalanches associated with dislocations. PMID:24862447

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

DOE PAGES

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

2017-01-12

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

The Design of a Fault-Tolerant COTS-Based Bus Architecture for Space Applications

NASA Technical Reports Server (NTRS)

Chau, Savio N.; Alkalai, Leon; Tai, Ann T.

2000-01-01

The high-performance, scalability and miniaturization requirements together with the power, mass and cost constraints mandate the use of commercial-off-the-shelf (COTS) components and standards in the X2000 avionics system architecture for deep-space missions. In this paper, we report our experiences and findings on the design of an IEEE 1394 compliant fault-tolerant COTS-based bus architecture. While the COTS standard IEEE 1394 adequately supports power management, high performance and scalability, its topological criteria impose restrictions on fault tolerance realization. To circumvent the difficulties, we derive a "stack-tree" topology that not only complies with the IEEE 1394 standard but also facilitates fault tolerance realization in a spaceborne system with limited dedicated resource redundancies. Moreover, by exploiting pertinent standard features of the 1394 interface which are not purposely designed for fault tolerance, we devise a comprehensive set of fault detection mechanisms to support the fault-tolerant bus architecture.

Precise tremor source locations and amplitude variations along the lower-crustal central San Andreas Fault

USGS Publications Warehouse

Shelly, David R.; Hardebeck, Jeanne L.

2010-01-01

We precisely locate 88 tremor families along the central San Andreas Fault using a 3D velocity model and numerous P and S wave arrival times estimated from seismogram stacks of up to 400 events per tremor family. Maximum tremor amplitudes vary along the fault by at least a factor of 7, with by far the strongest sources along a 25 km section of the fault southeast of Parkfield. We also identify many weaker tremor families, which have largely escaped prior detection. Together, these sources extend 150 km along the fault, beneath creeping, transitional, and locked sections of the upper crustal fault. Depths are mostly between 18 and 28 km, in the lower crust. Epicenters are concentrated within 3 km of the surface trace, implying a nearly vertical fault. A prominent gap in detectible activity is located directly beneath the region of maximum slip in the 2004 magnitude 6.0 Parkfield earthquake.

Clustering on Magnesium Surfaces – Formation and Diffusion Energies

DOE PAGES

Chu, Haijian; Huang, Hanchen; Wang, Jian

2017-07-12

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and {more » $$\\bar{1}$$011} . In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a {$$\\bar{1}$$011} , clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface {$$\\bar{1}$$011} is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich–Schwoebel barriers converge as the step height is three atomic layers or thicker. FInally, adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.« less

Clustering on Magnesium Surfaces – Formation and Diffusion Energies

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

Chu, Haijian; Huang, Hanchen; Wang, Jian

The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and {more » $$\\bar{1}$$011} . In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend the scope of the DFT studies. On a {0001} surface, a compact cluster consisting of few than three atoms energetically prefers a face-centered-cubic stacking, to serve as a nucleus of stacking fault. On a {$$\\bar{1}$$011} , clusters of any size always prefer hexagonal-close-packed stacking. Adatom diffusion on surface {$$\\bar{1}$$011} is high anisotropic while isotropic on surface (0001). Three-dimensional Ehrlich–Schwoebel barriers converge as the step height is three atomic layers or thicker. FInally, adatom diffusion along steps is via hopping mechanism, and that down steps is via exchange mechanism.« less

Structure analysis of Si(111)-7 × 7 reconstructed surface by transmission electron diffraction

NASA Astrophysics Data System (ADS)

Takayanagi, Kunio; Tanishiro, Yasumasa; Takahashi, Shigeki; Takahashi, Masaetsu

1985-12-01

The atomic structure of the 7 × 7 reconstructed Si(111) surface has been analysed by ultra-high vacuum (UHV) transmission electron diffraction (TED). A possible projected structure of the surface is deduced from the intensity distribution in TED patterns of normal electron incidence and from Patterson and Fourier syntheses of the intensities. A new three-dimensional structure model, the DAS model, is proposed: The model consists of 12 adatoms arranged locally in the 2 × 2 structure, a stacking fault layer and a layer with a vacancy at the corner and 9 dimers on the sides of each of the two triangular subcells of the 7 × 7 unit cell. The silicon layers in one subcell are stacked with the normal sequence, CcAaB + adatoms, while those in the other subcell are stacked with a faulted sequence, CcAa/C + adatoms. The model has only 19 dangling bonds, the smallest number among models so far proposed. Previously proposed models are tested quantitatively by the TED intensity. Advantages and limits of the TED analysis are discussed.

Vitesses de glissement à long terme et dislocations cosismiques caractéristiques : clés du fonctionnement des failles actives et de l'aléa sismique

NASA Astrophysics Data System (ADS)

Tapponnier, Paul; Ryerson, Frederick James; Van der Woerd, Jerome; Mériaux, Anne-Sophie; Lasserre, Cécile

2001-11-01

Over periods of thousands of years, active faults tend to slip at constant rates. Pioneer studies of large Asian faults show that cosmogenic radionuclides ( 10Be, 26Al) provide an unparalleled tool to date surface features, whose offsets yield the longest records of recent cumulative movement. The technique is thus uniquely suited to determine long-term (10-100 ka) slip rates. Such rates, combined with coseismic slip-amounts, can give access to recurrence times of earthquakes of similar sizes. Landform dating - morphochronology - is therefore essential to understand fault-behaviour, evaluate seismic hazard, and build physical earthquake models. It is irreplaceable because long-term slip-rates on interacting faults need not coincide with GPS-derived, interseismic rates, and can be difficult to obtain from paleo-seismological trenching.

Equivalent strike-slip earthquake cycles in half-space and lithosphere-asthenosphere earth models

USGS Publications Warehouse

Savage, J.C.

1990-01-01

By virtue of the images used in the dislocation solution, the deformation at the free surface produced throughout the earthquake cycle by slippage on a long strike-slip fault in an Earth model consisting of an elastic plate (lithosphere) overlying a viscoelastic half-space (asthenosphere) can be duplicated by prescribed slip on a vertical fault embedded in an elastic half-space. Inversion of 1973-1988 geodetic measurements of deformation across the segment of the San Andreas fault in the Transverse Ranges north of Los Angeles for the half-space equivalent slip distribution suggests no significant slip on the fault above 30 km and a uniform slip rate of 36 mm/yr below 30 km. One equivalent lithosphere-asthenosphere model would have a 30-km thick lithosphere and an asthenosphere relaxation time greater than 33 years, but other models are possible. -from Author

The primary creep behavior of single crystal, nickel base superalloys PWA 1480 and PWA 1484

NASA Astrophysics Data System (ADS)

