Dust evolution, a global view: II. Top-down branching, nanoparticle fragmentation and the mystery of the diffuse interstellar band carriers

NASA Astrophysics Data System (ADS)

Jones, A. P.

2016-12-01

The origin of the diffuse interstellar bands (DIBs), one of the longest-standing mysteries of the interstellar medium (ISM), is explored within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS). The likely nature of the DIB carriers and their evolution is here explored within the framework of the structures and sub-structures inherent to doped hydrogenated amorphous carbon grains in the ISM. Based on the natural aromatic-rich moieties (asphaltenes) recovered from coal and oil, the likely structure of their interstellar analogues is investigated within the context of the diffuse band problem. It is here proposed that the top-down evolution of interstellar carbonaceous grains, and, in particular, a-C(:H) nanoparticles, is at the heart of the formation and evolution of the DIB carriers and their associations with small molecules and radicals, such as C2, C3, CH and CN. It is most probable that the DIBs are carried by dehydrogenated, ionized, hetero-cyclic, olefinic and aromatic-rich moieties that form an integral part of the contiguous structure of hetero-atom-doped hydrogenated amorphous carbon nanoparticles and their daughter fragmentation products. Within this framework, it is proposed that polyene structures in all their variants could be viable DIB carrier candidates.

The microstructural evolution, crystallography, and thermal processing of ultrahigh carbon Fe-1.85 pct C melt-spun ribbon

NASA Technical Reports Server (NTRS)

Spanos, G.; Ayers, J. D.; Vold, C. L.; Locci, I. E.

1993-01-01

A study is presented to determine if fine microstructures could be achieved using rapid solidification to produce a fine-grained fully austenitic starting structure and then using thermal processing cycles to produce an even finer ferrite-cementite structure. The evolution, mechanisms of grain refinement, and crystallography of the resultant microstructures were examined by TEM. A thermal processing cycle consisted of quenching the ribbon in liquid nitrogen, tempering at 600 C for 10 sec, 'upquenching' to 750 C for 10 sec, and subsequently quenching again in liquid nitrogen. The heat-treatment resulted in martensite grains with sizes of about 1 micron or less in both length and thickness and cementite particles of 0.4 micron or less. It is concluded that these microstructures could be used for producing fine-grained ultrahigh carbon steels of very high strength without the brittleness associated with the formation of coarse carbide particles of the loss of strength due to graphite formation.

Microstructural characteristics of adiabatic shear localization in a metastable beta titanium alloy deformed at high strain rate and elevated temperatures

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

Zhan, Hongyi, E-mail: h.zhan@uq.edu.au; Zeng, Weidong; Wang, Gui

2015-04-15

The microstructural evolution and grain refinement within adiabatic shear bands in the Ti6554 alloy deformed at high strain rates and elevated temperatures have been characterized using transmission electron microscopy. No stress drops were observed in the corresponding stress–strain curve, indicating that the initiation of adiabatic shear bands does not lead to the loss of load capacity for the Ti6554 alloy. The outer region of the shear bands mainly consists of cell structures bounded by dislocation clusters. Equiaxed subgrains in the core area of the shear band can be evolved from the subdivision of cell structures or reconstruction and transverse segmentationmore » of dislocation clusters. It is proposed that dislocation activity dominates the grain refinement process. The rotational recrystallization mechanism may operate as the kinetic requirements for it are fulfilled. The coexistence of different substructures across the shear bands implies that the microstructural evolution inside the shear bands is not homogeneous and different grain refinement mechanisms may operate simultaneously to refine the structure. - Graphical abstract: Display Omitted - Highlights: • The microstructure within the adiabatic shear band was characterized by TEM. • No stress drops were observed in the corresponding stress–strain curve. • Dislocation activity dominated the grain refinement process. • The kinetic requirements for rotational recrystallization mechanism were fulfilled. • Different grain refinement mechanisms operated simultaneously to refine the structure.« less

Matrix description of the complete topology of three-dimensional cells

PubMed Central

Xue, Weihua; Wang, Hao; Liu, Guoquan; Meng, Li; Xiang, Song; Ma, Guang; Li, Wenwen

2016-01-01

A new, efficient method based on a series of matrices is introduced to completely describe the detailed topology of individual domains and their topology evolution in three-dimensional cellular structures. With this approach, we found a lot of new topological grain forms which are never reported before, i.e., there are total 8 and 32 topological forms for 7- and 8-faced grains respectively, other than the reported 7 and 27. This method is proved to be a practical tool to predict all possible grain forms efficiently. Moreover, a connectivity index of grain forms serves as a new convenient differentiator of different multicellular structures. PMID:27160500

Structure and dynamics of Ebola virus matrix protein VP40 by a coarse-grained Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Pandey, Ras; Farmer, Barry

Ebola virus matrix protein VP40 (consisting of 326 residues) plays a critical role in viral assembly and its functions such as regulation of viral transcription, packaging, and budding of mature virions into the plasma membrane of infected cells. How does the protein VP40 go through structural evolution during the viral life cycle remains an open question? Using a coarse-grained Monte Carlo simulation we investigate the structural evolution of VP40 as a function of temperature with the input of a knowledge-based residue-residue interaction. A number local and global physical quantities (e.g. mobility profile, contact map, radius of gyration, structure factor) are analyzed with our large-scale simulations. Our preliminary data show that the structure of the protein evolves through different state with well-defined morphologies which can be identified and quantified via a detailed analysis of structure factor.

Early Stages of Microstructure and Texture Evolution during Beta Annealing of Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Pilchak, A. L.; Sargent, G. A.; Semiatin, S. L.

2018-03-01

The early stages of microstructure evolution during annealing of Ti-6Al-4V in the beta phase field were established. For this purpose, a series of short-time heat treatments was performed using sheet samples that had a noticeable degree of alpha-phase microtexture in the as-received condition. Reconstruction of the beta-grain structure from electron-backscatter-diffraction measurements of the room-temperature alpha-phase texture revealed that microstructure evolution at short times was controlled not by general grain growth, but rather by nucleation-and-growth events analogous to discontinuous recrystallization. The nuclei comprised a small subset of beta grains that were highly misoriented relative to those comprising the principal texture component of the beta matrix. From a quantitative standpoint, the transformation kinetics were characterized by an Avrami exponent of approximately unity, thus suggestive of metadynamic recrystallization. The recrystallization process led to the weakening and eventual elimination of the initial beta texture through the growth of a population of highly misoriented grains.

Force-chain evolution in a two-dimensional granular packing compacted by vertical tappings

NASA Astrophysics Data System (ADS)

Iikawa, Naoki; Bandi, M. M.; Katsuragi, Hiroaki

2018-03-01

We experimentally study the statistics of force-chain evolution in a vertically-tapped two-dimensional granular packing by using photoelastic disks. In this experiment, the tapped granular packing is gradually compacted. During the compaction, the isotropy of grain configurations is quantified by measuring the deviator anisotropy derived from fabric tensor, and then the evolution of force-chain structure is quantified by measuring the interparticle forces and force-chain orientational order parameter. As packing fraction increases, the interparticle force increases and finally saturates to an asymptotic value. Moreover, the grain configurations and force-chain structures become isotropically random as the tapping-induced compaction proceeds. In contrast, the total length of force chains remains unchanged. From the correlations of those parameters, we find two relations: (i) a positive correlation between the isotropy of grain configurations and the disordering of force-chain orientations, and (ii) a negative correlation between the increasing of interparticle forces and the disordering of force-chain orientations. These relations are universally held regardless of the mode of particle motions with or without convection.

A comparison of EBSD based strain indicators for the study of Fe-3Si steel subjected to cyclic loading

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

Schayes, Claire; Valeo Engine Electrical Systems, 2 Rue André Boulle, 94046 Créteil; Bouquerel, Jérémie, E-mail: jeremie.bouquerel@univ-lille1.fr

The current work aims at proposing an EBSD-based indicator for fatigue damage of a Fe-3Si steel. At the same time direct observation of dislocation structures is provided by electron channelling contrast imaging (ECCI). The investigation consisted in processing the EBSD data from patterns collected on specimen subjected to low cycle fatigue. It revealed two different regimes depending on the applied total strain variation which is explained by the identification of the dislocations structures and their evolution. At low strain variation, strain accommodation occurs by planar glide of dislocations uniformly distributed throughout the grains. No misorientation evolution is observed. At highermore » strain variation, the vein-channel structure is observed within the grain and the wall-channel structure in the vicinity of grain boundaries. The misorientation between these two dislocation structures is evaluated at about 0.7° which is detected by the EBSD analyses and explains the increase of the different misorientation based criteria. The EBSD study enables also the prediction of crack initiation mode. Finally, this study points out the limits of the EBSD technique as no misorientation evolution is detected at small strain variation. Indeed, the lattice distortion is too weak to be detected by conventional EBSD. - Highlights: • Microstructure investigation of the fatigue behaviour of an iron-silicon steel • Use of cECCI to investigate the fatigue dislocations structures • Characterisation of local plastic accommodation through EBSD misorientation criteria.« less

Understanding multi-scale structural evolution in granular systems through gMEMS

NASA Astrophysics Data System (ADS)

Walker, David M.; Tordesillas, Antoinette

2013-06-01

We show how the rheological response of a material to applied loads can be systematically coded, analyzed and succinctly summarized, according to an individual grain's property (e.g. kinematics). Individual grains are considered as their own smart sensor akin to microelectromechanical systems (e.g. gyroscopes, accelerometers), each capable of recognizing their evolving role within self-organizing building block structures (e.g. contact cycles and force chains). A symbolic time series is used to represent their participation in such self-assembled building blocks and a complex network summarizing their interrelationship with other grains is constructed. In particular, relationships between grain time series are determined according to the information theory Hamming distance or the metric Euclidean distance. We then use topological distance to find network communities enabling groups of grains at remote physical metric distances in the material to share a classification. In essence grains with similar structural and functional roles at different scales are identified together. This taxonomy distills the dissipative structural rearrangements of grains down to its essential features and thus provides pointers for objective physics-based internal variable formalisms used in the construction of robust predictive continuum models.

Reverse-transformation austenite structure control with micro/nanometer size

NASA Astrophysics Data System (ADS)

Wu, Hui-bin; Niu, Gang; Wu, Feng-juan; Tang, Di

2017-05-01

To control the reverse-transformation austenite structure through manipulation of the micro/nanometer grain structure, the influences of cold deformation and annealing parameters on the microstructure evolution and mechanical properties of 316L austenitic stainless steel were investigated. The samples were first cold-rolled, and then samples deformed to different extents were annealed at different temperatures. The microstructure evolutions were analyzed by optical microscopy, scanning electron microscopy (SEM), magnetic measurements, and X-ray diffraction (XRD); the mechanical properties are also determined by tensile tests. The results showed that the fraction of stain-induced martensite was approximately 72% in the 90% cold-rolled steel. The micro/nanometric microstructure was obtained after reversion annealing at 820-870°C for 60 s. Nearly 100% reversed austenite was obtained in samples annealed at 850°C, where grains with a diameter ≤ 500 nm accounted for 30% and those with a diameter > 0.5 μm accounted for 70%. The micro/nanometer-grain steel exhibited not only a high strength level (approximately 959 MPa) but also a desirable elongation of approximately 45%.

Charging of Aggregate Grains in Astrophysical Environments

NASA Astrophysics Data System (ADS)

Ma, Qianyu; Matthews, Lorin S.; Land, Victor; Hyde, Truell W.

2013-02-01

The charging of dust grains in astrophysical environments has been investigated with the assumption that these grains are homogeneous spheres. However, there is evidence which suggests that many grains in astrophysical environments are irregularly shaped aggregates. Recent studies have shown that aggregates acquire higher charge-to-mass ratios due to their complex structures, which in turn may alter their subsequent dynamics and evolution. In this paper, the charging of aggregates is examined including secondary electron emission and photoemission in addition to primary plasma currents. The results show that the equilibrium charge on aggregates can differ markedly from spherical grains with the same mass, but that the charge can be estimated for a given environment based on structural characteristics of the grain. The "small particle effect" due to secondary electron emission is also important for de terming the charge of micron-sized aggregates consisting of nano-sized particles.

Microstructure evolution and texture development of hot form-quench (HFQ) AZ31 twin roll cast (TRC) magnesium alloy

NASA Astrophysics Data System (ADS)

Alias, J.; Zhou, X.; Das, Sanjeev; El-Fakir, Omer; Thompson, G. E.

2017-12-01

The present study on the microstructure evolution of hot form-quench (HFQ) AZ31 twin roll cast magnesium alloy attempt to provide an understanding on the grain structure and heterogeneous intermetallic phase formation in the alloy and texture development following the HFQ process. Grain recrystallization and partial dissolution of eutectic β-Mg17Al12 phase particles were occurred during the solution heat treatment at 450°C, leaving the alloy consists of recrystallized grains and discontinuous or random β-Mg17Al12 phase particles distribution with small volume fraction. The particles act as effective nucleation sites for new grains during recrystallization and variation of recrystallization occurrence contributed to texture alteration. The partial or full β-Mg17Al12 phase dissolution following the HFQ induces void formation that act as fracture nucleation site and the corresponding texture alteration in the recrystallized grains led to poor formability in TRC alloy.

Surface damage and structure evolution of recrystallized tungsten exposed to ELM-like transient loads

NASA Astrophysics Data System (ADS)

Yuan, Y.; Du, J.; Wirtz, M.; Luo, G.-N.; Lu, G.-H.; Liu, W.

2016-03-01

Surface damage and structure evolution of the full tungsten ITER divertor under transient heat loads is a key concern for component lifetime and plasma operations. Recrystallization caused by transients and steady-state heat loads can lead to degradation of the material properties and is therefore one of the most serious issues for tungsten armor. In order to investigate the thermal response of the recrystallized tungsten under edge localized mode-like transient thermal loads, fully recrystallized tungsten samples with different average grain sizes are exposed to cyclic thermal shocks in the electron beam facility JUDITH 1. The results indicate that not only does the microstructure change due to recrystallization, but that the surface residual stress induced by mechanical polishing strongly influences the surface cracking behavior. The stress-free surface prepared by electro-polishing is shown to be more resistant to cracking than the mechanically polished one. The resulting surface roughness depends largely on the loading conditions instead of the recrystallized-grain size. As the base temperature increases from room temperature to 400 °C, surface roughening mainly due to the shear bands in each grain becomes more pronounced, and sub-grains (up to 3 μm) are simultaneously formed in the sub-surface. The directions of the shear bands exhibit strong grain-orientation dependence, and they are generally aligned with the traces of {1 1 2} twin habit planes. The results suggest that twinning deformation and dynamic recrystallization represent the predominant mechanism for surface roughening and related microstructure evolution.

The Evolution of Dust in the Multiphase Interstellar Medium

NASA Technical Reports Server (NTRS)

Oliversen, Ronald J. (Technical Monitor); Slavin, Jonathan

2003-01-01

Interstellar dust has a profound effect on the structure and evolution of the interstellar medium (ISM) and on the processes by which stars form from it. Dust obscures regions of star formation from view, and the uncertain quantities of elements in dust makes it difficult to measure accurately the abundances of the elements in low density regions. Despite the central importance of dust in astrophysics, we cannot answer some of the most basic questions about it: Why is it that most of the refractory elements are in dust grains? What determines the sizes of interstellar grains? It has been the goal of our proposed theoretical investigations to address these questions by studying the destruction of interstellar grains, and to develop observational diagnostics that can test the models we develop.

Effect of the Size of Al3(Sc,Zr) Precipitates on the Structure of Multi-Directionally Isothermally Forged Al-Mg-Sc-Zr Alloy

NASA Astrophysics Data System (ADS)

Sitdikov, O. Sh.; Avtokratova, E. V.; Mukhametdinova, O. E.; Garipova, R. N.; Markushev, M. V.

2017-12-01

The effect of Al3(Sc,Zr) dispersoids on the evolution of the cast Al-Mg-Sc-Zr alloy structure under multi-directional isothermal forging (MIF) has been investigated. The alloy, which has an equiaxed grain structure with a grain size of 25 μm and contains dispersoids 5-10 and 20-50 nm in size after onestage (at 360°C for 6 h) and two-stage (360°C for 6 h + 520°C for 1 h) annealing, respectively, was deformed at 325°C ( 0.65 T m) up to cumulative strains of e = 8.4. In the initial stages of MIF, new fine (sub)grains surrounded by low-angle and high-angle boundaries (HABs) were formed near the initial grain boundaries. With increasing strain, the volume fraction and misorientation of these crystallites increased, which led to the replacement of a coarse-grained structure with a fine-grained one with a grain size of 1.5-2.0 μm. Dynamic recrystallization occurred in accordance to a continuous mechanism and was controlled by the interaction of lattice dislocations and/or (sub)grain boundaries with dispersoids that effectively inhibited the migration of boundaries, as well as the rearrangement of lattice dislocations and their annihilation. The particle size and the density of their distribution significantly affected the parameters of the evolved structure; in an alloy with smaller particles, a structure with a smaller grain size and a larger HAB fraction developed.

Fluffy dust forms icy planetesimals by static compression

NASA Astrophysics Data System (ADS)

Kataoka, Akimasa; Tanaka, Hidekazu; Okuzumi, Satoshi; Wada, Koji

2013-09-01

Context. Several barriers have been proposed in planetesimal formation theory: bouncing, fragmentation, and radial drift problems. Understanding the structure evolution of dust aggregates is a key in planetesimal formation. Dust grains become fluffy by coagulation in protoplanetary disks. However, once they are fluffy, they are not sufficiently compressed by collisional compression to form compact planetesimals. Aims: We aim to reveal the pathway of dust structure evolution from dust grains to compact planetesimals. Methods: Using the compressive strength formula, we analytically investigate how fluffy dust aggregates are compressed by static compression due to ram pressure of the disk gas and self-gravity of the aggregates in protoplanetary disks. Results: We reveal the pathway of the porosity evolution from dust grains via fluffy aggregates to form planetesimals, circumventing the barriers in planetesimal formation. The aggregates are compressed by the disk gas to a density of 10-3 g/cm3 in coagulation, which is more compact than is the case with collisional compression. Then, they are compressed more by self-gravity to 10-1 g/cm3 when the radius is 10 km. Although the gas compression decelerates the growth, the aggregates grow rapidly enough to avoid the radial drift barrier when the orbital radius is ≲6 AU in a typical disk. Conclusions: We propose a fluffy dust growth scenario from grains to planetesimals. It enables icy planetesimal formation in a wide range beyond the snowline in protoplanetary disks. This result proposes a concrete initial condition of planetesimals for the later stages of the planet formation.

Retaining {1 0 0} texture from initial columnar grains in 6.5 wt% Si electrical steels

NASA Astrophysics Data System (ADS)

Liang, Ruiyang; Yang, Ping; Mao, Weimin

2017-11-01

6.5 wt% Si electrical steel is a superior soft magnetic material with excellent magnetic properties which highly depends on texture. In this study, based on the heredity of 〈0 0 1〉 orientation in columnar grains, columnar grains are used as the initial material to prepare non-oriented 6.5 wt% Si electrical steel with excellent magnetic properties. EBSD and XRD techniques are adopted to explore the structure and texture evolution during hot rolling, warm rolling, cold rolling and annealing. The results show that, due to the heredity of "structure and texture" from the initial strong {1 0 0} columnar grains, annealed sheet with {1 0 0}〈0 0 1〉 texture had better magnetic properties, which can be used as non-oriented high-silicon electrical steel. Both preferred cube grain nucleation in deformed {1 1 3}〈3 6 1〉 grains in subsurface and coarse {1 0 0}〈0 0 1〉 deformed grains in center layer show the effect of initial columnar grains with {1 0 0} texture.

EBSD Study on Grain Boundary and Microtexture Evolutions During Friction Stir Processing of A413 Cast Aluminum Alloy

NASA Astrophysics Data System (ADS)

Shamanian, Morteza; Mostaan, Hossein; Safari, Mehdi; Szpunar, Jerzy A.

2016-07-01

The as-cast Al alloys contain heterogeneous distributions of non-deforming particles due to non-equilibrium solidification effects. Therefore, these alloys have poor tribological and mechanical behaviors. It is well known that using friction stir processing (FSP), very fine microstructure is created in the as-cast Al alloys, while their wear resistance can be improved. In this research work, FSP is used to locally refine a surface layer of the coarse as-cast microstructure of cast A413 Al alloy. The main objective of this study is to investigate the effect of FSP on microstructure and microtexture evolutions in A413 cast Al alloy. The grain boundary character distribution, grain structure, and microtexture evolutions in as-cast and friction stir processed A413 Al alloy are analyzed by electron back scatter diffraction technique. It is found that with the FSP, the fraction of low ∑boundary such as ∑3, 7, and 9 are increased. The obtained results show that there are no deformation texture components in the structure of friction stir processed samples. However, some of the main recrystallization texture components such as BR and cubeND are formed during FSP which indicate the occurrence of dynamic recrystallization phenomenon due to the severe plastic deformation induced by the rotation of tool.

Microstructure evolution in the fusion zone of laser-welded Mg–Gd–Y–Zr alloy during solution and aging treatment

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

Wang, Lyuyuan

The microstructure evolution in the fusion zone of laser-welded Mg-Gd-Y-Zr alloy during solution and aging treatment is investigated. The morphology of the Mg{sub 24}(Gd,Y){sub 5} in the divorced eutectic at the grain boundary transforms from a continuous network to disconnected and fragmentized islands and then to spheroidal particles before complete dissolution during the solution treatment at 430 °C. During the subsequent aging treatment at 225 °C, the precipitation sequence in the fusion zone follows the order of supersaturated solid solution (SSSS) → βʺ(D0{sub 19}) → βʹ(cbco) → β{sub 1}(fcc) → β(fcc). High-density precipitates are present at the original grain boundariesmore » of the fusion zone from the welded structure but there are less precipitates in the interior of the original grains. The grain growth during the solution treatment at 430 °C comprises the slowly increasing stage, rapidly increasing stage, and stable stage. The network-distributed Mg{sub 24}(Gd,Y){sub 5} impedes migration of the grain boundaries, restricts grain growth in the first slowly increasing stage, and segregation of zirconium near the grain boundaries also affects migration of the grain boundaries. - Highlights: •Different quantities of precipitates are present at different location of grain. •The network-distributed Mg{sub 24}(Gd,Y){sub 5} restricts grain growth. •Segregation of Zr affects migration of grain boundaries.« less

Ba isotopic compositions in stardust SiC grains from the Murchison meteorite: Insights into the stellar origins of large SiC grains

NASA Astrophysics Data System (ADS)

Ávila, Janaína N.; Ireland, Trevor R.; Gyngard, Frank; Zinner, Ernst; Mallmann, Guilherme; Lugaro, Maria; Holden, Peter; Amari, Sachiko

2013-11-01

We report barium isotopic measurements in 12 large (7-58 μm) stardust silicon carbide grains recovered from the Murchison carbonaceous chondrite. The C-, N-, and Si-isotopic compositions indicate that all 12 grains belong to the mainstream population and, as such, are interpreted to have condensed in the outflows of low-mass carbon-rich asymptotic giant branch (AGB) stars with close-to-solar metallicity. Barium isotopic analyses were carried out on the Sensitive High Resolution Ion Microprobe - Reverse Geometry (SHRIMP-RG) with combined high mass resolution and energy filtering to eliminate isobaric interferences from molecular ions. Contrary to previous measurements in small (<5 μm) mainstream grains, the analyzed large SiC grains do not show the classical s-process enrichment, having near solar Ba isotopic compositions. While contamination with solar material is a common explanation for the lack of large isotopic anomalies in stardust SiC grains, particularly for these large grains which have low trace element abundances, our results are consistent with previous observations that Ba isotopic ratios are dependent on grain size. We have compared the SiC data with theoretical predictions of the evolution of Ba isotopic ratios in the envelopes of low-mass AGB stars with a range of stellar masses and metallicities. The Ba isotopic measurements obtained for large SiC grains from the LS + LU fractions are consistent with grain condensation in the envelope of very low-mass AGB stars (1.25 M⊙) with close-to-solar metallicity, which suggests that conditions for growth of large SiC might be more favorable in very low-mass AGB stars during the early C-rich stages of AGB evolution or in stable structures around AGB stars whose evolution was cut short due to binary interaction, before the AGB envelope had already been largely enriched with the products of s-process nucleosynthesis.

