Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Dislocation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Evolution of dislocation loops and voids in post-irradiation annealed ThO 2 : A combined in-situ TEM and cluster dynamics investigation

The effect of isochronal annealing on the evolution of dislocation loop and void population in proton irradiated ThO 2 has been investigated. Post-irradiation annealing in other actinide oxides like UO 2 shows significant loop coarsening. ThO 2 samples were irradiated with 2 MeV protons up to a dose of 0.1 dpa at 600°C. Post-irradiation isochronal annealing was performed at 600, 800, 1000 and 1100°C for 1 h at each temperature using in-situ TEM. Only faulted 1/3<111> type dislocation loops were observed, and their sizes and distribution were characterized. Further, the population of self-interstitial atom (SIA) dislocation loops did not show any significant growth and coarsening. Additionally, nanometric voids were observed at annealing temperatures of 1000 and 1100°C. Using cluster dynamics (CD), we have studied the nucleation and growth of point defects and defect clusters, i.e., SIA prismatic dislocation loops and nanometric and sub-nanometric voids in proton irradiated ThO 2 . The CD model was further utilized to predict the growth and coarsening of loops and voids during isochronal annealing at the experimental and higher temperatures. The model did not predict significant SIA loop growth which closely corresponds to the TEM observations. CD predicted SIA loop coarsening is insignificant even at high annealing temperature of 1500°C because the model only considers the growth of defect clusters by absorption of like point defects, i.e., SIA loops absorb interstitials and voids absorb vacancies, and cannot account for their migration and coalescence due to elastic interaction. The CD model also predicts the evolution of nanometric voids having mean size within the error bounds of TEM observations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Relationship between dislocations and residual stresses in cold-drawn pearlitic steel analyzed by energy-dispersive X-ray diffraction

We analyzed the dislocation distribution of cold-drawn pearlitic-steel wire by using the line-profile analysis based on the energy dispersive X-ray diffraction (EDXD). Although this line-profile analysis requires a high resolution in reciprocal space, the resolution for EDXD is generally poor due to the energy resolution of the detector. Our analysis demonstrated that the resolution in the reciprocal space can be maximized at small scattering angles. Using the line-profile analysis based on the EDXD, the microstructural parameters such as the crystallite size and the dislocation density of the ferrite phase in the pearlitic steel were successfully analyzed. In addition, the distribution of the residual stress of the ferrite phase of a pearlitic steel wire was also analyzed using the EDXD measurement. - Highlights: • Energy dispersive X-ray diffraction is applied to the line-profile analysis. • Distribution of dislocations in ferrite in the pearlitic steel wire is analyzed. • Relationship between dislocations and residual stress is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The inhibiting effect of dislocation helices on the stress-induced orientation of S' precipitates in Al–Cu–Mg alloy

The phenomenon of restrained stress-induced preferential orientation of S′ precipitates is investigated using a single-crystal of Al–1.23Cu–0.43 Mg alloy. Al–1.23Cu–0.43 Mg single-crystal specimens are subjected to stress aging, and the microstructure is analyzed by transmission electron microscopy (TEM). It is found that the stress-induced preferential orientation of S′ precipitates is restrained owing to the dislocations produced by a higher stress. The effect of dislocations on the oriented precipitates depends on the total length of the intersection lines for precipitate habit planes and dislocation glide planes. This investigation not only provides important insight into solving the anisotropy problem attributed to precipitation strengthening, but also offers a benchmark for choosing the appropriate stress range in manufacturing of Al–Cu–Mg alloys. - Highlights: • Single crystals of an Al–Cu–Mg alloy were prepared for the investigations. • A phenomenon of restrained stress-induced preferential orientation of S′ precipitates was found. • The influence of dislocation helices on precipitation during stress-aging was studied. • Difference of orientation degree of S′ precipitates and θ′ precipitates was explained. • A basis for choosing the appropriate stress range in manufacturing of Al–Cu–Mg alloys is provided.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bicrystallography-informed Frenkel–Kontorova model for interlayer dislocations in strained 2D heterostructures