Wilson, Brandon Charles

Primary creep occurring at intermediate temperatures (650°C to 850°C) and loads greater than 500 MPa has been shown to result in severe creep strain, often exceeding 5-10%, during the first few hours of creep testing. This investigation examines how the addition of rhenium and changes in aging heat treatment affect the primary creep behavior of PWA 1480 and PWA 1484. To aid in the understanding of rhenium's role in primary creep, 3wt% Re was added to PWA 1480 to create a second generation version of PWA 1480. The age heat treatments used for creep testing were either 704°C/24 hr. or 871°C/32hr. All three alloys exhibited the presence of secondary gamma' confirmed by scanning electron microscopy and local electrode atom probe techniques. These aging heat treatments resulted in the reduction of the primary creep strain produced in PWA 1484 from 24% to 16% at 704°C/862 MPa and produced a slight dependence of the tensile properties of PWA 1480 on aging heat treatment temperature. For all test temperatures, the high temperature age resulted in a significant decrease in primary creep behavior of PWA 1484 and a longer lifetime for all but the lowest test temperature. The primary creep behavior of PWA 1480 and PWA 1480+Re did not display any significant dependence on age heat treatment. The creep rupture life of PWA 1480 is greater than PWA 1484 at 704°C, but significantly shorter at 760°C and 815°C. PWA 1480+Re, however, displayed the longest lifetime of all three alloys at both 704°C and 815°C (PWA 1480+Re was not tested at 760°C). Qualitative TEM analysis revealed that PWA 1484 deformed by large dislocation "ribbons" spanning large regions of material. PWA 1480, however, deformed primarily due to matrix dislocations and the creation of interfacial dislocation networks between the gamma and gamma' phases. PWA 1480+ contained stacking faults as well, though they acted on multiple slip systems generating work hardening and forcing the onset of secondary creep. X-ray diffraction and JMatPro calculations were also used to gain insight into the cause of the differences in behaviors.

Extraction of fault component from abnormal sound in diesel engines using acoustic signals

NASA Astrophysics Data System (ADS)

Dayong, Ning; Changle, Sun; Yongjun, Gong; Zengmeng, Zhang; Jiaoyi, Hou

2016-06-01

In this paper a method for extracting fault components from abnormal acoustic signals and automatically diagnosing diesel engine faults is presented. The method named dislocation superimposed method (DSM) is based on the improved random decrement technique (IRDT), differential function (DF) and correlation analysis (CA). The aim of DSM is to linearly superpose multiple segments of abnormal acoustic signals because of the waveform similarity of faulty components. The method uses sample points at the beginning of time when abnormal sound appears as the starting position for each segment. In this study, the abnormal sound belonged to shocking faulty type; thus, the starting position searching method based on gradient variance was adopted. The coefficient of similar degree between two same sized signals is presented. By comparing with a similar degree, the extracted fault component could be judged automatically. The results show that this method is capable of accurately extracting the fault component from abnormal acoustic signals induced by faulty shocking type and the extracted component can be used to identify the fault type.

Diffusion behavior of Cu/Ta heterogeneous interface under high temperature and high strain: An atomistic investigation

NASA Astrophysics Data System (ADS)

Li, Ganglong; Wu, Houya; Luo, Honglong; Chen, Zhuo; Tay, Andrew A. O.; Zhu, Wenhui

2017-09-01

Three-dimensional (3D) integration technology using Cu interconnections has emerged as a promising solution to improve the performance of silicon microelectronic devices. However, Cu diffuses into SiO2 and requires a barrier layer such as Ta to ensure acceptable reliability. In this paper, the effects of temperature and strain normal to the interface on the inter-diffusion of Cu and Ta at annealing conditions are investigated using a molecular dynamics (MD) technique with embedded atomic method (EAM) potentials. Under thermal annealing conditions without strain, it is found that a Cu-rich diffusion region approximately 2 nm thick is formed at 1000 K after 10 ns of annealing. Ta is capable of diffusing into the interior of Cu but Cu hardly diffuses into the inner lattice of Ta. At the Cu side near the interface an amorphous structure is formed due to the process of diffusion. The diffusion activation energy of Cu and Ta are found to be 0.9769 and 0.586 eV, respectively. However, when a strain is applied, a large number of crystal defects are generated in the sample. As the strain is increased, extrinsic stacking faults (ESFs) and lots of Shockley partial dislocations appear. The density of the dislocations and the diffusion channels increase, promoting the diffusion of Cu atoms into the inner lattice of Ta. The thickness of the diffusion layer increases to 4 times the value when only a temperature load of 700 K is applied. The MD simulations demonstrated that Ta is very effective as a barrier layer under thermal loading only, and its effectiveness is impaired by tensile strain at the Cu/Ta interface. The simulations also clarified the mechanism that caused the impairment. The methodology and approach described in this paper can be followed further to study the effectiveness of barrier layers under various annealing and strain conditions, and to determine the minimum thickness of barrier layers required for a particular application.

Atomic and electronic structures of BaHfO3-doped TFA-MOD-derived YBa2Cu3O7-δ thin films

NASA Astrophysics Data System (ADS)

Molina-Luna, Leopoldo; Duerrschnabel, Michael; Turner, Stuart; Erbe, Manuela; Martinez, Gerardo T.; Van Aert, Sandra; Holzapfel, Bernhard; Van Tendeloo, Gustaaf

2015-11-01

Tailoring the properties of oxide-based nanocomposites is of great importance for a wide range of materials relevant for energy technology. YBa2Cu3O7-δ (YBCO) superconducting thin films containing nanosized BaHfO3 (BHO) particles yield a significant improvement of the magnetic flux pinning properties and a reduced anisotropy of the critical current density. These films were prepared by chemical solution deposition (CSD) on (100) SrTiO3 (STO) substrates yielding critical current densities up to 3.6 MA cm-2 at 77 K and self-field. Transport in-field J c measurements demonstrated a high pinning force maximum of around 6 GN/m3 for a sample annealed at T = 760 °C that has a doping of 12 mol% of BHO. This sample was investigated by scanning transmission electron microscopy (STEM) in combination with electron energy-loss spectroscopy (EELS) yielding strain and spectral maps. Spherical BHO nanoparticles of 15 nm in size were found in the matrix, whereas the particles at the interface were flat. A 2 nm diffusion layer containing Ti was found at the YBCO (BHO)/STO interface. Local lattice deformation mapping at the atomic scale revealed crystal defects induced by the presence of both sorts of BHO nanoparticles, which can act as pinning centers for magnetic flux lines. Two types of local lattice defects were identified and imaged: (i) misfit edge dislocations and (ii) Ba-Cu-Cu-Ba stacking faults (Y-248 intergrowths). The local electronic structure and charge transfer were probed by high energy resolution monochromated electron energy-loss spectroscopy. This technique made it possible to distinguish superconducting from non-superconducting areas in nanocomposite samples with atomic resolution in real space, allowing the identification of local pinning sites on the order of the coherence length of YBCO (˜1.5 nm) and the determination of 0.25 nm dislocation cores.