The global evolution of the primordial solar nebula

NASA Technical Reports Server (NTRS)

Ruden, S. P.; Lin, D. N. C.

1986-01-01

Complete radial, time-dependent calculations of the structure and evolution of the primordial solar nebula during the viscous diffusion stage are presented. The viscous stress is derived from analytic one-zone models of the vertical nebular structure based on detailed grain opacities. Comparisons with full numerical integrations indicate that the effective viscous alpha parameter is about 0.01. The evolution time of a minimum mass nebula is one-million yr or less. The flow pattern of fluid elements in the disk is examined and the implications the results have on the theory of the formation of the solar system are discussed.

Structure Evolution and Distributions of Grain-Boundary Misorientainons in Submicrocrystalline Molybdenum Irradiated with a Pulsed Electron Beam

NASA Astrophysics Data System (ADS)

Stepanova, E. N.; Grabovetskaya, G. P.; Teresov, A. D.; Mishin, I. P.

2018-05-01

Using the methods of electron backscatter diffraction, electron microscopy and X-ray diffraction analysis, it is demonstrated that irradiation of the surface of a submicrocrystalline molybdenum specimen with a pulsed electron beam in a non-melt regime results in the formation of a gradient structure in its bulk. The irradiation temperature is shown to affect the density of defects, the value of stress, and the distributions of grain-boundary misorientations in the surface and bulk of the submicrocrystalline molybdenum specimens.

The importance of grain size to mantle dynamics and seismological observations

NASA Astrophysics Data System (ADS)

Gassmoeller, R.; Dannberg, J.; Eilon, Z.; Faul, U.; Moulik, P.; Myhill, R.

2017-12-01

Grain size plays a key role in controlling the mechanical properties of the Earth's mantle, affecting both long-timescale flow patterns and anelasticity on the timescales of seismic wave propagation. However, dynamic models of Earth's convecting mantle usually implement flow laws with constant grain size, stress-independent viscosity, and a limited treatment of changes in mineral assemblage. We study grain size evolution, its interplay with stress and strain rate in the convecting mantle, and its influence on seismic velocities and attenuation. Our geodynamic models include the simultaneous and competing effects of dynamic recrystallization resulting from dislocation creep, grain growth in multiphase assemblages, and recrystallization at phase transitions. They show that grain size evolution drastically affects the dynamics of mantle convection and the rheology of the mantle, leading to lateral viscosity variations of six orders of magnitude due to grain size alone, and controlling the shape of upwellings and downwellings. Using laboratory-derived scaling relationships, we convert model output to seismologically-observable parameters (velocity, attenuation) facilitating comparison to Earth structure. Reproducing the fundamental features of the Earth's attenuation profile requires reduced activation volume and relaxed shear moduli in the lower mantle compared to the upper mantle, in agreement with geodynamic constraints. Faster lower mantle grain growth yields best fit to seismic observations, consistent with our re-examination of high pressure grain growth parameters. We also show that ignoring grain size in interpretations of seismic anomalies may underestimate the Earth's true temperature variations.

Origin of a needle-like granular structure for ultrananocrystalline diamond films grown in a N2/CH4 plasma

NASA Astrophysics Data System (ADS)

Sankaran, K. J.; Kurian, J.; Chen, H. C.; Dong, C. L.; Y Lee, C.; Tai, N. H.; Lin, I. N.

2012-09-01

Microstructural evolution as a function of substrate temperature (TS) for conducting ultrananocrystalline diamond (UNCD) films is systematically studied. Variation of the sp2 graphitic and sp3 diamond content with TS in the films is analysed from the Raman and near-edge x-ray absorption fine structure spectra. Morphological and microstructural studies confirm that at TS = 700 °C well-defined acicular structures evolve. These nanowire structures comprise sp3 phased diamond, encased in a sheath of sp2 bonded graphitic phase. TS causes a change in morphology and thereby the various properties of the films. For TS = 800 °C the acicular grain growth ceases, while that for TS = 700 °C ceases only upon termination of the deposition process. The grain-growth process for the unique needle-like granular structure is proposed such that the CN species invariably occupy the tip of the nanowire, promoting an anisotropic grain-growth process and the formation of acicular structure of the grains. The electron field emission studies substantiate that the films grown at TS = 700 °C are the most conducting, with conduction mediated through the graphitic phase present in the films.

The Prediction of Microstructure Evolution of 6005A Aluminum Alloy in a P-ECAP Extrusion Study

NASA Astrophysics Data System (ADS)

Lei, Shi; Jiu-Ba, Wen; Chang, Ren

2018-05-01

Finite element modeling (FEM) was applied for predicting the recrystallized structure in extruded 6005 aluminum alloy, and simulated results were experimentally validated. First, microstructure evolution of 6005 aluminum alloy during deformation was studied by means of isothermal compression test, where the processing parameters were chosen to reproduce the typical industrial conditions. Second, microstructure evolution was analyzed, and the obtained information was used to fit a dynamic recrystallization model implementing inside the DEFORM-3D FEM code environment. FEM of deformation of 6005 aluminum has been established and validated by microstructure comparison. Finally, the obtained dynamic recrystallization model was applied to tube extrusion by using a portholes-equal channel angular pressing die. The finite element analysis results showed that coarse DRX grains occur in the extruded tube at higher temperature and in the extruded tube at the faster speed of the stem. The test results showed material from the front end of the extruded tube has coarse grains (60 μm) and other extruded tube has finer grains (20 μm).

The Prediction of Microstructure Evolution of 6005A Aluminum Alloy in a P-ECAP Extrusion Study

NASA Astrophysics Data System (ADS)

Lei, Shi; Jiu-Ba, Wen; Chang, Ren

2018-04-01

Finite element modeling (FEM) was applied for predicting the recrystallized structure in extruded 6005 aluminum alloy, and simulated results were experimentally validated. First, microstructure evolution of 6005 aluminum alloy during deformation was studied by means of isothermal compression test, where the processing parameters were chosen to reproduce the typical industrial conditions. Second, microstructure evolution was analyzed, and the obtained information was used to fit a dynamic recrystallization model implementing inside the DEFORM-3D FEM code environment. FEM of deformation of 6005 aluminum has been established and validated by microstructure comparison. Finally, the obtained dynamic recrystallization model was applied to tube extrusion by using a portholes-equal channel angular pressing die. The finite element analysis results showed that coarse DRX grains occur in the extruded tube at higher temperature and in the extruded tube at the faster speed of the stem. The test results showed material from the front end of the extruded tube has coarse grains (60 μm) and other extruded tube has finer grains (20 μm).

Evolution of microstructural disorder in annealed bismuth telluride nanowires

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

Erickson, Kristopher J.; Limmer, Steven J.; Yelton, W. Graham

Controlling the distribution of structural defects in nanostructures is important since such defects can strongly affect critical properties, including thermal and electronic transport. However, characterizing the defect arrangements in individual nanostructures is difficult because of the small length scales involved. Here, we investigate the evolution of microstructural disorder with annealing in electrochemically deposited Bi2Te3 nanowires, which are of interest for thermoelectrics. We combine Convergent Beam Electron Diffraction (CBED) and Scanning Transmission Electron Microscopy (STEM) to provide the necessary spatial and orientational resolution. We find that despite their large initial grain sizes and strong Formula crystallographic texturing, the as-deposited nanowires stillmore » exhibit significant intragranular orientational disorder. Annealing drives both grain growth and a significant reduction in the intragranular disorder. The results are discussed in the context of the existing understanding of the initial microstructure of electrodeposited materials and the understanding of annealing microstructures in both electrochemically deposited and bulk-deformed materials. Finally, this analysis highlights the importance of assessing both the grain size and intragranular disorder in understanding the microstructural evolution of individual nanostructures.« less

Evolution of microstructural disorder in annealed bismuth telluride nanowires

DOE PAGES

Erickson, Kristopher J.; Limmer, Steven J.; Yelton, W. Graham; ...

2017-03-01

Controlling the distribution of structural defects in nanostructures is important since such defects can strongly affect critical properties, including thermal and electronic transport. However, characterizing the defect arrangements in individual nanostructures is difficult because of the small length scales involved. Here, we investigate the evolution of microstructural disorder with annealing in electrochemically deposited Bi2Te3 nanowires, which are of interest for thermoelectrics. We combine Convergent Beam Electron Diffraction (CBED) and Scanning Transmission Electron Microscopy (STEM) to provide the necessary spatial and orientational resolution. We find that despite their large initial grain sizes and strong Formula crystallographic texturing, the as-deposited nanowires stillmore » exhibit significant intragranular orientational disorder. Annealing drives both grain growth and a significant reduction in the intragranular disorder. The results are discussed in the context of the existing understanding of the initial microstructure of electrodeposited materials and the understanding of annealing microstructures in both electrochemically deposited and bulk-deformed materials. Finally, this analysis highlights the importance of assessing both the grain size and intragranular disorder in understanding the microstructural evolution of individual nanostructures.« 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

Astrophysical dust grains in stars, the interstellar medium, and the solar system

NASA Technical Reports Server (NTRS)

Gehrz, Robert D.

1991-01-01

Studies of astrophysical dust grains in circumstellar shells, the interstellar medium, and the solar system may provide information about stellar evolution and about physical conditions in the primitive solar nebula. The following subject areas are covered: (1) the cycling of dust in stellar evolution and the formation of planetary systems; (2) astrophysical dust grains in circumstellar environments; (3) circumstellar grain formation and mass loss; (4) interstellar dust grains; (5) comet dust and the zodiacal cloud; (6) the survival of dust grains during stellar evolution; and (7) establishing connections between stardust and dust in the solar system.

In-situ synchrotron micro-diffraction study of surface, interface, grain structure, and strain/stress evolution during Sn whisker/hillock formation

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

Pei, Fei; Jadhav, Nitin; Buchovecky, Eric

2016-03-14

We have performed X-ray synchrotron micro-diffraction measurements to study the processes controlling the formation of hillocks and whiskers in Sn layers on Cu. The studies were done in real-time on Sn layers that were electro-deposited immediately before the X-ray measurements were started. This enabled a region of the sample to be monitored from the as-deposited state until after a hillock feature formed. In addition to measuring the grain orientation and deviatoric strain (via Laue diffraction), the X-ray fluorescence was monitored to quantify the evolution of the Sn surface morphology and the formation of intermetallic compound (IMC) at the Sn-Cu interface.more » The results capture the simultaneous growth of the feature and the corresponding film stress, grain orientation, and IMC formation. The observations are compared with proposed mechanisms for whisker/hillock growth and nucleation.« less

Microstructure evolution and dislocation behaviour in high chromium, fully ferritic steels strengthened by intermetallic Laves phases.

PubMed

Lopez Barrilao, Jennifer; Kuhn, Bernd; Wessel, Egbert

2018-05-01

In the present study a stainless, high strength, ferritic (non-martensitic) steel was analysed regarding microstructure and particle evolution. The preceding hot-rolling process of the steel results in the formation of sub-grain structures, which disappear over time at high temperature. Besides that the formation of particle-free zones was observed. The pronounced formation of these zones preferentially appears close to high angle grain boundaries and is considered to be responsible for long-term material failure under creep conditions. The reasons for this are lacking particle hardening and thus a concentration and accumulation of deformation in the particle free areas close to the grain boundaries. Accordingly in-depth investigations were performed by electron microscopy to analyse dislocation behaviour and its possible effect on the mechanical response of these weak areas. Copyright © 2018 Elsevier Ltd. All rights reserved.

Grain-Size Dynamics Beneath Mid-Ocean Ridges: Implications for Permeability and Melt Extraction

NASA Astrophysics Data System (ADS)

Turner, A. J.; Katz, R. F.; Behn, M. D.

2014-12-01

The permeability structure of the sub-ridge mantle plays an important role in how melt is focused and extracted at mid-ocean ridges. Permeability is controlled by porosity and the grain size of the solid mantle matrix, which is in turn controlled by the deformation conditions. To date, models of grain size evolution and mantle deformation have not been coupled to determine the influence of spatial variations in grain-size on the permeability structure at mid-ocean ridges. Rather, current models typically assume a constant grain size for the whole domain [1]. Here, we use 2-D numerical models to evaluate the influence of grain-size variability on the permeability structure beneath a mid-ocean ridge and use these results to speculate on the consequences for melt focusing and extraction. We construct a two-dimensional, single phase model for the steady-state grain size beneath a mid-ocean ridge. The model employs a composite rheology of diffusion creep, dislocation creep, dislocation accommodated grain boundary sliding, and a brittle stress limiter. Grain size is calculated using the "wattmeter" model of Austin and Evans [2]. We investigate the sensitivity of the model to global variations in grain growth exponent, potential temperature, spreading-rate, and grain boundary sliding parameters [3,4]. Our model predicts that permeability varies by two orders of magnitude due to the spatial variability of grain size within the expected melt region of a mid-ocean ridge. The predicted permeability structure suggests grain size may promote focusing of melt towards the ridge axis. Furthermore, the calculated grain size structure should focus melt from a greater depth than models that exclude grain-size variability. Future work will involve evaluating this hypothesis by implementing grain-size dynamics within a two-phase mid-ocean ridge model. The developments of such a model will be discussed. References: [1] R. F. Katz, Journal of Petrology, volume 49, issue 12, page 2099, 2008. [2] N. J. Austin and B. Evans, Geology, 35:354, 2007. [3] G. Hirth and D. Kohlstedt, In Inside the Subduction Factory, volume 138 of AGU Geophysical Monograph, 2003. [4] L. N. Hansen et al., JGR (Solid Earth), 116:B08201, 2011.

Evolvable social agents for bacterial systems modeling.

PubMed

Paton, Ray; Gregory, Richard; Vlachos, Costas; Saunders, Jon; Wu, Henry

2004-09-01

We present two approaches to the individual-based modeling (IbM) of bacterial ecologies and evolution using computational tools. The IbM approach is introduced, and its important complementary role to biosystems modeling is discussed. A fine-grained model of bacterial evolution is then presented that is based on networks of interactivity between computational objects representing genes and proteins. This is followed by a coarser grained agent-based model, which is designed to explore the evolvability of adaptive behavioral strategies in artificial bacteria represented by learning classifier systems. The structure and implementation of the two proposed individual-based bacterial models are discussed, and some results from simulation experiments are presented, illustrating their adaptive properties.

ISS-Experiments of Columnar-to-Equiaxed Transition in Solidification Processing

NASA Technical Reports Server (NTRS)

Sturz, Laszlo; Zimmermann, Gerhard; Gandin, Charles, Andre; Billia, Bernard; Magelinck, Nathalie; Nguyen-Thi, Henry; Browne, David John; Mirihanage, Wajira U.; Voss, Daniela; Beckermann, Christoph;

Simulation and experimental comparison of the thermo-mechanical history and 3D microstructure evolution of 304L stainless steel tubes manufactured using LENS

NASA Astrophysics Data System (ADS)

Johnson, Kyle L.; Rodgers, Theron M.; Underwood, Olivia D.; Madison, Jonathan D.; Ford, Kurtis R.; Whetten, Shaun R.; Dagel, Daryl J.; Bishop, Joseph E.

2018-05-01

Additive manufacturing enables the production of previously unachievable designs in conjunction with time and cost savings. However, spatially and temporally fluctuating thermal histories can lead to residual stress states and microstructural variations that challenge conventional assumptions used to predict part performance. Numerical simulations offer a viable way to explore the root causes of these characteristics, and can provide insight into methods of controlling them. Here, the thermal history of a 304L stainless steel cylinder produced using the Laser Engineered Net Shape process is simulated using finite element analysis (FEA). The resultant thermal history is coupled to both a solid mechanics FEA simulation to predict residual stress and a kinetic Monte Carlo model to predict the three-dimensional grain structure evolution. Experimental EBSD measurements of grain structure and in-process infrared thermal data are compared to the predictions.

Simulation and experimental comparison of the thermo-mechanical history and 3D microstructure evolution of 304L stainless steel tubes manufactured using LENS

NASA Astrophysics Data System (ADS)

Johnson, Kyle L.; Rodgers, Theron M.; Underwood, Olivia D.; Madison, Jonathan D.; Ford, Kurtis R.; Whetten, Shaun R.; Dagel, Daryl J.; Bishop, Joseph E.

2017-12-01

Additive manufacturing enables the production of previously unachievable designs in conjunction with time and cost savings. However, spatially and temporally fluctuating thermal histories can lead to residual stress states and microstructural variations that challenge conventional assumptions used to predict part performance. Numerical simulations offer a viable way to explore the root causes of these characteristics, and can provide insight into methods of controlling them. Here, the thermal history of a 304L stainless steel cylinder produced using the Laser Engineered Net Shape process is simulated using finite element analysis (FEA). The resultant thermal history is coupled to both a solid mechanics FEA simulation to predict residual stress and a kinetic Monte Carlo model to predict the three-dimensional grain structure evolution. Experimental EBSD measurements of grain structure and in-process infrared thermal data are compared to the predictions.

Two-step crystal growth mechanism during crystallization of an undercooled Ni50Al50 alloy

NASA Astrophysics Data System (ADS)

An, Simin; Li, Jiahao; Li, Yang; Li, Shunning; Wang, Qi; Liu, Baixin

2016-08-01

Crystallization processes are always accompanied by the emergence of multiple intermediate states, of which the structures and transition dynamics are far from clarity, since it is difficult to experimentally observe the microscopic pathway. To insight the structural evolution and the crystallization dynamics, we perform large-scale molecular dynamics simulations to investigate the time-dependent crystallization behavior of the NiAl intermetallic upon rapid solidification. The simulation results reveal that the crystallization process occurs via a two-step growth mechanism, involving the formation of initial non-equilibrium long range order (NLRO) regions and of the subsequent equilibrium long range order (ELRO) regions. The formation of the NLRO regions makes the grains rather inhomogeneous, while the rearrangement of the NLRO regions into the ELRO regions makes the grains more ordered and compact. This two-step growth mechanism is actually controlled by the evolution of the coordination polyhedra, which are characterized predominantly by the transformation from five-fold symmetry to four-fold and six-fold symmetry. From liquids to NLRO and further to ELRO, the five-fold symmetry of these polyhedra gradually fades, and finally vanishes when B2 structure is distributed throughout the grain bulk. The energy decrease along the pathway further implies the reliability of the proposed crystallization processes.

Nanostructure formation during accumulative roll bonding of commercial purity titanium

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

Karimi, Mohsen, E-mail: m.karimi@shahroodut.ac.ir

2016-12-15

In this investigation, commercial purity titanium (CP–Ti) was subjected to accumulative roll bonding (ARB) process up to 8 cycles (equivalent strain of 6.4) at the ambient temperature. Transmission electron microscopy (TEM) and X–ray diffraction line profile analysis (XRDLPA) were utilized to investigate the microstructure and grain size evolution. Both characterization techniques could clarify the non–uniform microstructure in the early stages and the uniform microstructure in the final stages of the process. The effectiveness of ARB for the fabrication of the nano–grained structure in CP–Ti was revealed. It was found that the SFE is not the only factor affecting grain refinement,more » as compared with other studies on ARB of FCC materials. Influence of other factors such as the melting temperature and the crystalline structure of the material was determined on the grain refinement. - Highlights: •Nano–grained commercial purity titanium was produced by accumulative roll bonding. •TEM and XRDLPA were used for the characterization of the microstructure. •Important factors affecting the grain size of ARBed materials were discussed.« less

Dust evolution, a global view: III. Core/mantle grains, organic nano-globules, comets and surface chemistry

NASA Astrophysics Data System (ADS)

Jones, A. P.

2016-12-01

Within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), this work explores the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and their influence on the nature of these fascinating particles. It appears that a realistic consideration of the nature and chemical reactivity of interstellar grain surfaces could self-consistently and within a coherent framework explain: the anomalous oxygen depletion, the nature of the CO dark gas, the formation of `polar ice' mantles, the red wing on the 3 μm water ice band, the basis for the O-rich chemistry observed in hot cores, the origin of organic nano-globules and the 3.2 μm `carbonyl' absorption band observed in comet reflectance spectra. It is proposed that the reaction of gas phase species with carbonaceous a-C(:H) grain surfaces in the interstellar medium, in particular the incorporation of atomic oxygen into grain surfaces in epoxide functional groups, is the key to explaining these observations. Thus, the chemistry of cosmic dust is much more intimately related with that of the interstellar gas than has previously been considered. The current models for interstellar gas and dust chemistry will therefore most likely need to be fundamentally modified to include these new grain surface processes.

Recrystallization and grain growth behavior of rolled tungsten under VDE-like short pulse high heat flux loads

NASA Astrophysics Data System (ADS)

Yuan, Y.; Greuner, H.; Böswirth, B.; Krieger, K.; Luo, G.-N.; Xu, H. Y.; Fu, B. Q.; Li, M.; Liu, W.

2013-02-01

Short pulse heat loads expected for vertical displacement events (VDEs) in ITER were applied in the high heat flux (HHF) test facility GLADIS at IPP-Garching onto samples of rolled W. Pulsed neutral beams with the central heat flux of 23 MW/m2 were applied for 0.5, 1.0 and 1.5 s, respectively. Rapid recrystallization of the adiabatically loaded 3 mm thick samples was observed when the pulse duration was up to 1.0 s. Grains grew markedly following recrystallization with increasing pulse length. The recrystallization temperature and temperature dependence of the recrystallized grain size were also investigated. The results showed that the recrystallization temperature of the W grade was around 2480 °C under the applied heat loading condition, which was nearly 1150 °C higher than the conventional recrystallization temperature, and the grains were much finer. A linear relationship between the logarithm of average grain size (ln d) and the inverse of maximum surface temperature (1/Tmax) was found and accordingly the activation energy for grain growth in temperature evolution up to Tmax in 1.5 s of the short pulse HHF load was deduced to be 4.1 eV. This provided an effective clue to predict the structure evolution under short pulse HHF loads.