In recent years, van der Waals (vdW) heterostructures and homostructures, which consist of stacks of two-dimensional (2D) materials, have risen to prominence due to their association with exotic quantum phenomena originating from correlated electronic states harbored by them. Atomistic scale relaxation effects play an extremely important role in the electronic scale quantum physics of these systems, providing means of manipulation of these materials and allowing them to be tailored for emergent technologies. We investigate such structural relaxation effects in this work using atomistic and mesoscale models, within the context of twisted bilayer graphene — a well-known heterostructure system that features moiré patterns arising from the lattices of the two graphene layers. For small twist angles, atomic relaxation effects in this system are associated with the natural emergence of interface dislocations or strain solitons, which result from the cyclic nature of the generalized stacking fault energy (GSFE), that measures the interface energy based on the relative movement of the two layers. Here, in this work, we first demonstrate using atomistic simulations that atomic reconstruction in bilayer graphene under a large twist also results from interface dislocations, although the Burgers vectors of such dislocations are considerably smaller than those observed in small-twist systems. To reveal the translational invariance of the heterointerface responsible for the formation of such dislocations, we derive the translational symmetry of the GSFE of a 2D heterostructure using the notions of coincident site lattices (CSLs) and displacement shift complete lattices (DSCLs). The workhorse for this exercise is a recently developed Smith normal form bicrystallography framework. Next, we construct a bicrystallography-informed and frame-invariant Frenkel–Kontorova model, which can predict the formation of strain solitons in arbitrary 2D heterostructures, and apply it to study a heterostrained, large-twist bilayer graphene system. Our mesoscale model is found to produce results consistent with atomistic simulations. We anticipate that the model will be invaluable in predicting structural relaxation and for providing insights into various heterostructure systems, especially in cases where the fundamental unit cell is large and therefore, atomistic simulations are computationally expensive.

2D heterostructures↗
DOE OSTI2019

Evolution of cellular dislocation structures and defects in additively manufactured austenitic stainless steel under ion irradiation

Here, the evolution of irradiation-induced defects in additively manufactured (AM) austenitic stainless steel was explored in situ by 1 MeV Kr ion irradiation at 450 and 600 °C in a transmission electron microscope. Cellular dislocation structure in AM steel act as sink/trap sites for the irradiation-induced defects, resulting in the lower density and smaller dislocation loops in AM steel than conventional forged (CF) steel at 450 °C. The higher stacking fault energy and local stress concentration induced by cellular dislocation structure in AM steel promotes the unfaulting process and the formation of network dislocation at 600 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Towards bend-contour-free dislocation imaging via diffraction contrast STEM

Dislocation imaging using transmission electron microscopy (TEM) has been an invaluable tool for characterizing crystallographic defects in metals. Compared to conventional TEM imaging, diffraction contrast imaging scanning transmission electron microscopy (DCI STEM) with appropriate setting can provide better defect contrast with almost negligible bend contour artifacts, enabling more effective analysis of dislocation structures. Here, we investigated why STEM can suppresses bend contour, and how dislocation contrast behaves along with different STEM imaging parameters. Using a body-centered cubic HT-9 ferritic/martensitic alloy as an example, a simple procedure and operational theory are described at the beginning to help set up DCI STEM experiments. Comparing with conventional TEM and the STEM strictly complying with the principle of reciprocity, we found that a pair of STEM convergence and collection semi-angles, α S and β S , a few milliradians in size is essential for bend-contour-free defect imaging. It works in concert such that the convergence STEM probe opens up the reciprocal space, and then a comparable collection region evens out the rocking-curve oscillation and alleviates bend contours from the reciprocal space. This fundamental advantage is unique in DCI STEM. Practical guidelines regarding STEM parameters and specimen orientation and thickness are then provided for DCI STEM dislocation imaging. Lastly, we show that coupling DCI STEM with spectrum images of electron energy loss spectroscopy and of energy-dispersive X-ray Spectroscopy offers a comprehensive characterization of crystallographic defects and chemical information of complex microstructures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Dual Phase Synergy Enabled Large Elastic Strains of Nanoinclusions in a Dislocation Slip Matrix Composite