Stress distribution and mechanical properties of free and assembled Ni3Al nanoclusters

NASA Astrophysics Data System (ADS)

Zhurkin, E. E.; Hautier, G.; Hou, M.

2006-03-01

Classical molecular dynamics with a semiempirical N -body potential is used to study the distribution of local stress in bimetallic Ni3Al nanoparticles and in cluster-assembled materials. The materials considered are synthesized with these particles by low-energy deposition at 0.5eV per atom and by compaction with an external pressure of 2GPa , thus featuring different nanostructures. Both are nanoporous, the lowest density being obtained by deposition. Their mechanical response to a uniaxial external load is then studied and deformation mechanisms are identified and are found to be similar in both nanostructures. In the core of isolated clusters, the partial pressures on the nickel and aluminium subsystems are found to differ by several GPa and, as a balance to surface tension, the hydrostatic core pressure is positive and depends on the cluster size. The surface stress is tensile and, because of structural disorder, the partial pressures distributions on Ni and Al at the surface are scattered. When nanostructured systems are formed, strong and highly inhomogeneous shear stress appears, the cluster cores may become tensile, and the interfacial areas remain mainly tensile as well. The partial pressure difference between Ni and Al is somewhat reduced. It is shown that the effect of temperature is to reduce this difference still further and to homogenize the spatial stress distribution. When subjected to a uniaxial stress, both materials display an elastic and a plastic regime. The elastic limit is the lowest for the most porous material and decreases with increasing temperature. Plastic deformation is dominated by both grain boundary sliding and by the enlargement of the open volumes, without evidence for the nucleation of cracks. These open volumes are found to facilitate dislocation activity which is evidenced in grains with sizes as small as two nanometers. This dislocation activity is found to result in the production of stacking faults as well as to the recovery of defects induced by the deposition or by the compaction.

On-line experimental validation of a model-based diagnostic algorithm dedicated to a solid oxide fuel cell system

NASA Astrophysics Data System (ADS)

Polverino, Pierpaolo; Esposito, Angelo; Pianese, Cesare; Ludwig, Bastian; Iwanschitz, Boris; Mai, Andreas

2016-02-01

In the current energetic scenario, Solid Oxide Fuel Cells (SOFCs) exhibit appealing features which make them suitable for environmental-friendly power production, especially for stationary applications. An example is represented by micro-combined heat and power (μ-CHP) generation units based on SOFC stacks, which are able to produce electric and thermal power with high efficiency and low pollutant and greenhouse gases emissions. However, the main limitations to their diffusion into the mass market consist in high maintenance and production costs and short lifetime. To improve these aspects, the current research activity focuses on the development of robust and generalizable diagnostic techniques, aimed at detecting and isolating faults within the entire system (i.e. SOFC stack and balance of plant). Coupled with appropriate recovery strategies, diagnosis can prevent undesired system shutdowns during faulty conditions, with consequent lifetime increase and maintenance costs reduction. This paper deals with the on-line experimental validation of a model-based diagnostic algorithm applied to a pre-commercial SOFC system. The proposed algorithm exploits a Fault Signature Matrix based on a Fault Tree Analysis and improved through fault simulations. The algorithm is characterized on the considered system and it is validated by means of experimental induction of faulty states in controlled conditions.

Advancements in understanding the aeromagnetic expressions of basin-margin faults—An example from San Luis Basin, Colorado

USGS Publications Warehouse

Grauch, V. J.; Bedrosian, Paul A.; Drenth, Benjamin J.

2013-01-01

Herein, we summarize and expand on an investigation of the sources of aeromagnetic anomalies related to faults along the eastern margin of the San Luis Basin, northern Rio Grande Rift, Colorado (Grauch et al., 2010). Similar to the faults examined in the central Rio Grande Rift, magnetic sources can be completely explained by tectonic juxtaposition and produce multiple, vertically stacked magnetic contrasts at individual faults. However, the geologic sources are different. They arise from both the sedimentary cover and the underlying bedrock rather than from stratified sediments. In addition, geologic evidence for secondary growth or destruction of magnetic minerals at the fault zone is lacking.

High stresses stored in fault zones: example of the Nojima fault (Japan)

NASA Astrophysics Data System (ADS)

Boullier, Anne-Marie; Robach, Odile; Ildefonse, Benoît; Barou, Fabrice; Mainprice, David; Ohtani, Tomoyuki; Fujimoto, Koichiro

2018-04-01

During the last decade pulverized rocks have been described on outcrops along large active faults and attributed to damage related to a propagating seismic rupture front. Questions remain concerning the maximal lateral distance from the fault plane and maximal depth for dynamic damage to be imprinted in rocks. In order to document these questions, a representative core sample of granodiorite located 51.3 m from the Nojima fault (Japan) that was drilled after the Hyogo-ken Nanbu (Kobe) earthquake is studied by using electron backscattered diffraction (EBSD) and high-resolution X-ray Laue microdiffraction. Although located outside of the Nojima damage fault zone and macroscopically undeformed, the sample shows pervasive microfractures and local fragmentation. These features are attributed to the first stage of seismic activity along the Nojima fault characterized by laumontite as the main sealing mineral. EBSD mapping was used in order to characterize the crystallographic orientation and deformation microstructures in the sample, and X-ray microdiffraction was used to measure elastic strain and residual stresses on each point of the mapped quartz grain. Both methods give consistent results on the crystallographic orientation and show small and short wavelength misorientations associated with laumontite-sealed microfractures and alignments of tiny fluid inclusions. Deformation microstructures in quartz are symptomatic of the semi-brittle faulting regime, in which low-temperature brittle plastic deformation and stress-driven dissolution-deposition processes occur conjointly. This deformation occurred at a 3.7-11.1 km depth interval as indicated by the laumontite stability domain. Residual stresses are calculated from deviatoric elastic strain tensor measured using X-ray Laue microdiffraction using the Hooke's law. The modal value of the von Mises stress distribution is at 100 MPa and the mean at 141 MPa. Such stress values are comparable to the peak strength of a deformed granodiorite from the damage zone of the Nojima fault. This indicates that, although apparently and macroscopically undeformed, the sample is actually damaged. The homogeneously distributed microfracturing of quartz is the microscopically visible imprint of this damage and suggests that high stresses were stored in the whole sample and not only concentrated on some crystal defects. It is proposed that the high residual stresses are the sum of the stress fields associated with individual dislocations and dislocation microstructures. These stresses are interpreted to be originated from the dynamic damage related to the propagation of rupture fronts or seismic waves at a depth where confining pressure prevented pulverization. Actually, M6 to M7 earthquakes occurred during the Paleocene on the Nojima fault and are good candidates for inducing this dynamic damage. The high residual stresses and the deformation microstructures would have contributed to the widening of the damaged fault zone with additional large earthquakes occurring on the Nojima fault.