Atomic study of effects of crystal structure and temperature on structural evolution of Au nanowires under torsion

NASA Astrophysics Data System (ADS)

Wu, Cheng-Da; Tsai, Hsing-Wei

2018-06-01

The effect of temperature on the structural evolution of nanocrystalline (NC) and single-crystalline (SC) Au nanowires (NWs) under torsional deformation is studied using molecular dynamics simulations based on the many-body embedded-atom potential. The effect is investigated using common neighbor analysis and discussed in terms of shear strain distribution and atomic flow field. The simulation results show that deformation for NC NWs is mainly driven by the nucleation and propagation of dislocations and the gliding of grain boundaries (GBs) and that for SC NWs is mainly driven by dislocations and the formation of disordered structures. Dislocations for NC and SC NWs easily nucleate at GBs and free surfaces, respectively. For NC NWs, torsional buckling occurs easily at GBs with large gliding. SC NWs have a more uniform and larger elastic deformation under torsion compared to that for NC NWs due to the former's lack of grains. SC NWs have a long period of elastic deformation transforming into plastic deformation. Increasing temperature facilitates stress transmission throughout NWs.

Thermal Stabilization and Mechanical Properties of Nanocrystalline Iron-Nickel-Zirconium Alloys

NASA Astrophysics Data System (ADS)

Kotan, Hasan

Ultrafine grained and nanostructured materials are promising for structural applications because of the high strength compared to coarse grained counterparts. However, their widespread application is limited by an inherently high driving force for thermally induced grain growth, even at low temperatures. Accordingly, the understanding of and control over grain growth in nanoscale materials is of great technological and scientific importance as many physical properties (i.e. mechanical properties) are functions of the average grain size and the grain size distribution within the microstructure. Here, we investigate the microstructural evolution and grain growth in Fe-Ni alloys with Zr addition and differentiate the stabilization mechanisms acting on grain boundaries. Fe-Ni alloys are chosen for stability investigations since they are important for understanding the behavior of many steels and other ferrous alloys. Zirconium is proven to be an effective grain size stabilizer in pure Fe and Fe-base systems. In this study, nanocrystalline alloys were prepared by high energy ball milling. In situ and ex situ experiments were utilized to directly follow grain growth and microstructural evolution as a function of temperature and composition. The information obtained from these experiments enables the real time observation of microstructural evolution and phase transformation and provides a unique view of dynamic reactions as they occur. The knowledge of the thermal stability will exploit the potential high temperature applications and the consolidation conditions (i.e. temperature and pressure) to obtain high dense materials for advanced mechanical tests. Our investigations reveal that the grain growth of Fe-Ni alloys is not affected by Ni content but strongly inhibited by the addition of 1 at% Zr up to about 700 °C. The microstructural stability is lost due to the bcc-to-fcc transformation (occurring at 700°C) by the sudden appearance of abnormally grown fcc grains. However it was determined grain growth can be suppressed kinetically at higher temperatures for high Zr containing alloys by precipitation of intermetallic compounds. Eventually at high enough temperatures the retention of nanocrystallinity was lost, leaving behind fine micron grains filled with nanoscale intermetallic precipitates. Despite the loss of stability the in-situ formed precipitates were found to induce an Orowan hardening affect. The results from the mechanical tests show that Orowan particle strengthening can be as significant as Hall Petch hardening is at the smallest grain sizes.

Hydrocarbons in the ISM: Their Evolution and the Grain-to-Molecule Transition

NASA Astrophysics Data System (ADS)

Jones, Anthony P.

The evolution of hydrocarbon grains in the ISM is determined, principally, by the effects of photo-processing (annealing) which lead to a progressive loss of hydrogen from the structure and an associated 'graphitisation' of the material. Eventually this 'graphitisation' results in a low-density, highly aromatic material that can disaggregate into its aromatic-rich molecular components. These changes are followed through the use of an extended random covalent network (RCN) model for the hydrocarbon structure. This type of 'top down' process could be a significant source of the large molecular infrared band carriers in photon dominated regions. On the basis of this simple model there should thus be a relationship between the small grain and large molecule infrared emission bands across, and within, astrophysical boundaries such as photo-dissociation regions. 1. Introduction Carbon is the most abundant dust-forming element in the ISM and a large fraction of this carbon is in the form of grains comprised, principally, of hydrocarbon materials, including those where the hydrogen content is minimal. Interstellar hydrocarbon grains include: graphite, hydrogenated amorphous aliphatic and/or aromatic hydrocarbons (a-C, a-C:H) and (nano)diamond. These hydrocarbon dusts play a pivotal role in determining, amongst other things, the interstellar extinction, the dust thermal emission and the photo-electric heating of the gas in the ISM. 2. Hydrocarbon grains in the ISM Hydrocarbon grains are formed in the circumstellar shells around C-rich evolved stars, in supernova ejecta and also in the ISM itself via accretion and solid-state chemistry. The physical and chemical properties of hydrocarbon grains are indeed complex and vary in response to the ambient conditions (density, temperature, radiation field, ...). For example they can undergo both chemical and physical processing (growth and changes in chemical composition through accretion and reaction, erosion via inertial or chemi-sputtering, photo-darkening or 'graphitisation', photo-disruption in intense radiation fields and fragmentation in interstellar shock waves). Recently, using laboratory simulations of carbon dust analogues, Dartois, Muñoz Caro, Deboffle, et al. (2004,2005) have shown that hydrogen-rich (> 50 atomic % H) hydrocarbon solids can explain the observed interstellar absorption bands at 3.4, 6.85 and 7.25 μm. They also show that the thermal annealing of this material is accompanied by an increase in the aromatic component, i.e., a 'graphitisation'. Such a transformation and evolution of interstellar hydrocarbons was proposed by Duley, Jones & Williams (1989) and Jones, Duley & Wiliams (1990). This photon-driven process, acting on the hydrogen-rich hydrocarbon grains in the ISM that originate predominantly from carbon-rich evolved stars, will lead to a progressive loss of hydrogen and an associated 'graphitisation' and 'openingup' of the structure. The end point of the 'graphitisation' process is then a low-density material that will disaggregate into its constituent aromatic molecular components and the necessarily-associated sp3 and sp2 carbon and hydrogen atom bridging structures, e.g., Duley (2000), Petrie, Stranger & Duley (2003). In this work we follow the 'graphitisation' process using a random covalent network (RCN) approach that extends the work of Jones (1990). To summarise, the RCN model characterises a series of hydrocarbons based upon the sp3/sp2 carbon atom ratio (R) and the atomic fraction of hydrogen (XH) within the material. This model allows an essentially one-parameter determination of the a-C:H structure and a prediction of the major infrared bands. We find that the large hydrocarbon grains, with temperatures in equilibrium with the local radiation field, will be rather hydrogen-rich and that the smaller grains, which undergo stochastic heating to high temperatures, will be converted into hydrogen-poorer and more graphitic materials. The photo-fragmentation of the smaller aromatic grains can be an important source of molecular aromatic species. The infrared spectrum of a given RCN hydrocarbon depends, principally, upon only its hydrogen content XH. The spectra predicted from this RCN model can then be compared with the interstellar absorption and emission bands in the 32 μm range. The compositional changes of a-C:H, and its constituent 'molecular' components, can then be mapped across a given region. 3. Conclusions The physics and chemistry of hydrocarbon grains is complex. Interstellar hydrocarbon grains will be a mixture of many different forms arising from many different sources and modified in many different regions of the ISM. Nevertheless, we can appreciate how this complex material evolves chemically, structurally and physically as a function of the ambient conditions through the use of a rather simple, and extended, RCN model. The transition/evolution of hydrocarbons in the ISM is, generally, from hydrogen-rich a-C:H, in the form of large grains formed around evolved stars, through to smaller, hydrogen-poor, low-density, aromatic a-C:H materials. The subsequent photo-fragmentation of the small aromatic grains could then be the origin of the aromatic emission band carriers within the ISM. We find that the spectral and physical properties of hydrocarbons in the ISM vary in a systematic way across, and also within, astrophysical environments. However, the history of the particles, prior to their incorporation into a given region, could also play a major role in determining their physical properties in that region. Thus, the evolution of hydrocarbon grains in the ISM will be size-, time- and history-dependent. It is therefore necessary that dust models take into account this complexity in predicting the properties of hydrocarbons in the ISM.

Grain size evolution and convection regimes of the terrestrial planets

NASA Astrophysics Data System (ADS)

Rozel, A.; Golabek, G. J.; Boutonnet, E.

2011-12-01

A new model of grain size evolution has recently been proposed in Rozel et al. 2010. This new approach stipulates that the grain size dynamics is governed by two additive and simultaneous processes: grain growth and dynamic recrystallization. We use the usual normal grain growth laws for the growth part. For dynamic recrystallization, reducing the mean grain size increases the total area of grain boundaries. Grain boundaries carry some surface tension, so some energy is required to decrease the mean grain size. We consider that this energy is available during mechanical work. It is usually considered to produce some heat via viscous dissipation. A partitioning parameter f is then required to know what amount of energy is dissipated and what part is converted in surface tension. This study gives a new calibration of the partitioning parameter on major Earth materials involved in the dynamic of the terrestrial planets. Our calibration is in adequation with the published piezometric relations available in the literature (equilibrium grain size versus shear stress). We test this new model of grain size evolution in a set of numerical computations of the dynamics of the Earth using stagYY. We show that the grain size evolution has a major effect on the convection regimes of terrestrial planets.

Investigation of nucleation processes during dynamic recrystallization of ice using cryo-EBSD.

PubMed

Chauve, T; Montagnat, M; Barou, F; Hidas, K; Tommasi, A; Mainprice, D

2017-02-13

Nucleation mechanisms occurring during dynamic recrystallization play a crucial role in the evolution of microstructures and textures during high temperature deformation. In polycrystalline ice, the strong viscoplastic anisotropy induces high strain heterogeneities between grains which control the recrystallization mechanisms. Here, we study the nucleation mechanisms occurring during creep tests performed on polycrystalline columnar ice at high temperature and stress (T=-5°C;σ=0.5 MPa) by post-mortem analyses of deformation microstructures using cryogenic electron backscatter diffraction. The columnar geometry of the samples enables discrimination of the nuclei from the initial grains. Various nucleation mechanisms are deduced from the analysis of the nuclei relations with the dislocation sub-structures within grains and at grain boundaries. Tilt sub-grain boundaries and kink bands are the main structures responsible for development of polygonization and mosaic sub-structures. Nucleation by bulging at serrated grain boundaries is also an efficient nucleation mechanism near the grain boundaries where strain incompatibilities are high. Observation of nuclei with orientations not related to the 'parent' ones suggests the possibility of 'spontaneous' nucleation driven by the relaxation of the dislocation-related internal stress field. The complexity of the nucleation mechanisms observed here emphasizes the impact of stress and strain heterogeneities on dynamic recrystallization mechanisms.This article is part of the themed issue 'Microdynamics of ice'. © 2016 The Author(s).

Investigation of nucleation processes during dynamic recrystallization of ice using cryo-EBSD

PubMed Central

Barou, F.; Hidas, K.; Tommasi, A.; Mainprice, D.

2017-01-01

Nucleation mechanisms occurring during dynamic recrystallization play a crucial role in the evolution of microstructures and textures during high temperature deformation. In polycrystalline ice, the strong viscoplastic anisotropy induces high strain heterogeneities between grains which control the recrystallization mechanisms. Here, we study the nucleation mechanisms occurring during creep tests performed on polycrystalline columnar ice at high temperature and stress (T=−5°C;σ=0.5 MPa) by post-mortem analyses of deformation microstructures using cryogenic electron backscatter diffraction. The columnar geometry of the samples enables discrimination of the nuclei from the initial grains. Various nucleation mechanisms are deduced from the analysis of the nuclei relations with the dislocation sub-structures within grains and at grain boundaries. Tilt sub-grain boundaries and kink bands are the main structures responsible for development of polygonization and mosaic sub-structures. Nucleation by bulging at serrated grain boundaries is also an efficient nucleation mechanism near the grain boundaries where strain incompatibilities are high. Observation of nuclei with orientations not related to the ‘parent’ ones suggests the possibility of ‘spontaneous’ nucleation driven by the relaxation of the dislocation-related internal stress field. The complexity of the nucleation mechanisms observed here emphasizes the impact of stress and strain heterogeneities on dynamic recrystallization mechanisms. This article is part of the themed issue ‘Microdynamics of ice’. PMID:28025294

Snowpack spatial and temporal variability assessment using SMP high-resolution penetrometer

NASA Astrophysics Data System (ADS)

Komarov, Anton; Seliverstov, Yuriy; Sokratov, Sergey; Grebennikov, Pavel

2017-04-01

This research is focused on study of spatial and temporal variability of structure and characteristics of snowpack, quick identification of layers based on hardness and dispersion values received from snow micro penetrometer (SMP). We also discuss the detection of weak layers and definition of their parameters in non-alpine terrain. As long as it is the first SMP tool available in Russia, our intent is to test it in different climate and weather conditions. During two separate snowpack studies in plain and mountain landscapes, we derived density and grain size profiles by comparing snow density and grain size from snowpits and SMP measurements. The first case study was MSU meteorological observatory test site in Moscow. SMP data was obtained by 6 consecutive measurements along 10 m transects with a horizontal resolution of approximately 50 cm. The detailed description of snowpack structure, density, grain size, air and snow temperature was also performed. By comparing this information, the detailed scheme of snowpack evolution was created. The second case study was in Khibiny mountains. One 10-meter-long transect was made. SMP, density, grain size and snow temperature data was obtained with horizontal resolution of approximately 50 cm. The high-definition profile of snowpack density variation was acquired using received data. The analysis of data reveals high spatial and temporal variability in snow density and layer structure in both horizontal and vertical dimensions. It indicates that the spatial variability is exhibiting similar spatial patterns as surface topology. This suggests a strong influence from such factors as wind and liquid water pressure on the temporal and spatial evolution of snow structure. It was also defined, that spatial variation of snowpack characteristics is substantial even within homogeneous plain landscape, while in high-latitude mountain regions it grows significantly.

Aeolian Grain Evolution on Mars: Implications for Regolith Origins

NASA Astrophysics Data System (ADS)

Sullivan, R. J.; Cabrol, N. A.; Golombek, M.; Herkenhoff, K. E.; Landis, G.; Mer Athena Science Team

2010-12-01

Early wind tunnel experiments and the Viking Lander experience led to concepts of grain evolution and regolith development on Mars. Wind tunnel experiments showed that 100-150 μm grains are easiest to entrain on Mars, but at 10 times higher wind speeds than on Earth. Even if trajectory speeds of martian saltating grains achieve smaller fractions of entraining wind speeds than on Earth, kinetic energies of these grains would be much higher, with greater potential for damage to the grains during return collisions with the particle bed. On this basis Sagan et al. [1977] JGR 82, 28, 4430 proposed that aeolian grain evolution on Mars followed a “kamikaze” pattern in which an initially coarse grain, entrained only relatively rarely by the strongest winds, would be abraded by high kinetic energy impacts and migrate through successively smaller size-frequencies at an ever-increasing rate (as entrainment became easier and thus more likely) until the grain was essentially turned to dust. On this basis it was proposed that sand-sized grains might be relatively short-lived and perhaps rare on Mars. MER observations motivate adjustments to these concepts, with implications for origins of martian regolith reworked by wind. Along both MER traverses, on opposite sides of the planet, regolith is volumetrically dominated by very fine sand mixed with unresolved finer grains. Sorting probably is poor, based on weakly cohesive remolding by rover wheel cleats. The size-frequency of this material, even if not precisely known, is consistent with grains that have evolved by attrition to sizes smaller than the most easily-moved 100-150 μm interval, to where entrainment becomes more difficult due to the increasing relative importance of inter-particle surface forces. At these smaller sizes also, kinetic energies have been reduced proportionally by the cube of the particle radius, so grain-to-grain attrition is less effective for further evolution to even smaller grain sizes. Characteristics of the most ubiquitous, volumetrically dominant regolith component at both MER sites are consistent with a residuum of grains developed by aeolian grain-to-grain collisions. At both MER sites also: (1) there is a paucity of grains between 300 and 850 μm; and (2) grains >850 μm have participated in creep movements (driven by saltation of finer grains) during past migrations of coarse-grained ripples. These and other observations suggest aeolian grain evolution in which (1) the coarsest grains initially would be driven in creep only, where attrition efficiency might be limited; (2) probability of saltation increases when grain size evolves somewhere below ~900 μm, accelerating further grain evolution to smaller sizes until slowed by decreasing susceptibility to entrainment and (more importantly) decreased collisional effectiveness at grain sizes of <100 μm. We speculate that on a planet where aeolian working of surface materials is common, this grain evolution scenario could have widespread applicability and that regolith grain size-frequency characteristics encountered at both MER sites might be common in many regolith units across the martian surface that have been processed by wind.

Shear-Coupled Grain Growth and Texture Development in a Nanocrystalline Ni-Fe Alloy during Cold Rolling

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

Li, Li; Ungár, Tamás; Toth, Laszlo S.

The evolution of texture, grain size, grain shape, dislocation and twin density has been determined by synchrotron X-ray diffraction and line profile analysis in a nanocrystalline Ni- Fe alloy after cold rolling along different directions related to the initial fiber and the long axis of grains. The texture evolution has been simulated by the Taylor-type relaxed constraints viscoplastic polycrystal model. The simulations were based on the activity of partial dislocations in correlation with the experimental results of dislocation density determination. The concept of stress-induced shear-coupling is supported and strengthened by both the texture simulations and the experimentally determined evolution ofmore » the microstructure parameters. Grain-growth and texture evolution are shown to proceed by the shear-coupling mechanism supported by dislocation activity as long as the grain size is not smaller than about 20 nm.« less

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

Chen, Junfeng, E-mail: chenjunfeng@fzu.edu.cn; Zou, Linchi, E-mail: zoulinchi1201@163.com; Li, Qiang

The microstructure evolution of the 7050 Al alloy treated by age-forming was studied using a designed device which can simulate the age-forming process. The grain shape, grain boundary misorientation and grain orientation evolution of 7050 Al alloy during age-forming have been quantitatively characterized by electron backscattering diffraction technique. The results show that age-forming produced abundant low-angle boundaries and elongated grains, which attributed to stress induced dislocation movement and grain boundary migration during the age-forming process. On the other side, the stress along rolling direction caused some unstable orientation grains to rotate towards the Brass and S orientations during the age-formingmore » process. Hence, the intensity of the rolling texture orientation in age-formed samples is enhanced. But this effect decays gradually with increasing aging time, since stress decreases and precipitation hardening occurs during the age-forming process. - Highlights: • Quantitative analysis of grain evolution of 7050 Al alloys during age-forming • Stress induces some grain rotation of 7050 Al alloys during age-forming. • Creep leads to elongate grain of 7050 Al alloys during age-forming. • Obtains a trend on texture evolution during age-forming applied stress.« less

Coagulation of grains in static and collapsing protostellar clouds

NASA Technical Reports Server (NTRS)

Weidenschilling, S. J.; Ruzmaikina, T. V.

1994-01-01

We simulate collisional evolution of grains in dense turbulent molecular cloud cores (or Bok globules) in static equilibrium and free-fall collapse, assuming spherical symmetry. Relative velocities are due to thermal motions, differential settling, and turbulence, with the latter dominant for sonic turbulence with an assumed Kolmogorov spectrum. Realistic criteria are used to determine outcomes of collisions (coagulation vs. destruction) as functions of particle size and velocity. Results are presented for a variety of cloud parameters (radial density profile, turbulent velocity) and particle properties (density, impact strength). Results are sensitive to the assumed mechanical properties (density and impact strength) of grain aggregates. Particle growth is enhanced if aggregates have low density or fractal structures. On a timescale of a few Myr, an initial population of 0.1 micrometers grains may produce dense compact particles approximately 1 micrometer in size, or fluffy aggregates approximately 100 micrometers. For impact strengths less than or equal to 10(exp 6) ergs/g, a steady state is reached between coagulation of small grains and collisional disruption of larger aggregates. Formation of macroscopic aggregates requires high mechanical strengths and low aggregate densities. We assume sonic turbulence during collapse, with varied eddy size scales determining the dissipation rate or turbulence strength. The degree of collisional evolution during collapse is sensitive to the assumed small-scale structure (inner sc ale) of the turbulence. Weak turbulence results in few collisions and preserves the precollapse particle size distribution with little change. Strong turbulence tends to produce net destruction, rather than particle growth, during infall, unless inpact strengths are greater than 10(exp 6)ergs/g.

Isothermal Ageing of SnAgCu Solder Alloys: Three-Dimensional Morphometry Analysis of Microstructural Evolution and Its Effects on Mechanical Response

NASA Astrophysics Data System (ADS)

Maleki, Milad; Cugnoni, Joë; Botsis, John

2014-04-01

Due to the high homologous temperature and fast cooling rates, the microstructures of SnAgCu (SAC) solders are in a meta-stable state in most applications, which is the cause of significant microstructural evolution and continuous variation in the mechanical behavior of the joints during service. The link between microstructures evolution and deformation behavior of Sn-4.0Ag-0.5Cu solder during isothermal ageing is investigated. The evolution of the microstructures in SAC solders are visualized at different scales in 3D by using a combination of synchrotron x-ray and focused ion beam/scanning electron microscopy tomography techniques at different states of ageing. The results show that, although the grain structure, morphology of dendrites, and overall volume fraction of intermetallics remain almost constant during ageing, considerable coarsening occurs in the Ag3Sn and Cu6Sn5 phases to lower the interfacial energy. The change in the morphometrics of sub-micron intermetallics is quantified by 3D statistical analyses and the kinetic of coarsening is discussed. The mechanical behavior of SAC solders is experimentally measured and shows a continuous reduction in the yield resistance of solder during ageing. For comparison, the mechanical properties and grain structure of β-tin are evaluated at different annealing conditions. Finally, the strengthening effect due to the intermetallics at different ageing states is evaluated by comparing the deformation behaviors of SAC solder and β-tin with similar grain size and composition. The relationship between the morphology and the strengthening effect due to intermetallics particles is discussed and the causes for the strength degradation in SAC solder during ageing are identified.

An adaptively refined phase-space element method for cosmological simulations and collisionless dynamics

NASA Astrophysics Data System (ADS)

Hahn, Oliver; Angulo, Raul E.