Freestanding nanomaterials (such as nanowires, nanoribbons and nanotubes) are known to exhibit ultra-large elastic strains and ultra-high strengths. However, harnessing their superior intrinsic mechanical properties in bulk composites has proven to be difficult. A recent breakthrough has overcome this difficulty by using a martensitic phase transforming matrix, in which ultra-large elastic strains approaching the theoretical limit is achieved in Nb nanowires embedded in the matrix. This discovery, whereas breaking a long-standing challenge, still limits our ability of harnessing the exceptional properties of nanomaterials and developing ultrahigh strength bulk materials to a narrow selection of phase transforming alloy matrices. In this study, we investigated the possibility to harness the intrinsic mechanical properties of nanoinclusions in conventional dislocation slip matrix based on a principle of synergy between the inclusion and the matrix. The small spacing between the densely populated hard and dislocation-impenetrable nanoinclusions departmentalize the plastic matrix into small domains to effectively impede dislocation motion within the matrix, inducing significant strengthening and large local elastic strains of the matrix, which in turn induced large elastic strains in the nanoinclusions. This dual phase synergy is verified in a Ti 3 Sn inclusions/B2-NiTi(Fe) plastic matrix model materials system. The maximum elastic strain of Ti 3 Sn inclusion obtained in the dislocation slip matrix is comparable to that achieved in a phase transforming matrix. As a result, this finding opens new opportunities for the development of high-strength nanocomposites.

42 ENGINEERING↗
DOE OSTI2012

Formation of ordered one-dimensional microstructures of dislocations in near-surface layer of semiconductor, under laser radiation with microstructured distribution of intensity

The paper presents the results of investigation the process of formation of the ordered microstructures of dislocations in the near-surface layer a single-crystal plate of silicon under the action of pulsed laser radiation with microstructured distribution intensity. It has been found that generation of the ordered one-dimensional microstructures of dislocations takes place. The period of these ordered microstructures is d{approx_equal}3 divide 4 {mu}m. A combination of one-dimensional structures of dislocations produces ordered two-dimensional structure of dislocations.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Correlation between threading dislocation density and sheet resistance of AlGaN/AlN/GaN heterostructures grown by plasma-assisted molecular beam epitaxy

AlGaN/AlN/GaN heterostructures were grown on 6H-SiC, GaN-on-sapphire, and free-standing GaN, resulting in heterostructures with threading dislocation densities of {approx}2 Multiplication-Sign 10{sup 10}, {approx}5 Multiplication-Sign 10{sup 8}, and {approx}5 Multiplication-Sign 10{sup 7} cm{sup -2}, respectively. Growths were carried out under Ga-rich conditions by plasma-assisted molecular beam epitaxy to determine the influence of threading dislocation density on the sheet resistance of AlGaN/AlN/GaN heterostructures. High threading dislocation density was observed to significantly degrade Hall mobility. An AlGaN/AlN/GaN heterostructure with a {approx}2 nm AlN interlayer and a threading dislocation density of {approx}5 Multiplication-Sign 10{sup 7} cm{sup -2} achieved the very low room temperature sheet resistance of 175 {Omega}/{open_square}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

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

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. In 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.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Anisotropic scattering effect of the inclined misfit dislocation on the two-dimensional electron gas in Al(In)GaN/GaN heterostructures

In this paper, a theory is developed to study the anisotropic scattering effect of the inclined misfit dislocation on the two-dimensional electron gas in Al(In)GaN/GaN heterostructures. The inclined misfit dislocation, which differs from the well-known vertical threading dislocation, has a remarkable tilt angle from the vertical. The predicted electron mobility shows a remarkable anisotropy. It has a maximum mobility value along the direction perpendicular to the projection of the inclined dislocation line, and a minimum mobility value along the direction parallel to the projection. The degree of the anisotropic scattering effect will be even greater with the increase of the tilt angle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Materials properties and dislocation dynamics in InAsP compositionally graded buffers on InP substrates

The properties of InAs{sub x}P{sub 1−x} compositionally graded buffers grown by metal organic chemical vapor deposition are investigated. We report the effects of strain gradient (ε/thickness), growth temperature, and strain initiation sequence (gradual or abrupt strain introduction) on threading dislocation density, surface roughness, epi-layer relaxation, and tilt. We find that gradual introduction of strain causes increased dislocation densities (>10{sup 6}/cm{sup 2}) and tilt of the epi-layer (>0.1°). A method of abrupt strain initiation is proposed which can result in dislocation densities as low as 1.01 × 10{sup 5} cm{sup −2} for films graded from the InP lattice constant to InAs{sub 0.15}P{sub 0.85}. A model for a two-energy level dislocation nucleation system is proposed based on our results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Rapid misfit dislocation characterization in heteroepitaxial III-V/Si thin films by electron channeling contrast imaging