Polarization of stacking fault related luminescence in GaN nanorods

NASA Astrophysics Data System (ADS)

Pozina, G.; Forsberg, M.; Serban, E. A.; Hsiao, C.-L.; Junaid, M.; Birch, J.; Kaliteevski, M. A.

2017-01-01

Linear polarization properties of light emission are presented for GaN nanorods (NRs) grown along [0001] direction on Si(111) substrates by direct-current magnetron sputter epitaxy. The near band gap photoluminescence (PL) measured at low temperature for a single NR demonstrated an excitonic line at ˜3.48 eV and the stacking faults (SFs) related transition at ˜3.43 eV. The SF related emission is linear polarized in direction perpendicular to the NR growth axis in contrast to a non-polarized excitonic PL. The results are explained in the frame of the model describing basal plane SFs as polymorphic heterostructure of type II, where anisotropy of chemical bonds at the interfaces between zinc blende and wurtzite GaN subjected to in-built electric field is responsible for linear polarization parallel to the interface planes.

Dependences of contraction/expansion of stacking faults on temperature and current density in 4H-SiC p–i–n diodes

NASA Astrophysics Data System (ADS)

Okada, Aoi; Nishio, Johji; Iijima, Ryosuke; Ota, Chiharu; Goryu, Akihiro; Miyazato, Masaki; Ryo, Mina; Shinohe, Takashi; Miyajima, Masaaki; Kato, Tomohisa; Yonezawa, Yoshiyuki; Okumura, Hajime

2018-06-01

To investigate the mechanism of contraction/expansion behavior of Shockley stacking faults (SSFs) in 4H-SiC p–i–n diodes, the dependences of the SSF behavior on temperature and injection current density were investigated by electroluminescence image observation. We investigated the dependences of both triangle- and bar-shaped SSFs on the injection current density at four temperature levels. All SSFs in this study show similar temperature and injection current density dependences. We found that the expansion of SSFs at a high current density was converted to contraction at a certain value as the current decreased and that the value is temperature-dependent. It has been confirmed that SSF behavior, which was considered complex or peculiar, might be explained mainly by the energy change caused by SSFs.

First-principles study of the atomic and electronic properties of (1 0 0) stacking faults in BaSnO3 crystal

NASA Astrophysics Data System (ADS)

Xue, Yuanbin; Wang, Wenyuan; Guo, Yao

2018-02-01

We investigated the atomic and electronic properties of (1 0 0) stacking fault (SF) in undoped and La-doped BaSnO3 by first-principles calculations. It was found that 1/2[1 1 1] (1 0 0) SF is energetically favorable when Ba atoms occupy the interface while 1/2 (1 0 0) [1 0 1] SF becomes the most stable when the SF interface is occupied by Sn atoms. SF influences the distribution of La dopant and the electric properties of the system. In the presence of SF, electronic states near the Fermi level decrease and the bandgap expands by about 0.6 eV. Our results suggest that SF is one of the possible origins for the performance degradation.

Basic criteria for formation of growth twins in high stacking fault energy metals

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

Yu, K. Y.; Zhang, X.; Department of Mechanical Engineering, Texas A and M University, College Station, Texas 77843

Nanotwinned metals received significant interest lately as twin boundaries may enable simultaneous enhancement of strength, ductility, thermal stability, and radiation tolerance. However, nanotwins have been the privilege of metals with low-to-intermediate stacking fault energy (SFE). Recent scattered studies show that nanotwins could be introduced into high SFE metals, such as Al. In this paper, we examine several sputter-deposited, (111) textured Ag/Al, Cu/Ni, and Cu/Fe multilayers, wherein growth twins were observed in Al, Ni, and face-centered cubic (fcc) Fe. The comparisons lead to two important design criteria that dictate the introduction of growth twins in high SFE metals. The validity ofmore » these criteria was then examined in Ag/Ni multilayers. Furthermore, another twin formation mechanism in high SFE metals was discovered in Ag/Ni system.« less

I2 basal stacking fault as a degradation mechanism in reverse gate-biased AlGaN/GaN HEMTs

NASA Astrophysics Data System (ADS)

Lang, A. C.; Hart, J. L.; Wen, J. G.; Miller, D. J.; Meyer, D. J.; Taheri, M. L.

2016-09-01

Here, we present the observation of a bias-induced, degradation-enhancing defect process in plasma-assisted molecular beam epitaxy grown reverse gate-biased AlGaN/GaN high electron mobility transistors (HEMTs), which is compatible with the current theoretical framework of HEMT degradation. Specifically, we utilize both conventional transmission electron microscopy and aberration-corrected transmission electron microscopy to analyze microstructural changes in not only high strained regions in degraded AlGaN/GaN HEMTs but also the extended gate-drain access region. We find a complex defect structure containing an I2 basal stacking fault and offer a potential mechanism for device degradation based on this defect structure. This work supports the reality of multiple failure mechanisms during device operation and identifies a defect potentially involved with device degradation.

Interlayer interactions in graphites.

PubMed

Chen, Xiaobin; Tian, Fuyang; Persson, Clas; Duan, Wenhui; Chen, Nan-xian

2013-11-06

Based on ab initio calculations of both the ABC- and AB-stacked graphites, interlayer potentials (i.e., graphene-graphene interaction) are obtained as a function of the interlayer spacing using a modified Möbius inversion method, and are used to calculate basic physical properties of graphite. Excellent consistency is observed between the calculated and experimental phonon dispersions of AB-stacked graphite, showing the validity of the interlayer potentials. More importantly, layer-related properties for nonideal structures (e.g., the exfoliation energy, cleave energy, stacking fault energy, surface energy, etc.) can be easily predicted from the interlayer potentials, which promise to be extremely efficient and helpful in studying van der Waals structures.

Observations on the extended tectonic history of the southern Sierra Nevada

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

Silver, L.T.

1993-04-01

The crust of the southern Sierra Nevada has been the site of repeated major tectonic dislocations in keeping with its Mesozoic-Cenzoic positions near active plate boundaries. The several Mesozoic magmatic arc which invaded it show evidence of pre- and inter-batholithic juxtapositions of different lithospheres as far back as the Jurassic. This has been noted in mapping strontium, neodymium and lead initial ratios and [delta][sup 18]O variations. The Cretaceous arc carries isotopic zonations consistent with a major lithospheric dislocation extending SE from the Melones-Bear Mountain fault systems through the southern Sierra Nevada into the Mojave desert (restoring the Garlock fault). Thismore » is a candidate site for the postulated late Jurassic Mojave-Sonora megashear. During Cretaceous arc evolution major plate changes have taken place at [approximately]104[+-]2 ma and [approximately]80--85 ma. A broad (100( )km) wedge of accreted deepwater sediments and oceanic crust was partly subducted eastward under the Cretaceous arc, producing the Rand, Pelona, Orocopia and Chocolate Mountain schists of southern California. The southern Sierra Nevada saw the northern part of this event. The underlying subduction zone was not disrupted; arc magmatism was quickly renewed in the northern part of the wedge (Rand Mountains). Eastern underthrusting was accompanied and followed by a succession of major westward-vergent low angle faults in the interval 80--60( ) ma with net displacements well in excess of 150 km, and shallow crustal surface rotations in the southern Sierra Nevada and adjacent regions. The southern Sierra Nevada is now clearly detached from its plutonic roots by several generations of low-angle faulting.« less

A new finite element code for the study of strain-localization under strike-slip faults

NASA Astrophysics Data System (ADS)

Rodríguez-González, J.; Montesi, L.