2016-01-01

N-body simulations are essential for understanding the formation and evolution of structure in the Universe. However, the discrete nature of these simulations affects their accuracy when modelling collisionless systems. We introduce a new approach to simulate the gravitational evolution of cold collisionless fluids by solving the Vlasov-Poisson equations in terms of adaptively refineable `Lagrangian phase-space elements'. These geometrical elements are piecewise smooth maps between Lagrangian space and Eulerian phase-space and approximate the continuum structure of the distribution function. They allow for dynamical adaptive splitting to accurately follow the evolution even in regions of very strong mixing. We discuss in detail various one-, two- and three-dimensional test problems to demonstrate the performance of our method. Its advantages compared to N-body algorithms are: (I) explicit tracking of the fine-grained distribution function, (II) natural representation of caustics, (III) intrinsically smooth gravitational potential fields, thus (IV) eliminating the need for any type of ad hoc force softening. We show the potential of our method by simulating structure formation in a warm dark matter scenario. We discuss how spurious collisionality and large-scale discreteness noise of N-body methods are both strongly suppressed, which eliminates the artificial fragmentation of filaments. Therefore, we argue that our new approach improves on the N-body method when simulating self-gravitating cold and collisionless fluids, and is the first method that allows us to explicitly follow the fine-grained evolution in six-dimensional phase-space.

Dust evolution, a global view: III. Core/mantle grains, organic nano-globules, comets and surface chemistry

PubMed Central

2016-01-01

Within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), this work explores the surface processes and chemistry relating to core/mantle interstellar and cometary grain structures and their influence on the nature of these fascinating particles. It appears that a realistic consideration of the nature and chemical reactivity of interstellar grain surfaces could self-consistently and within a coherent framework explain: the anomalous oxygen depletion, the nature of the CO dark gas, the formation of ‘polar ice’ mantles, the red wing on the 3 μm water ice band, the basis for the O-rich chemistry observed in hot cores, the origin of organic nano-globules and the 3.2 μm ‘carbonyl’ absorption band observed in comet reflectance spectra. It is proposed that the reaction of gas phase species with carbonaceous a-C(:H) grain surfaces in the interstellar medium, in particular the incorporation of atomic oxygen into grain surfaces in epoxide functional groups, is the key to explaining these observations. Thus, the chemistry of cosmic dust is much more intimately related with that of the interstellar gas than has previously been considered. The current models for interstellar gas and dust chemistry will therefore most likely need to be fundamentally modified to include these new grain surface processes. PMID:28083090

Microstructure development and texture evolution of aluminum multi-port extrusion tube during the porthole die extrusion

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

Fan, X.H.

Aluminum multi-port extrusion tube is processed by the porthole die extrusion and the internal tube walls are welded through the solid state metallurgical bonding. In order to observe the development of grains and their orientations under severe plastic deformation and solid state welding, the extrusion butt together with the die is quenched immediately after extrusion to preserve the grain structure in the processing. The forming histories of selected material points are obtained by analyzing the optical microscopy graph. The evolution of the microstructure along the forming path is characterized by electro backscattered diffraction. It is found that geometrical dynamic recrystallizationmore » happens in the process. Grains are elongated, scattered at the transition zone and shear intensive zone, and then pinched off when they are pushed out from the die orifice. The shear-type orientations are predominant at the surface layer on the longitudinal section of the tube web and have penetrated into the intermediate layer. The rolling-type orientations are formed at the central layer. Texture gradient through the thickness of the tube web is observed. And cube orientated grains are found at the seam weld region. - Highlights: •Microstructure of extrusion butt is preserved after the micro scale porthole die extrusion. •Grain morphology history along forming path is investigated. •Texture evolutions on three material flows are present. •Texture gradient exists on the longitudinal section of the internal wall of profile. •Rolling-type and cube textures are found at the solid state welding region.« less

The Microstructure and Gamma Prime Distributions in Inertia Friction Welded Joint of P/M Superalloy FGH96

NASA Astrophysics Data System (ADS)

Zhang, Chi; Shen, Wenfei; Zhang, Liwen; Xia, Yingnan; Li, Ruiqin

2017-04-01

A gamma prime ( γ') precipitation ( 35% in volume)-hardened powder metallurgy (P/M) superalloy FGH96 was welded using inertia friction welding (IFW). The microstructure and γ' distributions in the joints in two conditions, hot isostatic pressed state and solution-treated and aged state, were characterized. The recrystallization of grains, the dissolution and re-precipitation of γ' in the joints were discussed in terms of the temperature evolutions which were calculated by finite element model analysis. Regardless of the initial states, fully recrystallized fine grain structure formed at welded zone. Meanwhile, very fine γ' precipitations were re-precipitated at the welded zone. These recrystallized grain structure and fine re-precipitated γ' resulted in increasing hardness of IFW joint while making the hardness dependent on the microstructure and γ' precipitation.

Texture evolution in Oxide Dispersion Strengthened (ODS) steel tubes during pilgering process

NASA Astrophysics Data System (ADS)

Vakhitova, E.; Sornin, D.; Barcelo, F.; François, M.

2017-10-01

Oxide Dispersion Strengthened (ODS) steels are foreseen as fuel cladding material in the coming generation of Sodium Fast Reactors (SFR). Cladding tubes are manufactured by hot extrusion and subsequent cold forming steps. In this study, a 9 wt% Cr ODS steel exhibiting α-γ phase transformation at high temperature is cold formed under industrial conditions with a large section reduction in two pilgering steps. The influence of pilgering process parameters and intermediate heat treatment on the microstructure evolution is studied experimentally using Electron Backscattering Diffraction (EBSD) and X-ray Diffraction (XRD) methods. Pilgered samples show elongated grains and a high texture formation with a preferential orientation along the rolling direction. During the heat treatment, grain morphology is recovered from elongated grains to almost equiaxed ones, while the well-known α-fiber texture presents an unexpected increase in intensity. The remarkable temperature stability of this fiber is attributed to a crystallographic structure memory effect during phase transformations.

Microstructural Evolution of Nanocrystalline Diamond Films Due to CH4/Ar/H2 Plasma Post-Treatment Process.

PubMed

Lin, Sheng-Chang; Yeh, Chien-Jui; Manoharan, Divinah; Leou, Keh-Chyang; Lin, I-Nan

2015-10-07

Plasma post-treatment process was observed to markedly enhance the electron field emission (EFE) properties of ultrananocrystalline diamond (UNCD) films. TEM examinations reveal that the prime factor which improves the EFE properties of these films is the coalescence of ultrasmall diamond grains (∼5 nm) forming large diamond grains about hundreds of nanometers accompanied by the formation of nanographitic clusters along the grain boundaries due to the plasma post-treatment process. OES studies reveal the presence of large proportion of atomic hydrogen and C2 (or CH) species, which are the main ingredients that altered the granular structure of the UNCD films. In the post-treatment process, the plasma interacts with the diamond films by a diffusion process. The recrystallization of diamond grains started at the surface region of the material, and the interaction zone increased with the post-treatment period. The entire diamond film can be converted into a nanocrystalline granular structure when post-treated for a sufficient length of time.

Investigation on temporal evolution of the grain refinement in copper under high strain rate loading via in-situ synchrotron measurement and predictive modeling

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

Shah, Pooja Nitin; Shin, Yung C.; Sun, Tao

Synchrotron X-rays are integrated with a modified Kolsky tension bar to conduct in situ tracking of the grain refinement mechanism operating during the dynamic deformation of metals. Copper with an initial average grain size of 36 μm is refined to 6.3 μm when loaded at a constant high strain rate of 1200 s -1. The synchrotron measurements revealed the temporal evolution of the grain refinement mechanism in terms of the initiation and rate of refinement throughout the loading test. A multiscale coupled probabilistic cellular automata based recrystallization model has been developed to predict the microstructural evolution occurring during dynamic deformationmore » processes. The model accurately predicts the initiation of the grain refinement mechanism with a predicted final average grain size of 2.4 μm. As a result, the model also accurately predicts the temporal evolution in terms of the initiation and extent of refinement when compared with the experimental results.« less

Investigation on temporal evolution of the grain refinement in copper under high strain rate loading via in-situ synchrotron measurement and predictive modeling

DOE PAGES

Shah, Pooja Nitin; Shin, Yung C.; Sun, Tao

2017-10-03

Synchrotron X-rays are integrated with a modified Kolsky tension bar to conduct in situ tracking of the grain refinement mechanism operating during the dynamic deformation of metals. Copper with an initial average grain size of 36 μm is refined to 6.3 μm when loaded at a constant high strain rate of 1200 s -1. The synchrotron measurements revealed the temporal evolution of the grain refinement mechanism in terms of the initiation and rate of refinement throughout the loading test. A multiscale coupled probabilistic cellular automata based recrystallization model has been developed to predict the microstructural evolution occurring during dynamic deformationmore » processes. The model accurately predicts the initiation of the grain refinement mechanism with a predicted final average grain size of 2.4 μm. As a result, the model also accurately predicts the temporal evolution in terms of the initiation and extent of refinement when compared with the experimental results.« less

The onset and evolution of fatigue-induced abnormal grain growth in nanocrystalline Ni–Fe

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

Furnish, T. A.; Mehta, A.; Van Campen, D.

Conventional structural metals suffer from fatigue-crack initiation through dislocation activity which forms persistent slip bands leading to notch-like extrusions and intrusions. Ultrafine-grained and nanocrystalline metals can potentially exhibit superior fatigue-crack initiation resistance by suppressing these cumulative dislocation activities. Prior studies on these metals have confirmed improved high-cycle fatigue performance. In the case of nano-grained metals, analyses of subsurface crack initiation sites have indicated that the crack nucleation is associated with abnormally large grains. But, these post-mortem analyses have led to only speculation about when abnormal grain growth occurs (e.g., during fatigue, after crack initiation, or during crack growth). In thismore » study, a recently developed synchrotron X-ray diffraction technique was used to detect the onset and progression of abnormal grain growth during stress-controlled fatigue loading. Our study provides the first direct evidence that the grain coarsening is cyclically induced and occurs well before final fatigue failure—our results indicate that the first half of the fatigue life was spent prior to the detectable onset of abnormal grain growth, while the second half was spent coarsening the nanocrystalline structure and cyclically deforming the abnormally large grains until crack initiation. Post-mortem fractography, coupled with cycle-dependent diffraction data, provides the first details regarding the kinetics of this abnormal grain growth process during high-cycle fatigue testing. Finally, precession electron diffraction images collected in a transmission electron microscope after the in situ fatigue experiment also confirm the X-ray evidence that the abnormally large grains contain substantial misorientation gradients and sub-grain boundaries.« less

The onset and evolution of fatigue-induced abnormal grain growth in nanocrystalline Ni–Fe

DOE PAGES

Furnish, T. A.; Mehta, A.; Van Campen, D.; ...

2016-10-11

Conventional structural metals suffer from fatigue-crack initiation through dislocation activity which forms persistent slip bands leading to notch-like extrusions and intrusions. Ultrafine-grained and nanocrystalline metals can potentially exhibit superior fatigue-crack initiation resistance by suppressing these cumulative dislocation activities. Prior studies on these metals have confirmed improved high-cycle fatigue performance. In the case of nano-grained metals, analyses of subsurface crack initiation sites have indicated that the crack nucleation is associated with abnormally large grains. But, these post-mortem analyses have led to only speculation about when abnormal grain growth occurs (e.g., during fatigue, after crack initiation, or during crack growth). In thismore » study, a recently developed synchrotron X-ray diffraction technique was used to detect the onset and progression of abnormal grain growth during stress-controlled fatigue loading. Our study provides the first direct evidence that the grain coarsening is cyclically induced and occurs well before final fatigue failure—our results indicate that the first half of the fatigue life was spent prior to the detectable onset of abnormal grain growth, while the second half was spent coarsening the nanocrystalline structure and cyclically deforming the abnormally large grains until crack initiation. Post-mortem fractography, coupled with cycle-dependent diffraction data, provides the first details regarding the kinetics of this abnormal grain growth process during high-cycle fatigue testing. Finally, precession electron diffraction images collected in a transmission electron microscope after the in situ fatigue experiment also confirm the X-ray evidence that the abnormally large grains contain substantial misorientation gradients and sub-grain boundaries.« less

Linking Microstructural Evolution and Tribology in Metallic Contacts

NASA Astrophysics Data System (ADS)

Chandross, Michael; Cheng, Shengfeng; Argibay, Nicolas

Tribologists rely on phenomenological models to describe the seemingly disjointed steady-state regimes of metal wear. Pure metals such as gold - frequently used in electrical contacts - exhibit high friction and wear. In contrast, nanocrystalline metals often show much lower friction and wear. The engineering community has generally used a phenomenological connection between hardness and friction/wear to explain this macroscale response and guide designs. We present results of recent simulations and experiments that demonstrate a general framework for connecting materials properties (i.e. microstructural evolution) to tribological response. We present evidence that competition between grain refinement (from cold working), grain coarsening (from stress-induced grain growth), and wear (delamination and plowing) can be used to describe transient and steady state tribological behavior of metals, alloys and composites. We explore the seemingly disjointed steady-state friction regimes of metals and alloys, with a goal of elucidating the structure-property relationships, allowing for the engineering of tribological materials and contacts based on the kinetics of grain boundary motion. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Effect of Grain Orientation and Boundary Distributions on Hydrogen-Induced Cracking in Low-Carbon-Content Steels

NASA Astrophysics Data System (ADS)

Masoumi, Mohammad; Coelho, Hana Livia Frota; Tavares, Sérgio Souto Maior; Silva, Cleiton Carvalho; de Abreu, Hamilton Ferreira Gomes

2017-08-01

Hydrogen-induced cracking (HIC) causes considerable economic losses in a wide range of steels exposed to corrosive environments. The effect of crystallographic texture and grain boundary distributions tailored by rolling at 850 °C in three different steels with a body-centered cube structure was investigated on HIC resistance. The x-ray and electron backscattered diffraction techniques were used to characterize texture evolutions during the rolling process. The findings revealed a significant improvement against HIC based on texture engineering. In addition, increasing the number of {111} and {110} grains, associated with minimizing the number of {001} grains in warm-rolled samples, reduced HIC susceptibility. Moreover, the results showed that boundaries associated with low {hkl} indexing and denser packing planes had more resistance against crack propagation.

The origin and evolution of dust in interstellar and circumstellar environments

NASA Technical Reports Server (NTRS)

Whittet, Douglas C. B.; Leung, Chun M.

1993-01-01

This status report covers the period from the commencement of the research program on 1 Jul. 1992 through 30 Apr. 1993. Progress is reported for research in the following areas: (1) grain formation in circumstellar envelopes; (2) photochemistry in circumstellar envelopes; (3) modeling ice features in circumstellar envelopes; (4) episodic dust formation in circumstellar envelopes; (5) grain evolution in the diffuse interstellar medium; and (6) grain evolution in dense molecular clouds.

Microstructural Evolution and Mechanical Properties in Superlight Mg-Li Alloy Processed by High-Pressure Torsion

PubMed Central

Su, Qian; Xu, Jie; Li, Yuqiao; Yoon, Jae Ik; Shan, Debin; Guo, Bin; Kim, Hyoung Seop

2018-01-01

Microstructural evolution and mechanical properties of LZ91 Mg-Li alloy processed by high-pressure torsion (HPT) at an ambient temperature were researched in this paper. The microstructure analysis demonstrated that significant grain refinement was achieved after HPT processing with an average grain size reducing from 30 μm (the as-received condition) to approximately 230 nm through 10 turns. X-ray diffraction analysis revealed LZ91 alloy was consisted of α phase (hexagonal close-packed structure, hcp) and β phase (body-centered cubic structure, bcc) before and after HPT processing. The mean value of microhardness increased with the increasing number of HPT turns. This significantly increased hardness of specimens can be explained by Hall-Petch strengthening. Simultaneously, the distribution of microhardness along the specimens was different from other materials after HPT processing due to the different mechanical properties of two different phases. The mechanical properties of LZ91 alloy processed by HPT were assessed by the micro-tensile testing at 298, 373, 423, and 473 K. The results demonstrate that the ultra-fine grain LZ91 Mg-Li alloy exhibits excellent mechanical properties: tensile elongation is approximately 400% at 473 K with an initial strain rate of 1 × 10−2 s−1. PMID:29652807

Modeling and Studying the Effect of Texture and Elastic Anisotropy of Copper Microstructure in Nanoscale Interconnects on Reliability in Integrated Circuits

NASA Astrophysics Data System (ADS)

Basavalingappa, Adarsh

Copper interconnects are typically polycrystalline and follow a lognormal grain size distribution. Polycrystalline copper interconnect microstructures with a lognormal grain size distribution were obtained with a Voronoi tessellation approach. The interconnect structures thus obtained were used to study grain growth mechanisms, grain boundary scattering, scattering dependent resistance of interconnects, stress evolution, vacancy migration, reliability life times, impact of orientation dependent anisotropy on various mechanisms, etc. In this work, the microstructures were used to study the impact of microstructure and elastic anisotropy of copper on thermal and electromigration induced failure. A test structure with copper and bulk moduli values was modeled to do a comparative study with the test structures with textured microstructure and elastic anisotropy. By subjecting the modeled test structure to a thermal stress by ramping temperature down from 400 °C to 100 °C, a significant variation in normal stresses and pressure were observed at the grain boundaries. This variation in normal stresses and hydrostatic stresses at the grain boundaries was found to be dependent on the orientation, dimensions, surroundings, and location of the grains. This may introduce new weak points within the metal line where normal stresses can be very high depending on the orientation of the grains leading to delamination and accumulation sites for vacancies. Further, the hydrostatic stress gradients act as a driving force for vacancy migration. The normal stresses can exceed certain grain orientation dependent critical threshold values and induce delamination at the copper and cap material interface, thereby leading to void nucleation and growth. Modeled test structures were subjected to a series of copper depositions at 250 °C followed by copper etch at 25 °C to obtain initial stress conditions. Then the modeled test structures were subjected to 100,000 hours ( 11.4 years) of simulated thermal stress at an elevated temperature of 150 °C. Vacancy migration due to concentration gradients, thermal gradients, and mechanical stress gradients were considered under the applied thermal stress. As a result, relatively high concentrations of vacancies were observed in the test structure due to a driving force caused by the pressure gradients resulting from the elastic anisotropy of copper. The grain growth mechanism was not considered in these simulations. Studies with two grain analysis demonstrated that the stress gradients developed will be severe when (100) grains are adjacent to (111) grains, therefore making them the weak points for potentially reliability failures. Ilan Blech discovered that electromigration occurs above a critical product of the current density and metal length, commonly referred as Blech condition. Electromigration stress simulations in this work were carried out by subjecting test structures to scaled current densities to overcome the Blech condition of (jL)crit for small dimensions of test structure and the low temperature stress condition used. Vacancy migration under the electromigration stress conditions was considered along with the vacancy migration induced stress evolution. A simple void growth model was used which assumes voids start to form when vacancies reach a critical level. Increase of vacancies in a localized region increases the resistance of the metal line. Considering a 10% increase in resistance as a failure criterion, the distributions of failure times were obtained for given electromigration stress conditions. Bimodal/multimodal failure distributions were obtained as a result. The sigma values were slightly lower than the ones commonly observed from experiments. The anisotropy of the elastic moduli of copper leads to the development of significantly different stress values which are dependent on the orientation of the grains. This results in some grains having higher normal stress than the others. This grain orientation dependent normal stress can reach a critical stress necessary to induce delamination at the copper and cap interface. Time taken to reach critical stress was considered as time to fail and distributions of failure times were obtained for structures with different grain orientations in the microstructure for different critical stress values. The sigma values of the failure distributions thus obtained for different constant critical stress values had a strong dependence of on the critical stress. It is therefore critical to use the appropriate critical stress value for the delamination of copper and cap interface. The critical stress necessary to overcome the local adhesion of the copper and the cap material interface is dependent on grain orientation of the copper. Simulations were carried out by considering grain orientation dependent critical normal stress values as failure criteria. The sigma value thus obtained with selected critical stress values were comparable to sigma values commonly observed from experiments.

From mantle peridotites to hybrid troctolites: Textural, structural and geochemical evolution during multi-stage melt-rock interaction history

NASA Astrophysics Data System (ADS)

Basch, V.; Rampone, E.; Crispini, L.; Ferrando, C.; Ildefonse, B.; Godard, M.

2017-12-01

Recent studies investigate the replacive formation of hybrid troctolites from mantle peridotites after multiple stages of melt-rock reactions. However, none of these studies are conducted in a field-controlled geological setting displaying the clear evolution from peridotite to dunite to troctolite. We investigated the Mt.Maggiore and Erro Tobbio ophiolitic peridotites. They both preserve structural and chemical records of two distinct melt-rock interaction stages, from a reactive melt percolation at spinel facies to plagioclase-bearing melt impregnation at shallower lithospheric depths. We performed EBSD and in situ geochemical analyses to document the textural, structural and geochemical variations of the olivine matrix during melt-rock interactions and the associated evolution from peridotite to dunite to troctolite. The olivine-saturated reactive melt percolation leads to the dissolution of mantle pyroxenes in peridotite, and to the formation of replacive dunite. At shallower level, melt impregnation leads to the crystallization of plagioclase in the dunite, and to the formation of hybrid troctolite. The latter is characterized by textural, structural and geochemical features acquired during dunitization and impregnation processes. We documented a textural evolution of the olivine matrix (decrease in grain area, tortuosity and aspect ratio) during impregnation, with a progressive corrosion of mantle olivines by a reactive melt. As a result, olivine in the hybrid troctolites occurs both as coarse deformed relicts and disrupted undeformed grains. During melt-rock interactions, the variation in olivine Crystallographic Preferred Orientation is related to the local melt/rock ratio involved in the percolation process. At high melt/rock ratio, a change from axial-[100] to axial-[010] is observed, with the disaggregation of the solid matrix. REE-enriched compositions are observed in olivine of dunites and troctolites. A geochemical modeling of melt-rock interactions (Plate Model) fits the observed evolution of modal composition with the measured trace element composition variability. The combined field, structural, and geochemical investigation of the evolution from a mantle protolith to the product of the reactions truly supports the hybrid origin of an olivine-rich troctolite.

A characterization of the coupled evolution of grain fabric and pore space using complex networks: Pore connectivity and optimized flows in the presence of shear bands

NASA Astrophysics Data System (ADS)

Russell, Scott; Walker, David M.; Tordesillas, Antoinette

2016-03-01

A framework for the multiscale characterization of the coupled evolution of the solid grain fabric and its associated pore space in dense granular media is developed. In this framework, a pseudo-dual graph transformation of the grain contact network produces a graph of pores which can be readily interpreted as a pore space network. Survivability, a new metric succinctly summarizing the connectivity of the solid grain and pore space networks, measures material robustness. The size distribution and the connectivity of pores can be characterized quantitatively through various network properties. Assortativity characterizes the pore space with respect to the parity of the number of particles enclosing the pore. Multiscale clusters of odd parity versus even parity contact cycles alternate spatially along the shear band: these represent, respectively, local jamming and unjamming regions that continually switch positions in time throughout the failure regime. Optimal paths, established using network shortest paths in favor of large pores, provide clues on preferential paths for interstitial matter transport. In systems with higher rolling resistance at contacts, less tortuous shortest paths thread through larger pores in shear bands. Notably the structural patterns uncovered in the pore space suggest that more robust models of interstitial pore flow through deforming granular systems require a proper consideration of the evolution of in situ shear band and fracture patterns - not just globally, but also inside these localized failure zones.