Electron channeling contrast imaging (ECCI) is used to characterize misfit dislocations in heteroepitaxial layers of GaP grown on Si(100) substrates. Electron channeling patterns serve as a guide to tilt and rotate sample orientation so that imaging can occur under specific diffraction conditions. This leads to the selective contrast of misfit dislocations depending on imaging conditions, confirmed by dynamical simulations, similar to using standard invisibility criteria in transmission electron microscopy (TEM). The onset and evolution of misfit dislocations in GaP films with varying thicknesses (30 to 250 nm) are studied. This application simultaneously reveals interesting information about misfit dislocations in GaP/Si layers and demonstrates a specific measurement for which ECCI is preferable versus traditional plan-view TEM.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Stochastic dislocation kinetics and fractal structures in deforming metals probed by acoustic emission and surface topography measurements

We demonstrate that the fractal dimension (FD) of the dislocation population in a deforming material is an important quantitative characteristic of the evolution of the dislocation structure. Thus, we show that peaking of FD signifies a nearing loss of uniformity of plastic flow and the onset of strain localization. Two techniques were employed to determine FD: (i) inspection of surface morphology of the deforming crystal by white light interferometry and (ii) monitoring of acoustic emission (AE) during uniaxial tensile deformation. A connection between the AE characteristics and the fractal dimension determined from surface topography measurements was established. As a common platform for the two methods, the dislocation density evolution in the bulk was used. The relations found made it possible to identify the occurrence of a peak in the median frequency of AE as a harbinger of plastic instability leading to necking. It is suggested that access to the fractal dimension provided by AE measurements and by surface topography analysis makes these techniques important tools for monitoring the evolution of the dislocation structure during plastic deformation—both as stand-alone methods and especially when used in tandem.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Synchrotron radiation x-ray topography and defect selective etching analysis of threading dislocations in GaN

The crystal quality of bulk GaN crystals is continuously improving due to advances in GaN growth techniques. Defect characterization of the GaN substrates by conventional methods is impeded by the very low dislocation density and a large scale defect analysis method is needed. White beam synchrotron radiation x-ray topography (SR-XRT) is a rapid and non-destructive technique for dislocation analysis on a large scale. In this study, the defect structure of an ammonothermal c-plane GaN substrate was recorded using SR-XRT and the image contrast caused by the dislocation induced microstrain was simulated. The simulations and experimental observations agree excellently and the SR-XRT image contrasts of mixed and screw dislocations were determined. Apart from a few exceptions, defect selective etching measurements were shown to correspond one to one with the SR-XRT results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

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

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

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Core structures analyses of (a+c)-edge dislocations in wurtzite GaN through atomistic simulations and Peierls–Nabarro model

The core structures and slip characteristics of (a+c)-edge dislocations on pyramidal planes in wurtzite GaN were investigated employing molecular dynamics simulations. Multiple stable core configurations are identified for dislocations along the glide and shuffle planes. The corresponding generalized-stacking-fault energy (GSFE) curves for the glide and shuffle slips are calculated. The GSFE curves, combined with the Peierls–Nabarro model, demonstrate that the shuffle slip is favored over the glide slip given the markedly lower Peierls energy and stress of the shuffle slip. Our findings also indicate that in general slip motions for (a+c)-edge dislocations are only possible at elevated temperature, and the necessity of further studies of thermally activated processes to better understand the dynamics of (a+c) dislocations in GaN.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Mobility of edge dislocations in stressed iron crystals during irradiation

The behavior of a/2(111)(110) edge dislocations in iron in shear loading and irradiation conditions was studied by means of molecular dynamics simulation. Edge dislocations were exposed to shock waves formed by atomic displacement cascades of different energies. It was shown that starting from a certain threshold amplitude shock waves cause displacement of edge dislocations in the loaded samples. Calculations showed that the larger the shear load and the amplitude of the shock wave, the greater the displacement of dislocations in the crystallite.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