2016-12-01

Shear localization under strike-slip faults in ductile conditions remains a matter of debate. The rheology of rocks in the ductile regime is fundamentally strain-rate hardening, which complicates the understanding of the formation of narrow shear zones. Localized shear zones are present in a variety of scales, including kilometric structures at plate boundaries. To compensate for strain-rate hardening, shear zones must be weaker than their surroundings thanks to some weakening mechanism that works at multiple length scales. Mechanisms as shear heating or grain size reduction have been invoked to explain localization of deformation, but none of these mechanisms can work in scales that range from 1 to 1000 km. Layered fabric development has been suggested as a candidate to develop localized shear zones at multiple scales. To test this hypothesis, we have developed a new software that uses the Finite Element Method library deal.II written in C++. We solve the elasticity equations for elastic and Maxwell visco-elastic mediums. A key component required to study strain localization is adaptive mesh refinement. The code automatically identifies those regions in which the deformation is being localized and will increase the resolution. We benchmark the code and test its accuracy using analytical solutions of strike-slip deformation with different boundary conditions. We simulate the instantaneous deformation caused by two kinds of dislocations: a free fault subject to a far field traction and fault with an imposed displacement. We also simulate the visco-elastic relaxation following a strike-slip dislocation. We show that deal.II is a flexible library, suitable for different problems, which will prove useful to study the mechanisms that can lead to strain localization.

Post seismic deformation associated with the 1992 Mω=7.3 Landers earthquake, southern California

USGS Publications Warehouse

Savage, J.C.; Svarc, J.L.

1997-01-01

Following the 1992 Mω=7.3 Landers earthquake, a linear array of 10 geodetic monuments at roughly 5-km spacing was established across the Emerson fault segment of the Landers rupture. The array trends perpendicular to the local strike of the fault segment and extends about 30 km on either side of it. The array was surveyed by Global Positioning System 0.034, 0.048, 0.381, 1.27, 1.88, 2.60, and 3.42 years after the Landers earthquake to measure both the spatial and temporal character of the postearthquake relaxation. The temporal behavior is described roughly by a short-term (decay time 84±23 days) exponential relaxation superimposed upon an apparently linear trend. Because the linear trend represents motions much more rapid than the observed preseismic motions, we attribute that trend to a slower (decay time greater than 5 years) postseismic relaxation, the curvature of which cannot be resolved in the short run (3.4 years) of postseismic data. About 100 mm of right-lateral displacement and 50 mm of fault-normal displacement accumulated across the geodetic array in the 3.4-year interval covered by the postseismic surveys. Those displacements are attributed to postseismic, right-lateral slip in the depth interval 10 to 30 km on the downward extension of the rupture trace. The right-lateral slip amounted to about 1 m directly beneath the geodetic array, and the fault-normal displacement is apparently primarily a consequence of the curvature of the rupture. These conclusions are based upon dislocation models fit to the observed deformation. However, no dislocation model was found with rms residuals as small as the expected observational error.

Focal mechanisms and inter-event times of low-frequency earthquakes reveal quasi-continuous deformation and triggered slow slip on the deep Alpine Fault

NASA Astrophysics Data System (ADS)

Baratin, Laura-May; Chamberlain, Calum J.; Townend, John; Savage, Martha K.

2018-02-01

Characterising the seismicity associated with slow deformation in the vicinity of the Alpine Fault may provide constraints on the stresses acting on a major transpressive margin prior to an anticipated great (≥M8) earthquake. Here, we use recently detected tremor and low-frequency earthquakes (LFEs) to examine how slow tectonic deformation is loading the Alpine Fault late in its typical ∼300-yr seismic cycle. We analyse a continuous seismic dataset recorded between 2009 and 2016 using a network of 10-13 short-period seismometers, the Southern Alps Microearthquake Borehole Array. Fourteen primary LFE templates are used in an iterative matched-filter and stacking routine, allowing the detection of similar signals corresponding to LFE families sharing common locations. This yields an 8-yr catalogue containing 10,000 LFEs that are combined for each of the 14 LFE families using phase-weighted stacking to produce signals with the highest possible signal-to-noise ratios. We show that LFEs occur almost continuously during the 8-yr study period and highlight two types of LFE distributions: (1) discrete behaviour with an inter-event time exceeding 2 min; (2) burst-like behaviour with an inter-event time below 2 min. We interpret the discrete events as small-scale frequent deformation on the deep extent of the Alpine Fault and LFE bursts (corresponding in most cases to known episodes of tremor or large regional earthquakes) as brief periods of increased slip activity indicative of slow slip. We compute improved non-linear earthquake locations using a 3-D velocity model. LFEs occur below the seismogenic zone at depths of 17-42 km, on or near the hypothesised deep extent of the Alpine Fault. The first estimates of LFE focal mechanisms associated with continental faulting, in conjunction with recurrence intervals, are consistent with quasi-continuous shear faulting on the deep extent of the Alpine Fault.

Role of low-temperature AlGaN interlayers in thick GaN on silicon by metalorganic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Fritze, S.; Drechsel, P.; Stauss, P.; Rode, P.; Markurt, T.; Schulz, T.; Albrecht, M.; Bläsing, J.; Dadgar, A.; Krost, A.

2012-06-01

Thin AlGaN interlayers have been grown into a thick GaN stack on Si substrates to compensate tensile thermal stress and significantly improve the structural perfection of the GaN. In particular, thicker interlayers reduce the density in a-type dislocations as concluded from x-ray diffraction (XRD) measurements. Beyond an interlayer thickness of 28 nm plastic substrate deformation occurs. For a thick GaN stack, the first two interlayers serve as strain engineering layers to obtain a crack-free GaN structure, while a third strongly reduces the XRD ω-(0002)-FWHM. The vertical strain and quality profile determined by several XRD methods demonstrates the individual impact of each interlayer.