Microstructure Evolution and Mechanical Properties of High-Speed Friction Stir Welded Aluminum Alloy Thin Plate Joints

NASA Astrophysics Data System (ADS)

Liu, Fenjun; Fu, Li; Chen, Haiyan

2018-06-01

Sound friction stir welded (FSW) joints of 6061-T6 aluminum alloy sheets with an 0.8 mm thickness were obtained at conventional speed (2000 rpm, 300 mm/min) and high speed (11,000 rpm, 1500 mm/min). The recrystallization mechanism, precipitate evolution, mechanical properties and fracture behavior were investigated in detail. Microstructure analyses revealed that the grain structure evolution in the nugget zone (NZ) was dominated by continuous dynamic recrystallization. In the process of FSW, high speed facilitates the formation of finer equiaxed recrystallized grains, higher density of dislocations and substructures, and a larger number of precipitates in the NZ compared to the conventional speed, which further significantly improves the hardness and tensile strength of the joints. The maximum tensile strength was obtained with 292.6 MPa, 83.2% for the 6061-T6 aluminum alloy and 122.6% for the conventional-speed FSW joints. This work provides an effective method for preparing FSW aluminum alloy thin plate joints with excellent mechanical properties.

Structural evolution dynamics in fusion of sumanenes and corannulenes: defects formation and self-healing mechanism

NASA Astrophysics Data System (ADS)

Sorkin, Anastassia; Su, Haibin

2018-06-01

The fusion processes of structures consisting of various combinations between sumanene and corannulene, leading to the formation of graphene nanoribbons (GNRs) under heating are simulated by density-functional-based tight-binding molecular dynamics. Distinct stages are unraveled in the course of GNR formation. Firstly, the carbon fragments coalescence into highly strained framework. Secondly, structural reconstruction invokes breaking most strained bonds to form a GNR structure containing numerous defects. Lastly, defects are remedied by the delicate ‘edge-facilitated self-healing’ process through two synergized edge-related effects: elevated mobility of defects and promoted structure reconstructions owing to the remarkable dynamics associated with edges. Importantly, detailed dynamics in the course of forming GNRs with defects and grain boundaries simulated in this work is valuable to provide better understanding at the atomistic scale of defect formation as well as self-healing in the context of the sp2 carbon network. In particular, edges play important roles in not only generating Stone–Wales (SW), 5-8-5 types of defects, 8-5-5-8 and pentagon–heptagon grain boundaries. In addition, our simulations predict the existence of one novel defect, coined as the Inverse SW defect, which is to be confirmed in future experimental studies. This study of dynamic structural evolution reveals that edges are prone to intrinsic and extrinsic modifications such as atomic-scale defects, structural distortions and inhomogeneity.

Universal scaling of grain size distributions during dislocation creep

NASA Astrophysics Data System (ADS)

Aupart, Claire; Dunkel, Kristina G.; Angheluta, Luiza; Austrheim, Håkon; Ildefonse, Benoît; Malthe-Sørenssen, Anders; Jamtveit, Bjørn

2017-04-01

Grain size distributions are major sources of information about the mechanisms involved in ductile deformation processes and are often used as paleopiezometers (stress gauges). Several factors have been claimed to influence the stress vs grain size relation, including the water content (Jung & Karato 2001), the temperature (De Bresser et al., 2001), the crystal orientation (Linckens et al., 2016), the presence of second phase particles (Doherty et al. 1997; Cross et al., 2015), and heterogeneous stress distributions (Platt & Behr 2011). However, most of the studies of paleopiezometers have been done in the laboratory under conditions different from those in natural systems. It is therefore essential to complement these studies with observations of naturally deformed rocks. We have measured olivine grain sizes in ultramafic rocks from the Leka ophiolite in Norway and from Alpine Corsica using electron backscatter diffraction (EBSD) data, and calculated the corresponding probability density functions. We compared our results with samples from other studies and localities that have formed under a wide range of stress and strain rate conditions. All distributions collapse onto one universal curve in a log-log diagram where grain sizes are normalized by the mean grain size of each sample. The curve is composed of two straight segments with distinct slopes for grains above and below the mean grain size. These observations indicate that a surprisingly simple and universal power-law scaling describes the grain size distribution in ultramafic rocks during dislocation creep irrespective of stress levels and strain rates. Cross, Andrew J., Susan Ellis, and David J. Prior. 2015. « A Phenomenological Numerical Approach for Investigating Grain Size Evolution in Ductiley Deforming Rocks ». Journal of Structural Geology 76 (juillet): 22-34. doi:10.1016/j.jsg.2015.04.001. De Bresser, J. H. P., J. H. Ter Heege, and C. J. Spiers. 2001. « Grain Size Reduction by Dynamic Recrystallization: Can It Result in Major Theological Weakening? » International Journal of Earth Sciences 90 (1): 28-45. Doherty, R. D., D. A. Hughes, F. J. Humphreys, J. J. Jonas, D. J. Jensen, M. E. Kassner, W. E. King, T. R. McNelley, H. J. McQueen, and A. D. Rollett. 1997. « Current Issues in Recrystallization: A Review ». Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing 238 (2): 219-74. doi:10.1016/S0921-5093(97)00424-3. Jung, H., and S. I. Karato. 2001. « Effects of Water on Dynamically Recrystallized Grain-Size of Olivine ». Journal of Structural Geology 23 (9): 1337-44. doi:10.1016/S0191-8141(01)00005-0. Linckens, J., G. Zulauf, and J. Hammer. 2016. « Experimental Deformation of Coarse-Grained Rock Salt to High Strain ». Journal of Geophysical Research-Solid Earth 121 (8): 6150-71. doi:10.1002/2016JB012890. Platt, J.P., and W.M. Behr. 2011. « Grainsize Evolution in Ductile Shear Zones: Implications for Strain Localization and the Strength of the Lithosphere ». Journal of Structural Geology 33 (4): 537-50. doi:10.1016/j.jsg.2011.01.018.

Laboratory Experiments on the Low-temperature Formation of Carbonaceous Grains in the ISM

NASA Astrophysics Data System (ADS)

Fulvio, Daniele; Góbi, Sándor; Jäger, Cornelia; Kereszturi, Ákos; Henning, Thomas

2017-11-01

The life cycle of cosmic dust grains is far from being understood and the origin and evolution of interstellar medium (ISM) grains is still under debate. In the ISM, the cosmic dust destruction rate is faster than the production rate by stellar sources. However, observations of ISM refractory matter suggest that to maintain a steady amount of cosmic grains, some supplementary production mechanism takes place. In this context, we aimed to study possible reformation mechanisms of cosmic grains taking place at low temperature directly in the ISM. The low-temperature condensation of carbonaceous materials has been investigated in experiments mimicking the ISM conditions. Gas-phase carbonaceous precursors created by laser ablation of graphite were forced to accrete on cold substrates (T ≈ 10 K) representing surviving dust grains. The growing and evolution of the condensing carbonaceous precursors have been monitored by MIR and UV spectroscopy under a number of experimental scenarios. For the first time, the possibility to form ISM carbonaceous grains in situ is demonstrated. The condensation process is governed by carbon chains that first condense into small carbon clusters and finally into more stable carbonaceous materials, of which structural characteristics are comparable to the material formed in gas-phase condensation experiments at very high temperature. We also show that the so-formed fullerene-like carbonaceous material is transformed into a more ordered material under VUV processing. The cold condensation mechanisms discussed here can give fundamental clues to fully understand the balance between the timescale for dust injection, destruction, and reformation in the ISM.

Accelerated rates of protein evolution in barley grain and pistil biased genes might be legacy of domestication.

PubMed

Shi, Tao; Dimitrov, Ivan; Zhang, Yinling; Tax, Frans E; Yi, Jing; Gou, Xiaoping; Li, Jia

2015-10-01

Traits related to grain and reproductive organs in grass crops have been under continuous directional selection during domestication. Barley is one of the oldest domesticated crops in human history. Thus genes associated with the grain and reproductive organs in barley may show evidence of dramatic evolutionary change. To understand how artificial selection contributes to protein evolution of biased genes in different barley organs, we used Digital Gene Expression analysis of six barley organs (grain, pistil, anther, leaf, stem and root) to identify genes with biased expression in specific organs. Pairwise comparisons of orthologs between barley and Brachypodium distachyon, as well as between highland and lowland barley cultivars mutually indicated that grain and pistil biased genes show relatively higher protein evolutionary rates compared with the median of all orthologs and other organ biased genes. Lineage-specific protein evolutionary rates estimation showed similar patterns with elevated protein evolution in barley grain and pistil biased genes, yet protein sequences generally evolve much faster in the lowland barley cultivar. Further functional annotations revealed that some of these grain and pistil biased genes with rapid protein evolution are related to nutrient biosynthesis and cell cycle/division. Our analyses provide insights into how domestication differentially shaped the evolution of genes specific to different organs of a crop species, and implications for future functional studies of domestication genes.

Implications of Grain Size Evolution for the Effective Stress Exponent in Ice

NASA Astrophysics Data System (ADS)

Behn, M. D.; Goldsby, D. L.; Hirth, G.

2016-12-01

Viscous flow in ice has typically been described by the Glen law—a non-Newtonian, power-law relationship between stress and strain-rate with a stress exponent n 3. The Glen law is attributed to grain-size-insensitive dislocation creep; however, laboratory and field studies demonstrate that deformation in ice is strongly dependent on grain size. This has led to the hypothesis that at sufficiently low stresses, ice flow is controlled by grain boundary sliding [1], which explicitly incorporates the grain-size dependence of ice rheology. Yet, neither dislocation creep (n 4), nor grain boundary sliding (n 1.8), have stress exponents that match the value of n 3 for the Glen law. Thus, although the Glen law provides an approximate description of ice flow in glaciers and ice sheets, its functional form cannot be explained by a single deformation mechanism. Here we seek to understand the origin of the n 3 dependence of the Glen law through a new model for grain-size evolution in ice. In our model, grain size evolves in response to the balance between dynamic recrystallization and grain growth. To simulate these processes we adapt the "wattmeter" [2], originally developed within the solid-Earth community to quantify grain size in crustal and mantle rocks. The wattmeter posits that grain size is controlled by a balance between the mechanical work required for grain growth and dynamic grain size reduction. The evolution of grain size in turn controls the relative contributions of dislocation creep and grain boundary sliding, and thus the effective stress exponent for ice flow. Using this approach, we first benchmark our grain size evolution model on experimental data and then calculate grain size in two end-member scenarios: (1) as a function of depth within an ice-sheet, and (2) across an ice-stream margin. We show that the calculated grain sizes match ice core observations for the interior of ice sheets. Furthermore, owing to the influence of grain size on strain rate, the variation in grain size with deformation conditions results in an effective stress exponent intermediate between grain boundary sliding and dislocation creep. [1] Goldsby & Kohlstedt, JGR, 2001; [2] Austin & Evans, Geology, 1997

Microstructural Evolution at Micro/Meso-Scale in an Ultrafine-Grained Pure Aluminum Processed by Equal-Channel Angular Pressing with Subsequent Annealing Treatment.

PubMed

Xu, Jie; Li, Jianwei; Zhu, Xiaocheng; Fan, Guohua; Shan, Debin; Guo, Bin

2015-11-04

Micro-forming with ultrafine-grained (UFG) materials is a promising direction for the fabrication of micro-electro-mechanical systems (MEMS) components due to the improved formability, good surface quality, and excellent mechanical properties it provides. In this paper, micro-compression tests were performed using UFG pure aluminum processed by equal-channel angular pressing (ECAP) with subsequent annealing treatment. Microstructural evolution was investigated by electron back-scattered diffraction (EBSD) and transmission electron microscopy (TEM). The results show that microstructural evolutions during compression tests at the micro/meso-scale in UFG pure Al are absolutely different from the coarse-grained (CG) materials. A lot of low-angle grain boundaries (LAGBs) and recrystallized fine grains are formed inside of the original large grains in CG pure aluminum after micro-compression. By contrast, ultrafine grains are kept with few sub-grain boundaries inside the grains in UFG pure aluminum, which are similar to the original microstructure before micro-compression. The surface roughness and coordinated deformation ability can be signmicrostructure; micro/meso-forming; ultrafine grains; ECAP; aluminumificantly improved with UFG pure aluminum, which demonstrates that the UFG materials have a strong potential application in micro/meso-forming.

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.

Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry

DOE PAGES

Abdeljawad, Fadi; Foiles, Stephen M.

2016-05-04

The study of materials interfaces dates back over a century. In solid systems and from an engineering perspective, free surfaces and internal (grain and/or phase) boundaries influence a wide range of properties, such as thermal, electrical and optical transport, and mechanical ones. The properties and the role of interfaces has been discussed extensively in various reviews such as by Sutton and Balluffi. As the characteristic feature size of a materials system (i.e., grain size) is decreased to the nanometer scale, interface-driven physics is expected to dominate due to the increased density of such planar defects. Moreover, interfacial attributes, thermodynamics, andmore » mobility play a key role in phase transformations, such as solidification dynamics and structural transitions in solids, and in homogenization and microstructural evolution processes, such as grain growth, coarsening, and recrystallization. In summary, the set of articles published in this special topic titled: “Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry” covers topics related to microstructure evolution, segregation/adsorption phenomena and interface interactions with other materials defects.« less

Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry

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

Abdeljawad, Fadi; Foiles, Stephen M.

The study of materials interfaces dates back over a century. In solid systems and from an engineering perspective, free surfaces and internal (grain and/or phase) boundaries influence a wide range of properties, such as thermal, electrical and optical transport, and mechanical ones. The properties and the role of interfaces has been discussed extensively in various reviews such as by Sutton and Balluffi. As the characteristic feature size of a materials system (i.e., grain size) is decreased to the nanometer scale, interface-driven physics is expected to dominate due to the increased density of such planar defects. Moreover, interfacial attributes, thermodynamics, andmore » mobility play a key role in phase transformations, such as solidification dynamics and structural transitions in solids, and in homogenization and microstructural evolution processes, such as grain growth, coarsening, and recrystallization. In summary, the set of articles published in this special topic titled: “Interface-Driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry” covers topics related to microstructure evolution, segregation/adsorption phenomena and interface interactions with other materials defects.« less

Three dimensional modelling of grain boundary interaction and evolution during directional solidification of multi-crystalline silicon

NASA Astrophysics Data System (ADS)

Jain, T.; Lin, H. K.; Lan, C. W.

2018-03-01

The development of grain structures during directional solidification of multi-crystalline silicon (mc-Si) plays a crucial role in the materials quality for silicon solar cells. Three dimensional (3D) modelling of the grain boundary (GB) interaction and evolution based on phase fields by considering anisotropic GB energy and mobility for mc-Si is carried out for the first time to elucidate the process. The energy and mobility of GBs are allowed to depend on misorientation and the GB plane. To examine the correctness of our method, the known the coincident site lattice (CSL) combinations such as (∑ a + ∑ b → ∑ a × b) or (∑ a + ∑ b → ∑ a / b) are verified. We frther discuss how to use the GB normal to characterize a ∑ 3 twin GB into a tilt or a twist one, and show the interaction between tilt and twist ∑ 3 twin GBs. Two experimental scenarios are considered for comparison and the results are in good agreement with the experiments as well as the theoretical predictions.

Vacancy-Induced Formation and Growth of Inversion Domains in Transition-Metal Dichalcogenide Monolayer

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

Lin, Junhao; Pantelides, Sokrates T.; Zhou, Wu

2015-04-23

Sixty degree grain boundaries in semiconducting transition-metal dichalcogenide (TMDC) monolayers have been shown to act as conductive channels that have profound influence on both the transport properties and exciton behavior of the monolayers. We show that annealing TMDC monolayers at high temperature induces the formation of large-scale inversion domains surrounded by such 60° grain boundaries. To study the formation mechanism of such inversion domains, we use the electron beam in a scanning transmission electron microscope to activate the dynamic process within pristine TMDC monolayers. Moreover, the electron beam acts to generate chalcogen vacancies in TMDC monolayers and provide energy formore » them to undergo structural evolution. We directly visualize the nucleation and growth of such inversion domains and their 60° grain boundaries atom-by-atom within a MoSe 2 monolayer and explore their formation mechanism. Combined with density functional theory, we conclude that the nucleation of the inversion domains and migration of their 60° grain boundaries are driven by the collective evolution of Se vacancies and subsequent displacement of Mo atoms, where such a dynamical process reduces the vacancy-induced lattice shrinkage and stabilizes the system. Our results can help to understand the performance of such materials under severe conditions (e.g., high temperature).« less

Carbon stardust: From soot to diamonds

NASA Technical Reports Server (NTRS)

Tielens, Alexander G. G. M.

1990-01-01

The formation of carbon dust in the outflow from stars and the subsequent evolution of this so called stardust in the interstellar medium is reviewed. The chemical and physical processes that play a role in carbon stardust formation are very similar to those occurring in sooting flames. Based upon extensive laboratory studies of the latter, the structure and physical and chemical properties of carbon soot are reviewed and possible chemical pathways towards carbon stardust are discussed. Grain-grain collisions behind strong interstellar shocks provide the high pressures required to transform graphite and amorphous carbon grains into diamond. This process is examined and the properties of shock-synthesized diamonds are reviewed. Finally, the interrelationship between carbon stardust and carbonaceous meteorites is briefly discussed.

Microstructural investigations on carbonate fault core rocks in active extensional fault zones from the central Apennines (Italy)

NASA Astrophysics Data System (ADS)

Cortinovis, Silvia; Balsamo, Fabrizio; Storti, Fabrizio

2017-04-01

The study of the microstructural and petrophysical evolution of cataclasites and gouges has a fundamental impact on both hydraulic and frictional properties of fault zones. In the last decades, growing attention has been payed to the characterization of carbonate fault core rocks due to the nucleation and propagation of coseismic ruptures in carbonate successions (e.g., Umbria-Marche 1997, L'Aquila 2009, Amatrice 2016 earthquakes in Central Apennines, Italy). Among several physical parameters, grain size and shape in fault core rocks are expected to control the way of sliding along the slip surfaces in active fault zones, thus influencing the propagation of coseismic ruptures during earthquakes. Nevertheless, the role of grain size and shape distribution evolution in controlling the weakening or strengthening behavior in seismogenic fault zones is still not fully understood also because a comprehensive database from natural fault cores is still missing. In this contribution, we present a preliminary study of seismogenic extensional fault zones in Central Apennines by combining detailed filed mapping with grain size and microstructural analysis of fault core rocks. Field mapping was aimed to describe the structural architecture of fault systems and the along-strike fault rock distribution and fracturing variations. In the laboratory we used a Malvern Mastersizer 3000 granulometer to obtain a precise grain size characterization of loose fault rocks combined with sieving for coarser size classes. In addition, we employed image analysis on thin sections to quantify the grain shape and size in cemented fault core rocks. The studied fault zones consist of an up to 5-10 m-thick fault core where most of slip is accommodated, surrounded by a tens-of-meters wide fractured damage zone. Fault core rocks consist of (1) loose to partially cemented breccias characterized by different grain size (from several cm up to mm) and variable grain shape (from very angular to sub-rounded), and (2) very fine-grained gouges (< 1 mm) localized along major and minor mirror-like slip surfaces. Damage zones mostly consist of fractured rocks and, locally, pulverized rocks. Collectively, field observations and laboratory analyses indicate that within the fault cores of the studied fault zones, grain size progressively decreases approaching the master slip surfaces. Furthermore, grain shape changes from very angular to sub-rounded clasts moving toward the master slip surfaces. These features suggest that the progressive evolution of grain size and shape distributions within fault cores may have determined the development of strain localization by the softening and cushioning effects of smaller particles in loose fault rocks.

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

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

Bai, Qin; Zhao, Qing

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

Mechanical Characterization of Partially Crystallized Sphere Packings

NASA Astrophysics Data System (ADS)

Hanifpour, M.; Francois, N.; Vaez Allaei, S. M.; Senden, T.; Saadatfar, M.

2014-10-01

We study grain-scale mechanical and geometrical features of partially crystallized packings of frictional spheres, produced experimentally by a vibrational protocol. By combining x-ray computed tomography, 3D image analysis, and discrete element method simulations, we have access to the 3D structure of internal forces. We investigate how the network of mechanical contacts and intergranular forces change when the packing structure evolves from amorphous to near perfect crystalline arrangements. We compare the behavior of the geometrical neighbors (quasicontracts) of a grain to the evolution of the mechanical contacts. The mechanical coordination number Zm is a key parameter characterizing the crystallization onset. The high fluctuation level of Zm and of the force distribution in highly crystallized packings reveals that a geometrically ordered structure still possesses a highly random mechanical backbone similar to that of amorphous packings.

An assessment of ultra fine grained 316L stainless steel for implant applications.

PubMed

Muley, Sachin Vijay; Vidvans, Amey N; Chaudhari, Gajanan P; Udainiya, Sumit

2016-01-01

Ultra fine-grained metals obtained by severe plastic deformation exhibit higher specific strength that is useful for many applications and show promise for use as body implants. This work studied the microstructural evolution, mechanical and sliding wear behavior and corrosion behavior of 316L stainless steel warm multi axially forged at 600°C. Microstructural evolution studied using electron backscatter diffraction technique and transmission electron microscopy confirmed the formation of ultra fine-grained structure. Average grain size reduced from 30μm to 0.86μm after nine strain steps. A combination of Hall-Petch strengthening and strain hardening increased the hardness. Improved sliding wear resistance is attributed to a transition from micro cutting to wedge-forming mode of abrasive wear. Load-bearing orthopedic implants often fail from pitting initiated corrosion fatigue. Potentiodynamic tests, cyclic polarization, and FeCl3 immersion tests revealed enhanced pitting resistance of forged steel that is confirmed by Mott-Schottky analysis. This is ascribed to an increase in the grain boundary volume, and homogenization of pit inducing impurities and non-metallic phases due to severe deformation, which influenced the passive film properties. These model studies on 316L steel demonstrate that severely deformed ultra fine-grained metals have potential to deliver improved implant performance. This model study on 316L steel demonstrates that severely deformed ultra fine-grained (UFG) metals have potential to deliver improved load-bearing implant performance. It is as interesting as is unclear as to how such severely deformed UFG material behaves electrochemically in the corrosive body fluids. This work is on studying the inter-relationship between structure, and mechanical, wear, and corrosion behavior of warm multiaxially forged (MAFed) UFG 316L stainless steel. Warm MAF is a bulk processing method capable of yielding large volume of UFG material and is an easily readily adaptable technique in industry. It can be a promising alternative to the expensive metallic alloys available for implant applications. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Analysis of Structure Destroyed Metal after Diffusion Heat Treatment

NASA Astrophysics Data System (ADS)

Apasov, A. M.; Kozlov, E. V.; Fedoseev, S. N.

2016-08-01

It was accomplished research of the structure steel which carbonitriding and subsequent heat treatment was exposed for its cause's destruction to discover. For measure quality field of metal were used methods optical, appearing electronic microscopy and X-ray diffraction. Therefore one of the principal problems were research phase composition, grain and dislocation structure of a metal the gear teeth. Mechanism of rising hear cracks in the gear teeth on different stages her making and their trajectories of evolution were determined.

A thermally activated dislocation-based constitutive flow model of nanostructured FCC metals involving microstructural evolution

NASA Astrophysics Data System (ADS)

Zhang, J. Y.; Li, J.; Wu, K.; Liu, G.; Sun, J.

2017-03-01

Due to their interface and nanoscale effects associated with structural peculiarities of nanostructured, face-centered-cubic (FCC) ultrafine-grained/nanocrystalline (UFG/NC) metals, in particular nanotwinned (NT) metals exhibit unexpected deformation behaviours fundamentally different from their coarse-grained (CG) counterparts. These internal boundaries, including grain boundaries and twin boundaries in UFG/NC metals, strongly interact with dislocations as deformation barriers to enhance the strength and strain rate sensitivity (SRS) of materials on the one hand, and play critical roles in their microstructural evolution as dislocation sources/sinks to sustain plastic deformation on the other. In this work, building on the findings of twin softening and (de)twinning-mediated grain growth/refinement in stretched free-standing NT-Ni foils, a constitutive model based on the thermally activated depinning process of dislocations residing in boundaries has been proposed to predict the steady-state grain size and simulate the plastic flow of NT-Ni, by considering the blocking effects of nanotwins on the absorption of dislocations emitted from boundaries. It is uncovered that the stress ratio (ηstress) of effective-to-internal stress can be taken as a signature to estimate the stability of microstructures during plastic deformation. This model not only reproduces well the plastic flow of the stretched NT-Ni foils as well as reported NT-Cu and the steady-state grain size, but also sheds light on the size-dependent SRS and failure of FCC UFG/NC metals. This theoretical framework offers the opportunity to tune the microstructures in the polycrystalline materials to synthesise high performance engineering materials with high strength and great ductility.

Characterization of the Fe-Co-1.5V soft ferromagnetic alloy processed by Laser Engineered Net Shaping (LENS)

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

Kustas, Andrew B.; Susan, Donald F.; Johnson, Kyle L.

Processing of the low workability Fe-Co-1.5V (Hiperco® equivalent) alloy is demonstrated using the Laser Engineered Net Shaping (LENS) metals additive manufacturing technique. As an innovative and highly localized solidification process, LENS is shown to overcome workability issues that arise during conventional thermomechanical processing, enabling the production of bulk, near net-shape forms of the Fe-Co alloy. Bulk LENS structures appeared to be ductile with no significant macroscopic defects. Atomic ordering was evaluated and significantly reduced in as-built LENS specimens relative to an annealed condition, tailorable through selection of processing parameters. Fine equiaxed grain structures were observed in as-built specimens following solidification,more » which then evolved toward a highly heterogeneous bimodal grain structure after annealing. The microstructure evolution in Fe-Co is discussed in the context of classical solidification theory and selective grain boundary pinning processes. In conclusion, magnetic properties were also assessed and shown to fall within the extremes of conventionally processed Hiperco® alloys.« less

Characterization of the Fe-Co-1.5V soft ferromagnetic alloy processed by Laser Engineered Net Shaping (LENS)

DOE PAGES

Kustas, Andrew B.; Susan, Donald F.; Johnson, Kyle L.; ...

2018-02-21

Processing of the low workability Fe-Co-1.5V (Hiperco® equivalent) alloy is demonstrated using the Laser Engineered Net Shaping (LENS) metals additive manufacturing technique. As an innovative and highly localized solidification process, LENS is shown to overcome workability issues that arise during conventional thermomechanical processing, enabling the production of bulk, near net-shape forms of the Fe-Co alloy. Bulk LENS structures appeared to be ductile with no significant macroscopic defects. Atomic ordering was evaluated and significantly reduced in as-built LENS specimens relative to an annealed condition, tailorable through selection of processing parameters. Fine equiaxed grain structures were observed in as-built specimens following solidification,more » which then evolved toward a highly heterogeneous bimodal grain structure after annealing. The microstructure evolution in Fe-Co is discussed in the context of classical solidification theory and selective grain boundary pinning processes. In conclusion, magnetic properties were also assessed and shown to fall within the extremes of conventionally processed Hiperco® alloys.« less

A New Paradigm For Modeling Fault Zone Inelasticity: A Multiscale Continuum Framework Incorporating Spontaneous Localization and Grain Fragmentation.

NASA Astrophysics Data System (ADS)

Elbanna, A. E.

2015-12-01

The brittle portion of the crust contains structural features such as faults, jogs, joints, bends and cataclastic zones that span a wide range of length scales. These features may have a profound effect on earthquake nucleation, propagation and arrest. Incorporating these existing features in modeling and the ability to spontaneously generate new one in response to earthquake loading is crucial for predicting seismicity patterns, distribution of aftershocks and nucleation sites, earthquakes arrest mechanisms, and topological changes in the seismogenic zone structure. Here, we report on our efforts in modeling two important mechanisms contributing to the evolution of fault zone topology: (1) Grain comminution at the submeter scale, and (2) Secondary faulting/plasticity at the scale of few to hundreds of meters. We use the finite element software Abaqus to model the dynamic rupture. The constitutive response of the fault zone is modeled using the Shear Transformation Zone theory, a non-equilibrium statistical thermodynamic framework for modeling plastic deformation and localization in amorphous materials such as fault gouge. The gouge layer is modeled as 2D plane strain region with a finite thickness and heterogeenous distribution of porosity. By coupling the amorphous gouge with the surrounding elastic bulk, the model introduces a set of novel features that go beyond the state of the art. These include: (1) self-consistent rate dependent plasticity with a physically-motivated set of internal variables, (2) non-locality that alleviates mesh dependence of shear band formation, (3) spontaneous evolution of fault roughness and its strike which affects ground motion generation and the local stress fields, and (4) spontaneous evolution of grain size and fault zone fabric.

In-situ Indentation and Correlated Precession Electron Diffraction Analysis of a Polycrystalline Cu Thin Film

NASA Astrophysics Data System (ADS)

Guo, Qianying; Thompson, Gregory B.

2018-04-01

In-situ TEM nanoindentation of a polycrystalline Cu film was cross-correlated with precession electron diffraction (PED) to quantify the microstructural evolution. The use of PED is shown to clearly reveal features, such as grain size, that are easily masked by diffraction contrast created by the deformation. Using PED, the accompanying grain refinement and change in texture as well as the preservation of specific grain boundary structures, including a ∑3 boundary, under the indent impression were quantified. The nucleation of dislocations, evident in low-angle grain boundary formations, was also observed under the indent. PED quantification of texture gradients created by the indentation process linked well to bend contours observed in the bright-field images. Finally, PED enabled generating a local orientation spread map that gave an approximate estimation of the spatial distribution of strain created by the indentation impression.

Prediction of the Grain-Microstructure Evolution Within a Friction Stir Welding (FSW) Joint via the Use of the Monte Carlo Simulation Method

NASA Astrophysics Data System (ADS)

Grujicic, M.; Ramaswami, S.; Snipes, J. S.; Avuthu, V.; Galgalikar, R.; Zhang, Z.

2015-09-01

A thermo-mechanical finite element analysis of the friction stir welding (FSW) process is carried out and the evolution of the material state (e.g., temperature, the extent of plastic deformation, etc.) monitored. Subsequently, the finite-element results are used as input to a Monte-Carlo simulation algorithm in order to predict the evolution of the grain microstructure within different weld zones, during the FSW process and the subsequent cooling of the material within the weld to room temperature. To help delineate different weld zones, (a) temperature and deformation fields during the welding process, and during the subsequent cooling, are monitored; and (b) competition between the grain growth (driven by the reduction in the total grain-boundary surface area) and dynamic-recrystallization grain refinement (driven by the replacement of highly deformed material with an effectively "dislocation-free" material) is simulated. The results obtained clearly revealed that different weld zones form as a result of different outcomes of the competition between the grain growth and grain refinement processes.

Linking Initial Microstructure to ORR Related Property Degradation in SOFC Cathode: A Phase Field Simulation

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

Lei, Y.; Cheng, T. -L.; Wen, Y. H.

Microstructure evolution driven by thermal coarsening is an important factor for the loss of oxygen reduction reaction rates in SOFC cathode. In this work, the effect of an initial microstructure on the microstructure evolution in SOFC cathode is investigated using a recently developed phase field model. Specifically, we tune the phase fraction, the average grain size, the standard deviation of the grain size and the grain shape in the initial microstructure, and explore their effect on the evolution of the grain size, the density of triple phase boundary, the specific surface area and the effective conductivity in LSM-YSZ cathodes. Itmore » is found that the degradation rate of TPB density and SSA of LSM is lower with less LSM phase fraction (with constant porosity assumed) and greater average grain size, while the degradation rate of effective conductivity can also be tuned by adjusting the standard deviation of grain size distribution and grain aspect ratio. The implication of this study on the designing of an optimal initial microstructure of SOFC cathodes is discussed.« less

Linking Initial Microstructure to ORR Related Property Degradation in SOFC Cathode: A Phase Field Simulation

DOE PAGES

Lei, Y.; Cheng, T. -L.; Wen, Y. H.

2017-07-05

Microstructure evolution driven by thermal coarsening is an important factor for the loss of oxygen reduction reaction rates in SOFC cathode. In this work, the effect of an initial microstructure on the microstructure evolution in SOFC cathode is investigated using a recently developed phase field model. Specifically, we tune the phase fraction, the average grain size, the standard deviation of the grain size and the grain shape in the initial microstructure, and explore their effect on the evolution of the grain size, the density of triple phase boundary, the specific surface area and the effective conductivity in LSM-YSZ cathodes. Itmore » is found that the degradation rate of TPB density and SSA of LSM is lower with less LSM phase fraction (with constant porosity assumed) and greater average grain size, while the degradation rate of effective conductivity can also be tuned by adjusting the standard deviation of grain size distribution and grain aspect ratio. The implication of this study on the designing of an optimal initial microstructure of SOFC cathodes is discussed.« less

CAFE simulation of columnar-to-equiaxed transition in Al-7wt%Si alloys directionally solidified under microgravity

NASA Astrophysics Data System (ADS)

Liu, D. R.; Mangelinck-Noël, N.; Gandin, Ch-A.; Zimmermann, G.; Sturz, L.; Nguyen Thi, H.; Billia, B.

2016-03-01

A two-dimensional multi-scale cellular automaton - finite element (CAFE) model is used to simulate grain structure evolution and microsegregation formation during solidification of refined Al-7wt%Si alloys under microgravity. The CAFE simulations are first qualitatively compared with the benchmark experimental data under microgravity. Qualitative agreement is obtained for the position of columnar to equiaxed transition (CET) and the CET transition mode (sharp or progressive). Further comparisons of the distributions of grain elongation factor and equivalent diameter are conducted and reveal a fair quantitative agreement.

Kinetic model for thin film stress including the effect of grain growth

NASA Astrophysics Data System (ADS)

Chason, Eric; Engwall, A. M.; Rao, Z.; Nishimura, T.

2018-05-01

Residual stress during thin film deposition is affected by the evolution of the microstructure. This can occur because subsurface grain growth directly induces stress in the film and because changing the grain size at the surface affects the stress in new layers as they are deposited. We describe a new model for stress evolution that includes both of these effects. It is used to explain stress in films that grow with extensive grain growth (referred to as zone II) so that the grain size changes throughout the thickness of the layer as the film grows. Equations are derived for different cases of high or low atomic mobility where different assumptions are used to describe the diffusion of atoms that are incorporated into the grain boundary. The model is applied to measurements of stress and grain growth in evaporated Ni films. A single set of model parameters is able to explain stress evolution in films grown at multiple temperatures and growth rates. The model explains why the slope of the curvature measurements changes continuously with thickness and attributes it to the effect of grain size on new layers deposited on the film.

Modelling the evolution of complex conductivity during calcite precipitation on glass beads

NASA Astrophysics Data System (ADS)

Leroy, Philippe; Li, Shuai; Jougnot, Damien; Revil, André; Wu, Yuxin

2017-04-01

When pH and alkalinity increase, calcite frequently precipitates and hence modifies the petrophysical properties of porous media. The complex conductivity method can be used to directly monitor calcite precipitation in porous media because it is sensitive to the evolution of the mineralogy, pore structure and its connectivity. We have developed a mechanistic grain polarization model considering the electrochemical polarization of the Stern and diffuse layers surrounding calcite particles. Our complex conductivity model depends on the surface charge density of the Stern layer and on the electrical potential at the onset of the diffuse layer, which are computed using a basic Stern model of the calcite/water interface. The complex conductivity measurements of Wu et al. on a column packed with glass beads where calcite precipitation occurs are reproduced by our surface complexation and complex conductivity models. The evolution of the size and shape of calcite particles during the calcite precipitation experiment is estimated by our complex conductivity model. At the early stage of the calcite precipitation experiment, modelled particles sizes increase and calcite particles flatten with time because calcite crystals nucleate at the surface of glass beads and grow into larger calcite grains. At the later stage of the calcite precipitation experiment, modelled sizes and cementation exponents of calcite particles decrease with time because large calcite grains aggregate over multiple glass beads and only small calcite crystals polarize.

Microstructure, Mechanical, and Fatigue Strength of Ti-54M Processed by Rotary Swaging

NASA Astrophysics Data System (ADS)

Al-Khazraji, Hasan; El-Danaf, Ehab; Wollmann, Manfred; Wagner, Lothar

2015-05-01

TIMETAL 54M is a newly developed (α + β) titanium alloy with nominal composition Ti-5Al-4V-0.6Mo-0.4Fe. The alloy can provide a cost benefit over Ti-6Al-4V due to improved machinability and formability. In the present work, evolution of mechanical properties in terms of tensile and hardness values is investigated as a function of deformation degrees imposed via rotary swaging (RS). Microstructure, mechanical properties, and fatigue performance of Ti-54M are investigated after severe plastic deformation by RS conducted at 850 °C and after being subjected to two different post-swaging annealing conditions. Optical microscopy and scanning electron microscopy using electron back scatter diffraction were utilized to document the evolution of the microstructure. Tensile tests were conducted to characterize mechanical properties. RS, to a true strain of 3.0, is found to lead to a marked ultrafine-grained structure of about 1 μm grain size with low content of high angle grain boundaries (HAGBs). Post-swaging heat treatment at 800 °C followed by air cooling did not change the grain size but exhibited high content of HAGBs. Post-swaging heat treatment at 940 °C followed by furnace cooling resulted in a grain size of about 5 μm and enhanced work-hardening capability and ductility, which resulted in less fatigue notch sensitivity, but at the same time lower fatigue strength at 107 cycles.

Dust evolution, a global view I. Nanoparticles, nascence, nitrogen and natural selection … joining the dots

NASA Astrophysics Data System (ADS)

Jones, A. P.

2016-12-01

The role and importance of nanoparticles for interstellar chemistry and beyond is explored within the framework of The Heterogeneous dust Evolution Model for Interstellar Solids (THEMIS), focusing on their active surface chemistry, the effects of nitrogen doping and the natural selection of interesting nanoparticle sub-structures. Nanoparticle-driven chemistry, and in particular the role of intrinsic epoxide-type structures, could provide a viable route to the observed gas phase OH in tenuous interstellar clouds en route to becoming molecular clouds. The aromatic-rich moieties present in asphaltenes probably provide a viable model for the structures present within aromatic-rich interstellar carbonaceous grains. The observed doping of such nanoparticle structures with nitrogen, if also prevalent in interstellar dust, could perhaps have important and observable consequences for surface chemistry and the formation of precursor pre-biotic species.

Spatio-temporal Evolution of Velocity Structure, Concentration and Grain-size Stratification within Experimental Particulate Gravity Flows: Potential Input Parameters for Numerical Models

NASA Astrophysics Data System (ADS)

McCaffrey, W.; Choux, C.; Baas, J.; Haughton, P.

2001-12-01

Little is known about the combined spatio-temporal evolution of velocity structure, concentration and grain size stratification within particulate gravity currents. Yet these data are of primary importance for numerical model validation, prior to application to natural flows, such as pyroclastic density currents and turbidity currents. A comprehensive study was carried out on a series of experimental particulate gravity flows of 5% by volume initial concentration. The sediment analogue was polydisperse silica flour (mean grain size ~8 microns). A uniform 30 liter suspension was prepared in an overhead reservoir, then allowed to drain (in about one minute) into an flume 10 m long and 0.3 m wide, water-filled to a depth of 0.3 m. Each flow was siphoned continuously for 52 s at 5 different heights (spaced evenly from 0.6 to 4.6 cm) with samples collected at a frequency of 0.25Hz, generating 325 samples for grain-size and concentration analysis. Simultaneously, six 4-MHz UDVP (Ultrasonic Doppler Velocity Profiling) probes recorded the horizontal component of flow velocity. All but the highest probe were positioned at the same height as the siphons. The sampling location was shifted 1.32m down-current for each of five nominally identical flows, yielding sample locations at 1.32, 2.64, 3.96, 5.28 and 6.60m from the inlet point. These data can be combined to give both the temporal and spatial evolution of a single idealised flow. The concentration data can be used to defined the structure of the flow. The flow first propagated as a jet, then became stratified. The length of the head increased with increasing distance from the reservoir (although the head propagation velocity was uniform). The maximum concentration was located at the base of the flow towards the rear of the head. Grain-size analysis showed that the head was enriched in coarse particles even at the most distal sampling location. Distinct flow stratification developed at a distance between 1.3 m and 2.6 m from the reservoir. In the body of the current, the suspended sediment was normally graded, whereas the tail exhibited inverse grading. This inverse grading may be linked to coarse particles in the head being swept upwards and backwards, then falling back into the body of the current. Alternatively, body turbulence may inhibit the settling of coarse particles. Turbulence may also explain the presence of coarse particles in the flow's head, with turbulence intensity apparently correlated with the flow competence.

Ecological Networks in Stored Grain: Key Postharvest Nodes for Emerging Pests, Pathogens, and Mycotoxins.

PubMed

Hernandez Nopsa, John F; Daglish, Gregory J; Hagstrum, David W; Leslie, John F; Phillips, Thomas W; Scoglio, Caterina; Thomas-Sharma, Sara; Walter, Gimme H; Garrett, Karen A

2015-10-01

Wheat is at peak quality soon after harvest. Subsequently, diverse biota use wheat as a resource in storage, including insects and mycotoxin-producing fungi. Transportation networks for stored grain are crucial to food security and provide a model system for an analysis of the population structure, evolution, and dispersal of biota in networks. We evaluated the structure of rail networks for grain transport in the United States and Eastern Australia to identify the shortest paths for the anthropogenic dispersal of pests and mycotoxins, as well as the major sources, sinks, and bridges for movement. We found important differences in the risk profile in these two countries and identified priority control points for sampling, detection, and management. An understanding of these key locations and roles within the network is a new type of basic research result in postharvest science and will provide insights for the integrated pest management of high-risk subpopulations, such as pesticide-resistant insect pests.

Ecological Networks in Stored Grain: Key Postharvest Nodes for Emerging Pests, Pathogens, and Mycotoxins

PubMed Central

Hernandez Nopsa, John F.; Daglish, Gregory J.; Hagstrum, David W.; Leslie, John F.; Phillips, Thomas W.; Scoglio, Caterina; Thomas-Sharma, Sara; Walter, Gimme H.; Garrett, Karen A.

2015-01-01

Wheat is at peak quality soon after harvest. Subsequently, diverse biota use wheat as a resource in storage, including insects and mycotoxin-producing fungi. Transportation networks for stored grain are crucial to food security and provide a model system for an analysis of the population structure, evolution, and dispersal of biota in networks. We evaluated the structure of rail networks for grain transport in the United States and Eastern Australia to identify the shortest paths for the anthropogenic dispersal of pests and mycotoxins, as well as the major sources, sinks, and bridges for movement. We found important differences in the risk profile in these two countries and identified priority control points for sampling, detection, and management. An understanding of these key locations and roles within the network is a new type of basic research result in postharvest science and will provide insights for the integrated pest management of high-risk subpopulations, such as pesticide-resistant insect pests. PMID:26955074

An in situ USAXS-SAXS-WAXS study of precipitate size distribution evolution in a model Ni-based alloy.

PubMed

Andrews, Ross N; Serio, Joseph; Muralidharan, Govindarajan; Ilavsky, Jan

2017-06-01

Intermetallic γ' precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS-SAXS-WAXS) analysis can be used to evaluate the temporal evolution of an alloy's precipitate size distribution (PSD) and phase structure during in situ heat treatment. Analysis of PSDs from USAXS-SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoiding a priori definition of a functional form of the PSD. However, strong low- q scattering from grain boundaries and/or structure factor effects inhibit MaxEnt analysis of typical alloys. This work describes the extension of Bayesian-MaxEnt analysis methods to data exhibiting structure factor effects and low- q power law slopes and demonstrates their use in an in situ study of precipitate size evolution during heat treatment of a model Ni-Al-Si alloy.

An in situ USAXS–SAXS–WAXS study of precipitate size distribution evolution in a model Ni-based alloy1

PubMed Central

Andrews, Ross N.; Serio, Joseph; Muralidharan, Govindarajan; Ilavsky, Jan

2017-01-01

Intermetallic γ′ precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS–SAXS–WAXS) analysis can be used to evaluate the temporal evolution of an alloy’s precipitate size distribution (PSD) and phase structure during in situ heat treatment. Analysis of PSDs from USAXS–SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoiding a priori definition of a functional form of the PSD. However, strong low-q scattering from grain boundaries and/or structure factor effects inhibit MaxEnt analysis of typical alloys. This work describes the extension of Bayesian–MaxEnt analysis methods to data exhibiting structure factor effects and low-q power law slopes and demonstrates their use in an in situ study of precipitate size evolution during heat treatment of a model Ni–Al–Si alloy. PMID:28656039

Development of cataclastic foliation in deformation bands in feldspar-rich conglomerates of the Rio do Peixe Basin, NE Brazil

NASA Astrophysics Data System (ADS)

Nicchio, Matheus A.; Nogueira, Francisco C. C.; Balsamo, Fabrizio; Souza, Jorge A. B.; Carvalho, Bruno R. B. M.; Bezerra, Francisco H. R.