Orientation and faulted structure of γ'-phases in lanthanum-alloyed Ni-Al-Cr superalloy

NASA Astrophysics Data System (ADS)

Nikonenko, Elena; Shergaeva, Lyubov'; Popova, Natalya; Koneva, Nina; Qin, Rongshan; Gromov, Victor; Fedorischeva, Marina

2017-12-01

The paper presents the transmission and the scanning electron microscope investigations of thin foils of Ni-Al-Cr-based superalloy, which is obtained by the directional crystallization technique. This superalloy contains γ'- and γ- phases. Additionally, lanthanum is introduced in the superalloy in 0.015, 0.10 and 0.30 wt % concentrations. The superalloy specimens are then subjected to 1273 K annealing during 10 and 25 h. It is shown that γ'-phase is major. In the superalloy, lanthanides La2Ni3 and Al2La are detected along with carbide La2C3 particles located on dislocations of the major phase. The amount of phases in the superalloy depends on its thermal treatment and lanthanum concentration. The investigations include the effect of annealing on scalar density of dislocations in γ'-phase. It is demonstrated that lanthanum alloying modifies the preferred orientation of γ'-phase. Annealing of lanthanum-alloyed superalloy causes the orientation dispersion. In γ'-phase, the correlation is observed between the degree of heterogeneity of solid solution and scalar dislocation density. It is shown that this heterogeneity results in the formation of high-density dislocations in γ'- phase.

Wide-angle Marine Seismic Refraction Imaging of Vertical Faults: Pre-Stack Turning Wave Migrations of Synthetic Data and Implications for Survey Design

NASA Astrophysics Data System (ADS)

Miller, N. C.; Lizarralde, D.; McGuire, J.; Hole, J. A.

2006-12-01

We consider methodologies, including survey design and processing algorithms, which are best suited to imaging vertical reflectors in oceanic crust using marine seismic techniques. The ability to image the reflectivity structure of transform faults as a function of depth, for example, may provide new insights into what controls seismicity along these plate boundaries. Turning-wave migration has been used with success to image vertical faults on land. With synthetic datasets we find that this approach has unique difficulties in the deep ocean. The fault-reflected crustal refraction phase (Pg-r) typically used in pre-stack migrations is difficult to isolate in marine seismic data. An "imagable" Pg-r is only observed in a time window between the first arrivals and arrivals from the sediments and the thick, slow water layer at offsets beyond ~25 km. Ocean- bottom seismometers (OBSs), as opposed to a long surface streamer, must be used to acquire data suitable for crustal-scale vertical imaging. The critical distance for Moho reflections (PmP) in oceanic crust is also ~25 km, thus Pg-r and PmP-r are observed with very little separation, and the fault-reflected mantle refraction (Pn-r) arrives prior to Pg-r as the observation window opens with increased OBS-to-fault distance. This situation presents difficulties for "first-arrival" based Kirchoff migration approaches and suggests that wave- equation approaches, which in theory can image all three phases simultaneously, may be more suitable for vertical imaging in oceanic crust. We will present a comparison of these approaches as applied to a synthetic dataset generated from realistic, stochastic velocity models. We will assess their suitability, the migration artifacts unique to the deep ocean, and the ideal instrument layout for such an experiment.

Defect reduction in overgrown semi-polar (11-22) GaN on a regularly arrayed micro-rod array template

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

Zhang, Y.; Bai, J.; Hou, Y.

2016-02-15

We demonstrate a great improvement in the crystal quality of our semi-polar (11-22) GaN overgrown on regularly arrayed micro-rod templates fabricated using a combination of industry-matched photolithography and dry-etching techniques. As a result of our micro-rod configuration specially designed, an intrinsic issue on the anisotropic growth rate which is a great challenge in conventional overgrowth technique for semi-polar GaN has been resolved. Transmission electron microscopy measurements show a different mechanism of defect reduction from conventional overgrowth techniques and also demonstrate major advantages of our approach. The dislocations existing in the GaN micro-rods are effectively blocked by both a SiO{sub 2}more » mask on the top of each GaN micro-rod and lateral growth along the c-direction, where the growth rate along the c-direction is faster than that along any other direction. Basal stacking faults (BSFs) are also effectively impeded, leading to a distribution of BSF-free regions periodically spaced by BSF regions along the [-1-123] direction, in which high and low BSF density areas further show a periodic distribution along the [1-100] direction. Furthermore, a defect reduction model is proposed for further improvement in the crystalline quality of overgrown (11-22) GaN on sapphire.« less

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

Rajagopal, K. R.; Rao, I. J.

The procedures in place for producing materials in order to optimize their performance with respect to creep characteristics, oxidation resistance, elevation of melting point, thermal and electrical conductivity and other thermal and electrical properties are essentially trial and error experimentation that tend to be tremendously time consuming and expensive. A computational approach has been developed that can replace the trial and error procedures in order that one can efficiently design and engineer materials based on the application in question can lead to enhanced performance of the material, significant decrease in costs and cut down the time necessary to produce suchmore » materials. The work has relevance to the design and manufacture of turbine blades operating at high operating temperature, development of armor and missiles heads; corrosion resistant tanks and containers, better conductors of electricity, and the numerous other applications that are envisaged for specially structured nanocrystalline solids. A robust thermodynamic framework is developed within which the computational approach is developed. The procedure takes into account microstructural features such as the dislocation density, lattice mismatch, stacking faults, volume fractions of inclusions, interfacial area, etc. A robust model for single crystal superalloys that takes into account the microstructure of the alloy within the context of a continuum model is developed. Having developed the model, we then implement in a computational scheme using the software ABAQUS/STANDARD. The results of the simulation are compared against experimental data in realistic geometries.« less

Characteristics of GTA fusion zones and heat affected zones in superalloy 713C

NASA Astrophysics Data System (ADS)

Lachowicz, M. B.; Dudziński, W.

2012-09-01

In this paper, metallographic examinations, characterising microstructural changes in the 713C superalloy subjected to remelting by GTA method, are presented. In the fusion zone, precipitation of M23C6 or M6C carbides based on chromium and molybdenum was observed. Eutectic mixtures of ( γ- gg')-M x C y type with highly developed morphology were also perceived. It was found that, in the matrix areas with non-homogeneous chemical composition, the eutectic reaction γ-γ' can occur at the temperature close to that of the precipitation of the M x C y carbides. The presence of silicon in the carbide phases can be conducive to lowering their solidification point by creating low-melting compound NbSi. Both in the fusion zone (FZ) and in the heat-affected zone (HAZ), the secondary precipitates of the Ni3(AlTi)- γ' phase, varying in size from 50 to 100 nm, were found. The lattice mismatch factor of the γ and γ' particles was +0.48 % to +0.71 %, which is characteristic of the coherent precipitates of the Ni3Al phase enriched with titanium. No dislocations or stacking faults were observed in the microstructure of the FZ. In the HAZ, some primary undissolved γ' precipitates, with a part of aluminium probably replaced with niobium were observed, which raised their melting point.