2018-02-01

In this work we describe the deformation mechanisms and processes that occurred during the evolution of cataclastic deformation bands developed in the feldspar-rich conglomerates of the Rio do Peixe Basin, NE Brazil. We studied bands with different deformation intensities, ranging from single cm-thick tabular bands to more evolved clustering zones. The chemical identification of cataclastic material within deformation bands was performed using compositional mapping in SEM images, EDX and XRD analyses. Deformation processes were identified by microstructural analysis and by the quantification of comminution intensity, performed using digital image processing. The deformation bands are internally non homogeneous and developed during five evolutionary stages: (1) moderate grain size reduction, grain rotation and grain border comminution; (2) intense grain size reduction with preferential feldspar fragmentation; (3) formation of subparallel C-type slip zones; (4) formation of S-type structures, generating S-C-like fabric; and (5) formation of C‧-type slip zones, generating well-developed foliation that resembles S-C-C‧-type structures in a ductile environment. Such deformation fabric is mostly imparted by the preferential alignment of intensely comminuted feldspar fragments along thin slip zones developed within deformation bands. These processes were purely mechanical (i.e., grain crushing and reorientation). No clays or fluids were involved in such processes.

Simulating the evolution of glyphosate resistance in grains farming in northern Australia.

PubMed

Thornby, David F; Walker, Steve R

2009-09-01

The evolution of resistance to herbicides is a substantial problem in contemporary agriculture. Solutions to this problem generally consist of the use of practices to control the resistant population once it evolves, and/or to institute preventative measures before populations become resistant. Herbicide resistance evolves in populations over years or decades, so predicting the effectiveness of preventative strategies in particular relies on computational modelling approaches. While models of herbicide resistance already exist, none deals with the complex regional variability in the northern Australian sub-tropical grains farming region. For this reason, a new computer model was developed. The model consists of an age- and stage-structured population model of weeds, with an existing crop model used to simulate plant growth and competition, and extensions to the crop model added to simulate seed bank ecology and population genetics factors. Using awnless barnyard grass (Echinochloa colona) as a test case, the model was used to investigate the likely rate of evolution under conditions expected to produce high selection pressure. Simulating continuous summer fallows with glyphosate used as the only means of weed control resulted in predicted resistant weed populations after approx. 15 years. Validation of the model against the paddock history for the first real-world glyphosate-resistant awnless barnyard grass population shows that the model predicted resistance evolution to within a few years of the real situation. This validation work shows that empirical validation of herbicide resistance models is problematic. However, the model simulates the complexities of sub-tropical grains farming in Australia well, and can be used to investigate, generate and improve glyphosate resistance prevention strategies.

Evolution of Pre-Main Sequence Accretion Disks

NASA Technical Reports Server (NTRS)

Hartmann, Lee W.

2004-01-01

The aim of this project is to develop a comprehensive global picture of the physical conditions in, and evolutionary timescales of, pre-main sequence accretion disks. The results of this work will help constrain the initial conditions for planet formation. To this end we are developing much larger samples of 3-10 Myr-old stars to provide better empirical constraints on protoplanetary disk evolution; measuring disk accretion rates in these systems; and constructing detailed model disk structures consistent with observations to infer physical conditions such as grain growth in protoplanetary disks.

Evolution of Pre-Main Sequence Accretion Disks

NASA Technical Reports Server (NTRS)

Hartmann, Lee W.

2003-01-01

The aim of this project is to develop a comprehensive global picture of the physical conditions in, and evolutionary timescales of, pre-main sequence accretion disks. The results of this work will help constrain the initial conditions for planet formation. To this end we are developing much larger samples of 3-10 Myr-old stars to provide better empirical constraints on protoplanetary disk evolution; measuring disk accretion rates in these systems; and constructing detailed model disk structures consistent with observations to infer physical conditions such as grain growth in protoplanetary disks.

Evolution of Pre-Main Sequence Accretion Disks

NASA Technical Reports Server (NTRS)

Hartmann, Lee W.

2005-01-01

The aim of this project was to develop a comprehensive global picture of the physical conditions in, and evolutionary timescales of, premain sequence accretion disks. The results of this work will help constrain the initial conditions for planet formation. To this end we developed much larger samples of 3-10 Myr-old stars to provide better empirical constraints on protoplanetary disk evolution; measured disk accretion rates in these systems; and constructed detailed model disk structures consistent with observations to infer physical conditions such as grain growth in protoplanetary disks.

Studies of Circumstellar Disk Evolution

NASA Technical Reports Server (NTRS)

Hartmann, Lee W.

2005-01-01

The aim of this project is to develop a comprehensive global picture of the physical conditions in, and evolutionary timescales of, pre-main sequence accretion disks. The results of this work will help constrain the initial conditions for planet formation. To this end we are developing much larger samples of 3-10 Myr-old stars to provide better empirical constraints on protoplanetary disk evolution; measuring disk accretion rates in these systems; and constructing detailed model disk structures consistent with observations to infer physical conditions such as grain growth in protoplanetary disks.

Effect of Charged-Magnetic Grains in Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Perry, Jonathan; Matthews, Lorin; Hyde, Truell

Effects of Charged-Magnetic Grains in Protoplanetary Disks Jonathan, Perry, Lorin Swint Matthews, and Truell W. Hyde Center for Astrophysics, Space Physics, and Engi-neering Research, addressPlaceNamePlaceNameplaceBaylor StreetPlaceTypeUniversity, Stree-taddressOne Bear Place 97316 Waco, TX 76798 USA The interaction and growth of dust grains is an important process in early planetesimal formation. The structure of aggregates formed from dust depend largely on the initial properties within the dust population, whether the grains are charged or uncharged, magnetic or non-magnetic. Theoretical simulations exam-ining pair-wise interactions between aggregates indicate that charged magnetic grains exhibit different growth behavior than populations consisting of exclusively charged or exclusively mag-netic grains. This study extends that work to predict how charged-magnetic grains influence grain growth within a protoplanetary disk. An N-body simulation containing various mixtures of dust materials is used to examine the differences in dust coagulation in the presence of charged magnetic aggregates. The growth of the dust aggregates is analyzed to determine the effects that charged magnetic grains contribute to the evolution of the dust cloud. Comparison of the rate of aggregation as well as the dynamic exponent relating mass of a cluster to the elapsed time will both be discussed.

Hard X-ray irradiation of cosmic silicate analogs: structural evolution and astrophysical implications

NASA Astrophysics Data System (ADS)

Gavilan, L.; Jäger, C.; Simionovici, A.; Lemaire, J. L.; Sabri, T.; Foy, E.; Yagoubi, S.; Henning, T.; Salomon, D.; Martinez-Criado, G.

2016-03-01

Context. Protoplanetary disks, interstellar clouds, and active galactic nuclei contain X-ray-dominated regions. X-rays interact with the dust and gas present in such environments. While a few laboratory X-ray irradiation experiments have been performed on ices, X-ray irradiation experiments on bare cosmic dust analogs have been scarce up to now. Aims: Our goal is to study the effects of hard X-rays on cosmic dust analogs via in situ X-ray diffraction. By using a hard X-ray synchrotron nanobeam, we seek to simulate cumulative X-ray exposure on dust grains during their lifetime in these astrophysical environments and provide an upper limit on the effect of hard X-rays on dust grain structure. Methods: We prepared enstatite (MgSiO3) nanograins, which are analogs to cosmic silicates, via the melting-quenching technique. These amorphous grains were then annealed to obtain polycrystalline grains. These were characterized via scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) before irradiation. Powder samples were prepared in X-ray transparent substrates and were irradiated with hard X-rays nanobeams (29.4 keV) provided by beamline ID16B of the European Synchrotron Radiation Facility (Grenoble). X-ray diffraction images were recorded in transmission mode, and the ensuing diffractograms were analyzed as a function of the total X-ray exposure time. Results: We detected the amorphization of polycrystalline silicates embedded in an organic matrix after an accumulated X-ray exposure of 6.4 × 1027 eV cm-2. Pure crystalline silicate grains (without resin) do not exhibit amorphization. None of the amorphous silicate samples (pure and embedded in resin) underwent crystallization. We analyze the evolution of the polycrystalline sample embedded in an organic matrix as a function of X-ray exposure. Conclusions: Loss of diffraction peak intensity, peak broadening, and the disappearance of discrete spots and arcs reveal the amorphization of the resin embedded (originally polycrystalline) silicate sample. We explore the astrophysical implications of this laboratory result as an upper limit to the effect of X-rays on the structure of cosmic silicates.

Computational and Experimental Studies of Microstructure-Scale Porosity in Metallic Fuels for Improved Gas Swelling Behavior

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

Mllett, Paul; McDeavitt, Sean; Deo, Chaitanya

This proposal will investigate the stability of bimodal pore size distributions in metallic uranium and uranium-zirconium alloys during sintering and re-sintering annealing treatments. The project will utilize both computational and experimental approaches. The computational approach includes both Molecular Dynamics simulations to determine the self-diffusion coefficients in pure U and U-Zr alloys in single crystals, grain boundaries, and free surfaces, as well as calculations of grain boundary and free surface interfacial energies. Phase-field simulations using MOOSE will be conducted to study pore and grain structure evolution in microstructures with bimodal pore size distributions. Experiments will also be performed to validate themore » simulations, and measure the time-dependent densification of bimodal porous compacts.« less

Modeling of Abrasion and Crushing of Unbound Granular Materials During Compaction

NASA Astrophysics Data System (ADS)

Ocampo, Manuel S.; Caicedo, Bernardo

2009-06-01

Unbound compacted granular materials are commonly used in engineering structures as layers in road pavements, railroad beds, highway embankments, and foundations. These structures are generally subjected to dynamic loading by construction operations, traffic and wheel loads. These repeated or cyclic loads cause abrasion and crushing of the granular materials. Abrasion changes a particle's shape, and crushing divides the particle into a mixture of many small particles of varying sizes. Particle breakage is important because the mechanical and hydraulic properties of these materials depend upon their grain size distribution. Therefore, it is important to evaluate the evolution of the grain size distribution of these materials. In this paper an analytical model for unbound granular materials is proposed in order to evaluate particle crushing of gravels and soils subjected to cyclic loads. The model is based on a Markov chain which describes the development of grading changes in the material as a function of stress levels. In the model proposed, each particle size is a state in the system, and the evolution of the material is the movement of particles from one state to another in n steps. Each step is a load cycle, and movement between states is possible with a transition probability. The crushing of particles depends on the mechanical properties of each grain and the packing density of the granular material. The transition probability was calculated using both the survival probability defined by Weibull and the compressible packing model developed by De Larrard. Material mechanical properties are considered using the Weibull probability theory. The size and shape of the grains, as well as the method of processing the packing density are considered using De Larrard's model. Results of the proposed analytical model show a good agreement with the experimental tests carried out using the gyratory compaction test.

Recycled grains in lunar soils as an additional, necessary, regolith evolution parameter

NASA Technical Reports Server (NTRS)

Basu, A.

1990-01-01

Recycled lunar soil grains are defined as those soil grains that have been a part of either regolith breccias or agglutinates; thus, mineral grains, rock fragments, older agglutinates, and volcanic glass spherules, if dislodged from an agglutinate or a regolith breccia, would all qualify as recycled grains. This paper shows that it is possible to estimate the proportion of recycled material in lunar soils. Optical data from 12 soils in the Apollo 16 core 64001/2 were collected to estimate the proportion (W) of recycled crystalline grains in each of these soils. The W values show a correspondence with other independently derived parameters and the history of the core soils, indicating that W can be used as a valid soil-evolution parameter.

Microstructural evolution of diamond films from CH{sub 4}/H{sub 2}/N{sub 2} plasma and their enhanced electrical properties

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

Sankaran, K. J.; Tai, N. H., E-mail: nhtai@mx.nthu.edu.tw; Lin, I. N., E-mail: inanlin@mail.tku.edu.tw

2015-02-21

The influence of N{sub 2} concentration in CH{sub 4}/H{sub 2}/N{sub 2} plasma on microstructural evolution and electrical properties of diamond films is systematically investigated. While the diamond films grown in CH{sub 4}/H{sub 2} plasma contain large diamond grains, for the diamond films grown using CH{sub 4}/H{sub 2}/(4%)N{sub 2} plasma, the microstructure drastically changed, resulting in ultra-nanosized diamond grains with Fd3m structure and a{sub 0} = 0.356 nm, along with the formation of n-diamond (n-D), a metastable form of diamond with space group Fm3m and a{sub 0} = 0.356 nm, and i-carbon (i-C) clusters, the bcc structured carbon with a{sub 0} = 0.432 nm. In addition, these films contain widemore » grain boundaries containing amorphous carbon (a-C). The electron field emission (EFE) studies show the best EFE behavior for 4% N{sub 2} films among the CH{sub 4}/H{sub 2}/N{sub 2} grown diamond films. They possess the lowest turn-on field value of 14.3 V/μm and the highest EFE current density value of 0.37 mA/cm{sup 2} at an applied field of 25.4 V/μm. The optical emission spectroscopy studies confirm that CN species are the major criterion to judge the changes in the microstructure of the films. It seems that the grain boundaries can provide electron conduction networks to transport efficiently the electrons to emission sites for field emission, as long as they have sufficient thickness. Whether the matrix nano-sized grains are 3C-diamond, n-D or i-C is immaterial.« less

Electrical properties of samarium cobaltite nanoparticles synthesized using Sol–Gel autocombustion route

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

Sathyamoorthy, B.; Md Gazzali, P.M.; Murugesan, C.

2014-05-01

Highlights: • The structural evolution and its electrical properties of samarium cobaltite nanograins are discussed. • Optimization of SmCoO{sub 3} nanograins is achieved by post sintering as-prepared gel at 800 °C. • The impedance spectra indicate the semiconducting behavior SmCoO{sub 3} nanograins. - Abstract: Nanograins of SmCoO{sub 3} are prepared by citric acid assisted Sol–Gel autocombustion route. The characterizations of crystal structure, surface morphology and electrical properties of SmCoO{sub 3} powder are done using XRD, HRSEM, FTIR and BDS. The structural evolution of SmCoO{sub 3} upon increasing the annealing temperature is followed using XRD and FTIR analyses. The powder samplemore » contains polycrystalline grains with average size equal to 35 nm and orthorhombic perovskite structure with Pbnm space group. The vibrational bands observed in FTIR spectrum at 545 cm{sup −1} and 439 cm{sup −1} correspond to Co-O stretching modes in cobaltite system. HRSEM images of the sample show the formation of hexagonal shaped grains of samarium cobaltite. The AC electrical conductivity of 4.914 × 10{sup −5} S cm{sup −1} at 295 K is measured for SmCoO{sub 3} nanoparticles. The impedance spectra bring out the semiconducting behavior of the material.« less

Processing, microstructure evolution and properties of nanoscale aluminum alloys

NASA Astrophysics Data System (ADS)

Han, Jixiong

In this project, phase transformations and precipitation behavior in age-hardenable nanoscale materials systems, using Al-Cu alloys as model materials, were first studied. The Al-Cu nanoparticles were synthesized by a Plasma Ablation process and found to contain a 2˜5 nm thick adherent aluminum oxide scale, which prevented further oxidation. On aging of the particles, a precipitation sequence consisting of, nearly pure Cu precipitates to the metastable theta' to equilibrium theta was observed, with all three forming along the oxide-particle interface. The structure of theta' and its interface with the Al matrix has been characterized in detail. Ultrafine Al-Cu nanoparticles (5˜25 nm) were also synthesized by inert gas condensation (IGC) and their aging behavior was studied. These particles were found to be quite stable against precipitation. Secondly, pure Al nanoparticles were prepared by the Exploding Wire process and their sintering and consolidation behavior were studied. It was found that nanopowders of Al could be processed to bulk structures with high hardness and density. Sintering temperature was found to have a dominant effect on density, hardness and microstructure. Sintering at temperatures >600°C led to breakup of the oxide scale, leading to an interesting nanocomposite composed of 100˜200 nm Al oxide dispersed in a bimodal nanometer-micrometer size Al matrix grains. Although there was some grain growth, the randomly dispersed oxide fragments were quite effective in pinning the Al grain boundaries, preventing excessive grain growth and retaining high hardness. Cold rolling and hot rolling were effective methods for attaining full densification and high hardness. Thirdly, the microstructure evolution and mechanical behavior of Al-Al 2O3 nanocomposites were studied. The composites can retain high strength at elevated temperature and thermal soaking has practically no detrimental effect on strength. Although the ductility of the composite remains quite low, there was substantial evidence for high localized plasticity. The strengthening mechanisms of the composite include: Orowan strengthening, grain size strengthening and Forest strengthening. Finally, the microstructure evolution and mechanical behavior of 2024Al-Al 2O3 nanocomposites were studied. This 2024Al-Al2O 3 composite exhibits similar thermal stability and high strength at elevated temperature as Al-Al2O3. On aging, the matrix of 2024Al-Al2O3 composites revealed a precipitation sequence of: alphaAl → GP/GPB → theta'/S' → theta/S. The strengthening mechanisms of the 2024Al-Al2O3 composites include precipitation strengthening, Orowan strengthening, grain size strengthening and Forest strengthening.

Electromigration-induced void grain-boundary interactions: The mean time to failure for copper interconnects with bamboo and near-bamboo structures

NASA Astrophysics Data System (ADS)

Ogurtani, Tarik Omer; Oren, Ersin Emre

2004-12-01

A well-posed moving boundary-value problem, describing the dynamics of curved interfaces and surfaces associated with voids and/or cracks that are interacting with grain boundaries, is obtained. Extensive computer simulations are performed for void configuration evolution during intergranular motion, under the actions of capillary and electromigration forces in thin-film metallic interconnects with bamboo structures. The analysis of experimental data, utilizing the mean time to failure formulas derived in this paper, gives consistent values for the interface diffusion coefficients and enthalpies of voids. 5.85×10-5exp(-0.95eV/kT)m2s-1 is the value obtained for voids that form in the interior of the copper interconnects avoiding any surface contamination. 1.80×10-4exp(-1.20eV/kT)m2s-1 is obtained for those voids that nucleate either at triple junctions or at the grain-boundary technical surface intersections (grain-boundary groove), where the chemical impurities such as Si, O, S, and even C are segregated during the metallization and annealing processes and may act as trap centers for hopping vacancies.

High-Burnup-Structure (HBS): Model Development in MARMOT for HBS Formation and Stability Under Radiation and High Temperature

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

Ahmed, K.; Bai, X.; Zhang, Y.

2016-09-01

A detailed phase field model for the formation of High Burnup Structure (HBS) was developed and implemented in MARMOT. The model treats the HBS formation as an irradiation-induced recrystallization. The model takes into consideration the stored energy associated with dislocations formed under irradiation. The accumulation of radiation damage, hence, increases the system free energy and triggers recrystallization. The increase in the free energy due to the formation of new grain boundaries is offset by the reduction in the free energy by creating dislocation-free grains at the expense of the deformed grains. The model was first used to study the growthmore » of recrystallized flat and circular grains. The model reults were shown to agree well with theorrtical predictions. The case of HBS formation in UO2 was then investigated. It was found that a threshold dislocation density of (or equivalently a threshold burn-up of 33-40 GWd/t) is required for HBS formation at 1200K, which is in good agrrement with theory and experiments. In future studies, the presence of gas bubbles and their effect on the formation and evolution of HBS will be considered.« less

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

Pleiotropic effects of the wheat domestication gene Q on yield and grain morphology.

PubMed

Xie, Quan; Li, Na; Yang, Yang; Lv, Yulong; Yao, Hongni; Wei, Rong; Sparkes, Debbie L; Ma, Zhengqiang

2018-05-01

Transformation from q to Q during wheat domestication functioned outside the boundary of threshability to increase yield, grains m -2 , grain weight and roundness, but to reduce grains per spike/spikelet. Mutation of the Q gene, well-known affecting wheat spike structure, represents a key domestication step in the formation of today's free-threshing, economically important wheats. In a previous study, multiple yield components and spike characteristics were associated with the Q gene interval in the bread wheat 'Forno' × European spelt 'Oberkulmer' recombinant inbred line population. Here, we reported that this interval was also associated with grain yield, grains m -2 , grain morphology, and spike dry weight at anthesis. To clarify the roles of Q in agronomic trait performance, a functional marker for the Q gene was developed. Analysis of allelic effects showed that the bread wheat Q allele conferred free-threshing habit, soft glumes, and short and compact spikes compared with q. In addition, the Q allele contributed to higher grain yield, more grains m -2 , and higher thousand grain weight, whereas q contributed to more grains per spike/spikelet likely resulting from increased preanthesis spike growth. For grain morphology, the Q allele was associated with reduced ratio of grain length to height, indicating a rounder grain. These results are supported by analysis of four Q mutant lines in the Chinese Spring background. Therefore, the transition from q to Q during wheat domestication had profound effects on grain yield and grain shape evolution as well, being a consequence of pleiotropy.

Stochastic and Deterministic Approaches to Gas-grain Modeling of Interstellar Sources

NASA Astrophysics Data System (ADS)

Vasyunin, Anton; Herbst, Eric; Caselli, Paola

During the last decade, our understanding of the chemistry on surfaces of interstellar grains has been significantly enchanced. Extensive laboratory studies have revealed complex structure and dynamics in interstellar ice analogues, thus making our knowledge much more detailed. In addition, the first qualitative investigations of new processes were made, such as non-thermal chemical desorption of species from dust grains into the gas. Not surprisingly, the rapid growth of knowledge about the physics and chemistry of interstellar ices led to the development of a new generation of astrochemical models. The models are typically characterized by more detailed treatments of the ice physics and chemistry than previously. The utilized numerical approaches vary greatly from microscopic models, in which every single molecule is traced, to ``mean field'' macroscopic models, which simulate the evolution of averaged characteristics of interstellar ices, such as overall bulk composition. While microscopic models based on a stochastic Monte Carlo approach are potentially able to simulate the evolution of interstellar ices with an account of most subtle effects found in a laboratory, their use is often impractical due to limited knowledge about star-forming regions and huge computational demands. On the other hand, deterministic macroscopic models that often utilize kinetic rate equations are computationally efficient but experience difficulties in incorporation of such potentially important effects as ice segregation or discreteness of surface chemical reactions. In my talk, I will review the state of the art in the development of gas-grain astrochemical models. I will discuss how to incorporate key features of ice chemistry and dynamics in the gas-grain astrochemical models, and how the incorporation of recent laboratory findings into gas-grain models helps to better match observations.