Brittle to Semibrittle Transition in Quartz Sandstone: Energetics

NASA Astrophysics Data System (ADS)

Kanaya, Taka; Hirth, Greg

2018-01-01

Triaxial compression experiments were conducted on a quartz sandstone at effective pressures up to 175 MPa and temperatures up to 900°C. Our experiments show a transition from brittle faulting to semibrittle faulting with an increase in both pressure and temperature. The yield behavior of samples deformed in the semibrittle regime follows a compactant elliptical cap at low strain, but evolves to a dilatant Mohr-Coulomb relationship with continued compaction. Optical microscopy indicates that semibrittle deformation involves cataclastic flow through shear-enhanced compaction and grain crushing; however, transmission electron microscopy shows evidence for dislocation glide in limited portions of samples. To constrain the relative contribution of brittle and crystal plastic mechanisms, we estimate the partitioning of the inelastic work into the dissipation energy for microcracking, intergranular frictional slip, and dislocation glide. We conclude that semibrittle deformation is accommodated primarily by cataclastic mechanisms, with only a limited contribution from crystal plasticity. Mechanical data, acoustic emission records, and analysis of surface energy all indicate the activation of subcritical cracking at elevated temperature. Hence, we infer that the enhancement of subcritical cracking is responsible for the transition to semibrittle flow through promoting distributed grain-scale fractures and millimeter-scale shear bands. Subcritical cracking promotes the nucleation of microfractures at lower stresses, and the resulting decrease in flow stress retards the propagation of transgranular microfractures. Our study illuminates the important role of temperature on the micromechanics of the transition from brittle faulting to cataclastic flow in the Earth.

Coseismic changes of gravitational potential energy induced by global earthquakes based on spherical-Earth elastic dislocation theory

NASA Astrophysics Data System (ADS)

Xu, Changyi; Chao, B. Fong

2017-05-01

We compute the coseismic gravitational potential energy Eg change using the spherical-Earth elastic dislocation theory and either the fault model treated as a point source or the finite fault model. The rate of the accumulative Eg loss produced by historical earthquakes from 1976 to 2016 (about 42,000 events) using the Global Centroid Moment Tensor Solution catalogue is estimated to be on the order of -2.1 × 1020 J/a, or -6.7 TW (1 TW = 1012 W), amounting to 15% in the total terrestrial heat flow. The energy loss is dominated by the thrust faulting, especially the megathrust earthquakes such as the 2004 Sumatra earthquake (Mw 9.0) and the 2011 Tohoku-Oki earthquake (Mw 9.1). It is notable that the very deep focus events, the 1994 Bolivia earthquake (Mw 8.2) and the 2013 Okhotsk earthquake (Mw 8.3), produced significant overall coseismic Eg gain according to our calculation. The accumulative coseismic Eg is mainly lost in the mantle of the Earth and also lost in the core of the Earth but with a relatively smaller magnitude. By contrast, the crust of the Earth gains gravitational potential energy cumulatively because of the coseismic deformations. We further investigate the tectonic signature in the coseismic crustal Eg changes in some complex tectonic zone, such as Taiwan region and the northeastern margin of the Tibetan Plateau. We found that the coseismic Eg change is consistent with the regional tectonic character.

A comparison of long-baseline strain data and fault creep records obtained near Hollister, California

USGS Publications Warehouse

Slater, L.E.; Burford, R.O.

1979-01-01

A comparison of creepmeter records from nine sites along a 12-km segment of the Calaveras fault near Hollister, California and long-baseline strain changes for nine lines in the Hollister multiwavelength distance-measuring (MWDM) array has established that episodes of large-scale deformation both preceded and accompanied periods of creep activity monitored along the fault trace during 1976. A concept of episodic, deep-seated aseismic slip that contributes to loading and subsequent aseismic failure of shallow parts of the fault plane seems attractive, implying that the character of aseismic slip sensed along the surface trace may be restricted to a relatively shallow (~ 1-km) region on the fault plane. Preliminary results from simple dislocation models designed to test the concept demonstrate that extending the time-histories and amplitudes of creep events sensed along the fault trace to depths of up to 10 km on the fault plane cannot simulate adequately the character and amplitudes of large-scale episodic movements observed at points more than 1 km from the fault. Properties of a 2-3-km-thick layer of unconsolidated sediments present in Hollister Valley, combined with an essentially rigid-block behavior in buried basement blocks, might be employed in the formulation of more appropriate models that could predict patterns of shallow fault creep and large-scale displacements much more like those actually observed. ?? 1979.

Interseismic secular deformation in Southern California from InSAR-derived maps over the time period between 1992 and 2006

NASA Astrophysics Data System (ADS)

Rivet, D. N.; Fialko, Y.

2007-12-01

We analyzed secular deformation in Southern California using an extensive catalog of InSAR data that spans 15 years between 1992 and 2006. We generated a map of the satellite line-of-sight displacements based on a stack of ~300 interferograms from 6 adjacent tracks of the ERS-1 and ERS-2 satellites covering Southern California. The main limitation to the accuracy of InSAR measurements of tectonic deformation is the atmospheric phase delay. We introduce a new method aimed to improve the signal-to-noise ratio in the InSAR- derived maps of secular deformation. The method involves identifying SAR acquisitions that are highly affected by atmospheric noise, and an optimal choice of interferometric pairs for stacking. We begin by generating a set of all possible interferometric pairs having baselines and time spans within prescribed limits. We then select interferograms with sufficiently high correlation. Subsequently, we identify noisy SAR acquisitions by means of calculating RMS of the phase signal. Finally, we generate a stack of interferograms by following a "connectivity tree" that minimizes contributions of noisy scenes. Using this method we obtained a continuous velocity field characterizing surface deformation in Southern California over the last 15 years. We identify interseismic deformation on a number of major faults, including those of the southern San Andreas system, and the Eastern California Shear Zone (ECSZ). We study the time dependency from 1992 to 2006 of those deformation patterns. Variations in the line-of- sight velocity across the Eastern California Shear Zone are non-monotonic, with the maximum along the strike of the Hector Mine fault of ~4 mm/yr, and total LOS velocity between the eastern and western boundaries of the shear zone of less than 2 mm/yr. We observe increases in the radar range to the east of ECSZ. This signal most likely results from subsidence east of the Death Valley-Mule Springs fault system, either due to hydrologic effects, or dip-slip tectonics. No resolvable interseismic deformation is detected across the Garlock fault. The Blackwater fault is associated with line-of-sight velocity of 2 mm/yr. By combining data from the ascending and descending satellite orbits, we infer that most of that strain is associated with the differential vertical motion across the fault (east side up), so that the accelerated strike-slip motion on the deep extension of the Blackwater fault is not required.

Effect of spacer layer thickness on structural and optical properties of multi-stack InAs/GaAsSb quantum dots

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

Kim, Yeongho; Ban, Keun-Yong, E-mail: kban1@asu.edu; Honsberg, Christiana B.

2015-10-26

The structural and optical properties of ten-stack InAs/GaAsSb quantum dots (QDs) with different spacer layer thicknesses (d{sub s} = 2, 5, 10, and 15 nm) are reported. X-ray diffraction analysis reveals that the strain relaxation of the GaAsSb spacers increases linearly from 0% to 67% with larger d{sub s} due to higher elastic stress between the spacer and GaAs matrix. In addition, the dislocation density in the spacers with d{sub s} = 10 nm is lowest as a result of reduced residual strain. The photoluminescence peak energy from the QDs does not change monotonically with increasing d{sub s} due to the competing effects of decreased compressivemore » strain and weak electronic coupling of stacked QD layers. The QD structure with d{sub s} = 10 nm is demonstrated to have improved luminescence properties and higher carrier thermal stability.« less

Molecular dynamics simulation of the plastic behavior anisotropy of shock-compressed monocrystal nickel

NASA Astrophysics Data System (ADS)

Chen, Ya-Zhou; Zhou, Liu-Cheng; He, Wei-Feng; Sun, Yu; Li, Ying-Hong; Jiao, Yang; Luo, Si-Hai

2017-01-01

Molecular dynamics simulations were used to study the plastic behavior of monocrystalline nickel under shock compression along the [100] and [110] orientations. The shock Hugoniot relation, local stress curve, and process of microstructure development were determined. Results showed the apparent anisotropic behavior of monocrystalline nickel under shock compression. The separation of elastic and plastic waves was also obvious. Plastic deformation was more severely altered along the [110] direction than the [100] direction. The main microstructure phase transformed from face-centered cubic to body-centered cubic and generated a large-scale and low-density stacking fault along the family of { 111 } crystal planes under shock compression along the [100] direction. By contrast, the main mechanism of plastic deformation in the [110] direction was the nucleation of the hexagonal, close-packed phase, which generated a high density of stacking faults along the [110] and [1̅10] directions.

Charge optimized many-body potential for aluminum.

PubMed

Choudhary, Kamal; Liang, Tao; Chernatynskiy, Aleksandr; Lu, Zizhe; Goyal, Anuj; Phillpot, Simon R; Sinnott, Susan B

2015-01-14

An interatomic potential for Al is developed within the third generation of the charge optimized many-body (COMB3) formalism. The database used for the parameterization of the potential consists of experimental data and the results of first-principles and quantum chemical calculations. The potential exhibits reasonable agreement with cohesive energy, lattice parameters, elastic constants, bulk and shear modulus, surface energies, stacking fault energies, point defect formation energies, and the phase order of metallic Al from experiments and density functional theory. In addition, the predicted phonon dispersion is in good agreement with the experimental data and first-principles calculations. Importantly for the prediction of the mechanical behavior, the unstable stacking fault energetics along the [Formula: see text] direction on the (1 1 1) plane are similar to those obtained from first-principles calculations. The polycrsytal when strained shows responses that are physical and the overall behavior is consistent with experimental observations.

First principles pseudopotential calculation of electron energy loss near edge structures of lattice imperfections.

PubMed

Mizoguchi, Teruyasu; Matsunaga, Katsuyuki; Tochigi, Eita; Ikuhara, Yuichi

2012-01-01

Theoretical calculations of electron energy loss near edge structures (ELNES) of lattice imperfections, particularly a Ni(111)/ZrO₂(111) heterointerface and an Al₂O₃ stacking fault on the {1100} plane, are performed using a first principles pseudopotential method. The present calculation can qualitatively reproduce spectral features as well as chemical shifts in experiment by employing a special pseudopotential designed for the excited atom with a core-hole. From the calculation, spectral changes observed in O-K ELNES from a Ni/ZrO₂ interface can be attributable to interfacial oxygen-Ni interactions. In the O-K ELNES of Al₂O₃ stacking faults, theoretical calculation suggests that the spectral feature reflects coordination environment and chemical bonding. Powerful combinations of ELNES with a pseudopotential method used to investigate the atomic and electronic structures of lattice imperfections are demonstrated. Copyright © 2011 Elsevier Ltd. All rights reserved.

Atomistic Origin of Deformation Twinning in Biomineral Aragonite.

PubMed

Liu, Jialin; Huang, Zaiwang; Pan, Zhiliang; Wei, Qiuming; Li, Xiaodong; Qi, Yue

2017-03-10

Deformation twinning rarely occurs in mineral materials which typically show brittle fracture. Surprisingly, it has recently been observed in the biomineral aragonite phase in nacre under high rate impact loading. In this Letter, the twinning tendency and the competition between fracture and deformation twinning were revealed by first principles calculations. The ratio of the unstable stacking fault energy and the stacking fault energy in orthorhombic aragonite is hitherto the highest in a broad range of metallic and oxide materials. The underlining physics for this high ratio is the multineighbor shared ionic bonds and the unique relaxation process during sliding in the aragonite structure. Overall, the unique deformation twining along with other highly coordinated deformation mechanisms synergistically work in the hierarchical structure of nacre, leading to the remarkable strengthening and toughening of nacre upon dynamic loading, and thus protecting the mother-of-pearl from predatory attacks.

Synthesis and microstructure of electrodeposited and sputtered nanotwinned face-centered-cubic metals

DOE PAGES

Bufford, Daniel C.; Wang, Morris; Liu, Yue; ...

2016-04-01

The remarkable properties of nanotwinned (NT) face-centered-cubic (fcc) metals arise directly from twin boundaries, the structures of which can be initially determined by growth twinning during the deposition process. When we understand the synthesis process and its relation to the resulting microstructure, and ultimately to material properties, we realize how key it is to understanding and utilizing these materials. Furthermore, our article presents recent studies on electrodeposition and sputtering methods that produce a high density of nanoscale growth twins in fcc metals. Nanoscale growth twins tend to form spontaneously in monolithic and alloyed fcc metals with lower stacking-fault energies, whilemore » engineered approaches are necessary for fcc metals with higher stacking-fault energies. Finally, growth defects and other microstructural features that influence nanotwin behavior and stability are introduced here, and future challenges in fabricating NT materials are highlighted.« less

Stacking fault energies of face-centered cubic concentrated solid solution alloys

DOE PAGES

Zhao, Shijun; Stocks, G. Malcolm; Zhang, Yanwen

2017-06-22

We report the stacking fault energy (SFE) for a series of face-centered cubic (fcc) equiatomic concentrated solid solution alloys (CSAs) derived as subsystems from the NiCoFeCrMn and NiCoFeCrPd high entropy alloys based on ab initio calculations. At low temperatures, these CSAs display very low even negative SFEs, indicating that hexagonal close-pack ( hcp) is more energy favorable than fcc structure. The temperature dependence of SFE for some CSAs is studied. With increasing temperature, a hcp-to- fcc transition is revealed for those CSAs with negative SFEs, which can be attributed to the role of intrinsic vibrational entropy. The analysis of themore » vibrational modes suggests that the vibrational entropy arises from the high frequency states in the hcp structure that originate from local vibrational mode. Furthermore, our results underscore the importance of vibrational entropy in determining the temperature dependence of SFE for CSAs.« less