Deformation Behavior of Ultra-Strong and Ductile Mg-Gd-Y-Zn-Zr Alloy with Bimodal Microstructure

NASA Astrophysics Data System (ADS)

Xu, C.; Fan, G. H.; Nakata, T.; Liang, X.; Chi, Y. Q.; Qiao, X. G.; Cao, G. J.; Zhang, T. T.; Huang, M.; Miao, K. S.; Zheng, M. Y.; Kamado, S.; Xie, H. L.

2018-02-01

An ultra-strong and ductile Mg-8.2Gd-3.8Y-1Zn-0.4Zr (wt pct) alloy was developed by using hot extrusion to modify the microstructure via forced-air cooling and an artificial aging treatment. A superior strength-ductility balance was obtained that had a tensile yield strength of 466 MPa and an elongation to failure of 14.5 pct. The local strain evolution during the in situ testing of the ultra-strong and ductile alloy was quantitatively analyzed with high-resolution electron backscattered diffraction and digital image correlation. The fracture behavior during the tensile test was characterized by synchrotron X-ray tomography along with SEM and STEM observations. The alloy showed a bimodal microstructure, consisting of dynamically recrystallized (DRXed) grains with random orientations and elongated hot-worked grains with < { 10{\\bar{1}}0} > parallel to the extrusion direction. The DRXed grains were deformed by the basal <;a> slip and the hot-worked grains were deformed by the prismatic slip dominantly. The strain evolution analysis indicated that the multilayered structure relaxed the strain localization via strain transfer from the DRXed to the hot-worked regions, which led to the high ductility of the alloy. Precipitation of the γ' on basal planes and the β' phases on the prismatic planes of the α-Mg generated closed volumes, which enhanced the strength by pinning dislocations effectively, and contributed to the high ductility by impeding the propagation of micro-cracks inside the grains. The deformation incompatibility between the hot-worked grains and the arched block-shaped long-period stacking ordered (LPSO) phases induced the crack initiation and propagation, which fractured the alloy.

Biophysical and structural considerations for protein sequence evolution

PubMed Central

2011-01-01

Background Protein sequence evolution is constrained by the biophysics of folding and function, causing interdependence between interacting sites in the sequence. However, current site-independent models of sequence evolutions do not take this into account. Recent attempts to integrate the influence of structure and biophysics into phylogenetic models via statistical/informational approaches have not resulted in expected improvements in model performance. This suggests that further innovations are needed for progress in this field. Results Here we develop a coarse-grained physics-based model of protein folding and binding function, and compare it to a popular informational model. We find that both models violate the assumption of the native sequence being close to a thermodynamic optimum, causing directional selection away from the native state. Sampling and simulation show that the physics-based model is more specific for fold-defining interactions that vary less among residue type. The informational model diffuses further in sequence space with fewer barriers and tends to provide less support for an invariant sites model, although amino acid substitutions are generally conservative. Both approaches produce sequences with natural features like dN/dS < 1 and gamma-distributed rates across sites. Conclusions Simple coarse-grained models of protein folding can describe some natural features of evolving proteins but are currently not accurate enough to use in evolutionary inference. This is partly due to improper packing of the hydrophobic core. We suggest possible improvements on the representation of structure, folding energy, and binding function, as regards both native and non-native conformations, and describe a large number of possible applications for such a model. PMID:22171550

All the catalytic active sites of MoS 2 for hydrogen evolution

DOE PAGES

Li, Guoqing; Zhang, Du; Qiao, Qiao; ...

2016-11-29

MoS 2 presents a promising low-cost catalyst for the hydrogen evolution reaction (HER), but the understanding about its active sites has remained limited. Here we present an unambiguous study of the catalytic activities of all possible reaction sites of MoS 2, including edge sites, sulfur vacancies, and grain boundaries. We demonstrate that, in addition to the well-known catalytically active edge sites, sulfur vacancies provide another major active site for the HER, while the catalytic activity of grain boundaries is much weaker. Here, the intrinsic turnover frequencies (Tafel slopes) of the edge sites, sulfur vacancies, and grain boundaries are estimated tomore » be 7.5 s –1 (65–75 mV/dec), 3.2 s –1 (65–85 mV/dec), and 0.1 s –1 (120–160 mV/dec), respectively. We also demonstrate that the catalytic activity of sulfur vacancies strongly depends on the density of the vacancies and the local crystalline structure in proximity to the vacancies. Unlike edge sites, whose catalytic activity linearly depends on the length, sulfur vacancies show optimal catalytic activities when the vacancy density is in the range of 7–10%, and the number of sulfur vacancies in high crystalline quality MoS 2 is higher than that in low crystalline quality MoS 2, which may be related with the proximity of different local crystalline structures to the vacancies.« less

Static Grain Growth in Contact Metamorphic Calcite: A Cathodoluminescence Study.

NASA Astrophysics Data System (ADS)

Vogt, B.; Heilbronner, R.; Herwegh, M.; Ramseyer, K.

2009-04-01

In the Adamello contact aureole, monomineralic mesozoic limestones were investigated in terms of grain size evolution and compared to results on numerical modeling performed by Elle. The sampled area shows no deformation and therefore represents an appropriate natural laboratory for the study of static grain growth (Herwegh & Berger, 2003). For this purpose, samples were collected at different distances to the contact to the pluton, covering a temperature range between 270 to 630°C. In these marbles, the grain sizes increase with temperature from 5 µm to about 1 cm as one approaches the contact (Herwegh & Berger, 2003). In some samples, photomicrographs show domains of variable cathodoluminescence (CL) intensities, which are interpreted to represent growth zonations. Microstructures show grains that contain cores and in some samples even several growth stages. The cores are usually not centered and the zones not concentric. They may be in touch with grain boundaries. These zonation patterns are consistent within a given aggregate but differ among the samples even if they come from the same location. Relative CL intensities depend on the Mn/Fe ratio. We assume that changes in trace amounts of Mn/Fe must have occurred during the grain size evolution, preserving local geochemical trends and their variations with time. Changes in Mn/Fe ratios can either be explained by (a) locally derived fluids (e.g. hydration reactions of sheet silicate rich marbles in the vicinity) or (b) by the infiltration of the calcite aggregates by externally derived (magmatic?) fluids. At the present stage, we prefer a regional change in fluid composition (b) because the growth zonations only occur at distances of 750-1250 m from the pluton contact (350-450°C). Closer to the contact, neither zonations nor cores were found. At larger distances, CL intensities differ from grain to grain, revealing diagenetic CL patterns that were incompletely recrystallized by grain growth. The role of infiltration of magmatic fluids is also manifest in the vicinity of dikes, where intense zonation patterns are prominent in the marbles. The software Elle was developed to simulate microstructural evolution in rocks. The numerical model with the title "Grain boundary sweeping" was performed by M. Jessell and was found on http://www.materialsknowledge.org/elle. It displays the grain size evolution and the development of growth zonations during grain boundary migration of a 2D foam structure. This simulation was chosen because the driving force is the minimization of isotropic surface energies. It will be compared to the natural microstructures. At the last stage of the simulation the average grain and core sizes have increased. All, even the smallest grains, show growth zonations. Grains can be divided into two groups: (a) initially larger grains, increasing their grain size and maintaining their core size and (b) initially smaller grains with decreasing grain and decreasing core size. Group (a) grains show large areas swept by grain boundaries into the direction of small grains. Grain boundaries between large grains move more slowly. Their cores do not touch any grain boundaries. Cores of group (b) grains are in contact with the grain boundary network and are on the way to be consumed. In the numerical model and in the natural example similar features can be observed: The cores are not necessarily centered, the zonations are not necessarily concentric and some of the cores touch the grain boundary network. In the simulation, grain boundary migration velocity between large grains is smaller than between a large and a small grain. From this we would predict that - given enough time - a well sorted grain size distribution of increased grain size could be generated. But since many small grains occur we infer that this equilibrium has not been obtained. Analytical results of some natural samples that could be analyzed up to now indicate a relatively well sorted grain size distribution suggesting a more mature state of static grain growth. In comparison to the simulation, grain and core boundaries in the marbles are not always straight. For lobate grain boundaries the surface area has not been minimized in respect to the grain size. An explanation for this might be grain boundary pinning or a local dynamic overprint. Some cores and growth zones in the investigated calcites show a continuous change in luminescence. This is interpreted to be an effect of late diffusion within the grain and/or a continuous change of fluid composition and supply. The absence of zonation in samples close to the contact might be explained by fast grain growth due to high temperatures and/or fast fluid transport. Possibly, this is combined with an enhanced component of volume diffusion. Thus concentration variations of Mn/Fe are diminished and not visible in form of a growth zonation. Herwegh M, Berger A (2003) Differences in grain growth of calcite: a field-based modeling approach. Contr. Min. Pet. 145: 600-611

Microstructural evolution and grain growth kinetics of GZ31 magnesium alloy

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

Roostaei, M., E-mail: miladroustaei68@ut.ac.ir

2016-08-15

Grain growth behavior of Mg–3Gd–1Zn (GZ31) magnesium alloy was studied in a wide range of annealing time and temperature to clarify the kinetics of grain growth, microstructural evolution and related metallurgical phenomena. This material exhibited typical normal grain growth mode under annealing conditions with annealing temperature of lower than 300 °C and soaking time of lower than 240 min. However, the abnormality in grain growth was also evident at annealing temperature of 400 °C and 500 °C. The dependence of abnormal grain growth (AGG) at mentioned annealing temperatures upon microstructural features such as dispersed precipitates, which were rich in Znmore » and Gd, was investigated by optical micrographs, X-ray diffraction patterns, scanning electron microscopy images, and energy dispersive X-ray analysis spectra. The bimodality in grain-size distribution histograms also signified the occurrence of AGG. Based on the experimental data on grain growth obtained by annealing treatments, the grain growth exponent and the activation energy were also figured out.« less

Relations and interactions between twinning and grain boundaries in hexagonal close-packed structures

NASA Astrophysics Data System (ADS)

Barrett, Christopher Duncan

Improving the formability and crashworthiness of wrought magnesium alloys are the two biggest challenges in current magnesium technology. Magnesium is the best material candidate for enabling required improvements in fuel economy of combustion engines and increases in ranges of electric vehicles. In hexagonal closed-packed (HCP) structures, effects of grain size/morphology and crystallographic texture are particularly important. Prior research has established a general understanding of the dependences of strength and strain anisotropy on grain morphology and texture. Unfortunately, deformation, recrystallization, and grain growth strategies that control the microstructures and textures of cubic metals and alloys have not generally worked for HCPs. For example, in Magnesium, the deformation texture induced by primary forming operations (rolling, extrusion, etc.) is not randomized by recrystallization and may strengthen during grain growth. A strong texture reduces formability during secondary forming (stamping, bending, hemming etc.) Thus, the inability to randomize texture has impeded the implementation of magnesium alloys in engineering applications. When rare earth solutes are added to magnesium alloys, distinct new textures are derived. However, `rare earth texture' derivation remains insufficiently explained. Currently, it is hypothesized that unknown mechanisms of alloy processing are at work, arising from the effects of grain boundary intrinsic defect structures on microstructural evolution. This dissertation is a comprehensive attempt to identify formal methodologies of analyzing the behavior of grain boundaries in magnesium. We focus particularly on twin boundaries and asymmetric tilt grain boundaries using molecular dynamics. We begin by exploring twin nucleation in magnesium single crystals, elucidating effects of heterogeneities on twin nucleation and their relationships with concurrent slip. These efforts highlighted the necessity of imperfections to nucleate {10-12} twins. Subsequent studies encountered the importance of deformation faceting on the high mobility of {10-12} and stabilization of observed twin mode boundaries. Implementation of interfacial defect theory was necessary to decipher the complex mechanisms observed which govern the development of defects in grain boundaries, disconnection pile-up, facet nucleation, interfacial disclination nucleation, disconnection movements, disconnection transformation across interfacial disclinations, cross-faceting, and byproducts of interactions between lattice dislocations and grain boundaries.

Simulating the evolution of glyphosate resistance in grains farming in northern Australia

PubMed Central

Thornby, David F.; Walker, Steve R.

2009-01-01

Background and Aims The evolution of resistance to herbicides is a substantial problem in contemporary agriculture. Solutions to this problem generally consist of the use of practices to control the resistant population once it evolves, and/or to institute preventative measures before populations become resistant. Herbicide resistance evolves in populations over years or decades, so predicting the effectiveness of preventative strategies in particular relies on computational modelling approaches. While models of herbicide resistance already exist, none deals with the complex regional variability in the northern Australian sub-tropical grains farming region. For this reason, a new computer model was developed. Methods The model consists of an age- and stage-structured population model of weeds, with an existing crop model used to simulate plant growth and competition, and extensions to the crop model added to simulate seed bank ecology and population genetics factors. Using awnless barnyard grass (Echinochloa colona) as a test case, the model was used to investigate the likely rate of evolution under conditions expected to produce high selection pressure. Key Results Simulating continuous summer fallows with glyphosate used as the only means of weed control resulted in predicted resistant weed populations after approx. 15 years. Validation of the model against the paddock history for the first real-world glyphosate-resistant awnless barnyard grass population shows that the model predicted resistance evolution to within a few years of the real situation. Conclusions This validation work shows that empirical validation of herbicide resistance models is problematic. However, the model simulates the complexities of sub-tropical grains farming in Australia well, and can be used to investigate, generate and improve glyphosate resistance prevention strategies. PMID:19567415

Unstable plastic deformation of ultrafine-grained copper at 0.5 K

NASA Astrophysics Data System (ADS)

Isaev, N. V.; Grigorova, T. V.; Shumilin, S. E.; Polishchuk, S. S.; Davydenko, O. A.

2017-12-01

We investigate the relation between the strain-hardening rate and flow instability of polycrystalline Cu-OF deformed by tension at a constant rate in a liquid 3He atmosphere. The microstructure of the ultrafine-grained crystal, obtained by the equal-channel angular hydro-extrusion method, was varied by annealing at recovery and recrystallization temperatures and was monitored by x-ray diffraction. It is shown that that the flow instability, manifesting itself as macroscopic stress serrations on the tension curve, appears at a threshold tension sufficient for activation of a dynamic recovery that leads to a decrease of the strain-hardening coefficient. We discuss the effect of grain size and the initial dislocation density on the evolution of the dislocation structure that determines the scale and the statistical properties of the flow instability in the investigated crystals at low temperature.

Predicting mesoscale microstructural evolution in electron beam welding

DOE PAGES

Rodgers, Theron M.; Madison, Jonathan D.; Tikare, Veena; ...

2016-03-16

Using the kinetic Monte Carlo simulator, Stochastic Parallel PARticle Kinetic Simulator, from Sandia National Laboratories, a user routine has been developed to simulate mesoscale predictions of a grain structure near a moving heat source. Here, we demonstrate the use of this user routine to produce voxelized, synthetic, three-dimensional microstructures for electron-beam welding by comparing them with experimentally produced microstructures. When simulation input parameters are matched to experimental process parameters, qualitative and quantitative agreement for both grain size and grain morphology are achieved. The method is capable of simulating both single- and multipass welds. As a result, the simulations provide anmore » opportunity for not only accelerated design but also the integration of simulation and experiments in design such that simulations can receive parameter bounds from experiments and, in turn, provide predictions of a resultant microstructure.« less

Selective Growth of Low Stored Energy Grains During δ Sub-solvus Annealing in the Inconel 718 Nickel-Based Superalloy

NASA Astrophysics Data System (ADS)

Agnoli, Andrea; Bernacki, Marc; Logé, Roland; Franchet, Jean-Michel; Laigo, Johanne; Bozzolo, Nathalie

2015-09-01

The microstructure stability during δ sub-solvus annealing in Inconel 718 was investigated, focusing on the conditions that may lead to the development of very large grains (about 100 μm) in a recrystallized fine grained matrix (4 to 5 μm) despite the presence of second-phase particles. Microstructure evolution was analyzed by EBSD (grain size, intragranular misorientation) and SEM ( δ phase particles). Results confirm that, in the absence of stored energy, the grain structure is controlled by the δ phase particles, as predicted by the Smith-Zener equation. If the initial microstructure is strained ( ɛ < 0.1) before annealing, then low stored energy grains grow to a large extent, despite the Zener pinning forces exerted by the second-phase particles on the grain boundaries. Those selectively growing grains could be those of the initial microstructure that were the least deformed, or they could result from a nucleation process. The balance of three forces acting on boundary migration controls the growth process: if the sum of capillarity and stored energy driving forces exceeds the Zener pinning force, then selective grain growth occurs. Such phenomenon could be simulated, using a level set approach in a finite element context, by taking into account the three forces acting on boundary migration and by considering a realistic strain energy distribution (estimated from EBSD measurements).

Variable microstructural response of baddeleyite to shock metamorphism in young basaltic shergottite NWA 5298 and improved U-Pb dating of Solar System events

NASA Astrophysics Data System (ADS)

Darling, James R.; Moser, Desmond E.; Barker, Ivan R.; Tait, Kim T.; Chamberlain, Kevin R.; Schmitt, Axel K.; Hyde, Brendt C.

2016-06-01

The accurate dating of igneous and impact events is vital for the understanding of Solar System evolution, but has been hampered by limited knowledge of how shock metamorphism affects mineral and whole-rock isotopic systems used for geochronology. Baddeleyite (monoclinic ZrO2) is a refractory mineral chronometer of great potential to date these processes due to its widespread occurrence in achondrites and robust U-Pb isotopic systematics, but there is little understanding of shock-effects on this phase. Here we present new nano-structural measurements of baddeleyite grains in a thin-section of the highly-shocked basaltic shergottite Northwest Africa (NWA) 5298, using high-resolution electron backscattered diffraction (EBSD) and scanning transmission electron microscopy (STEM) techniques, to investigate shock-effects and their linkage with U-Pb isotopic disturbance that has previously been documented by in-situ U-Pb isotopic analyses. The shock-altered state of originally igneous baddeleyite grains is highly variable across the thin-section and often within single grains. Analyzed grains range from those that preserve primary (magmatic) twinning and trace-element zonation (baddeleyite shock Group 1), to quasi-amorphous ZrO2 (Group 2) and to recrystallized micro-granular domains of baddeleyite (Group 3). These groups correlate closely with measured U-Pb isotope compositions. Primary igneous features in Group 1 baddeleyites (n = 5) are retained in high shock impedance grain environments, and an average of these grains yields a revised late-Amazonian magmatic crystallization age of 175 ± 30 Ma for this shergottite. The youngest U-Pb dates occur from Group 3 recrystallized nano- to micro-granular baddeleyite grains, indicating that it is post-shock heating and new mineral growth that drives much of the isotopic disturbance, rather than just shock deformation and phase transitions. Our data demonstrate that a systematic multi-stage microstructural evolution in baddeleyite results from a single cycle of shock-loading, heating and cooling during transit to space, and that this leads to variable disturbance of the U-Pb isotope system. Furthermore, by linking in-situ U-Pb isotopic measurements with detailed micro- to nano-structural analyses, it is possible to resolve the timing of both endogenic crustal processes and impact events in highly-shocked planetary materials using baddeleyite. This opens up new opportunities to refine the timing of major events across the Solar System.

Friction Stir Back Extrusion of Aluminium Alloys for Automotive Applications

NASA Astrophysics Data System (ADS)

Xu, Zeren

Since the invention of Friction Stir Welding in 1991 as a solid state joining technique, extensive scientific investigations have been carried out to understand fundamental aspects of material behaviors when processed by this technique, in order to optimize processing conditions as well as mechanical properties of the welds. Based on the basic principles of Friction Stir Welding, several derivatives have also been developed such as Friction Stir Processing, Friction Extrusion and Friction Stir Back Extrusion. Friction Stir Back Extrusion is a novel technique that is proposed recently and designed for fabricating tubes from lightweight alloys. Some preliminary results have been reported regarding microstructure and mechanical properties of Friction Stir Back Extrusion processed AZ31 magnesium alloy, however, systematic study and in-depth investigations are still needed to understand the materials behaviors and underlying mechanisms when subjected to Friction Stir Back Extrusion, especially for age-hardenable Al alloys. In the present study, Friction Stir Back Extrusion processed AA6063-T5 and AA7075-T6 alloys are analyzed with respect to grain structure evolution, micro-texture change, recrystallization mechanisms, precipitation sequence as well as mechanical properties. Optical Microscopy, Electron Backscatter Diffraction, Transmission Electron Microscopy, Vickers Hardness measurements and uniaxial tensile tests are carried out to characterize the microstructural change as well as micro and macro mechanical properties of the processed tubes. Special attention is paid to the micro-texture evolution across the entire tube and dynamic recrystallization mechanisms that are responsible for grain refinement. Significant grain refinement has been observed near the processing zone while the tube wall is characterized by inhomogeneous grain structure across the thickness for both alloys. Dissolution of existing precipitates is noticed under the thermal hysterias imposed by Friction Stir Back Extrusion process, resulting in decreased strength but improved elongation of the processed tubes; a post-process aging step can effectively restore the mechanical properties of the processed tubes by allowing for the reprecipitation of solute elements in the form of fine, dispersed precipitates. Texture analysis performed for AA6063 alloy suggests the dominance of simple shear type textures with clear transition from initial texture to stable B/ ?B components via intermediate types that are stable under moderate strain levels. In order to identify the texture components properly, rigid body rotations are applied to the existing coordinate system to align it to local shear reference frame. Surprisingly, for AA7075 tubes, and fibers are observed to be the dominant texture components in the transition region as well as thermomechanically affected zone while the processing zone is characterized by random texture. The underlying mechanisms responsible for the formation of random texture are discussed in Chapter 5 based on Electron Backscatter Diffraction analysis. Comparative discussions are also carried out for the recrystallization mechanisms that are responsible for grain structure evolution of both alloys. Continuous grain subdivision and reorientation is cited as the dominant mechanism for the recrystallization of AA6063 alloys, while dynamic recrystallization occurs mainly in the form of Geometric Dynamic Recrystallization and progressive subgrain rotations near grain boundaries in AA7075 alloys.

Micro-mechanisms of Surface Defects Induced on Aluminum Alloys during Plastic Deformation at Elevated Temperatures

NASA Astrophysics Data System (ADS)

Gali, Olufisayo A.

Near-surface deformed layers developed on aluminum alloys significantly influence the corrosion and tribological behavior as well as reduce the surface quality of the rolled aluminum. The evolution of the near-surface microstructures induced on magnesium containing aluminum alloys during thermomechanical processing has been investigated with the aim generating an understanding of the influence of individual forming parameters on its evolution and examine the microstructure of the roll coating induced on the mating steel roll through material transfer during rolling. The micro-mechanisms related to the various features of near-surface microstructure developed during tribological conditions of the simulated hot rolling process were identified. Thermomechanical processing experiments were performed with the aid of hot rolling (operating temperature: 550 to 460 °C, 4, 10 and 20 rolling pass schedules) and hot forming (operating temperature: 350 to 545 °C, strain rate: 4 x 10-2 s-1) tribo-simulators. The surface, near-surface features and material transfer induced during the elevated temperature plastic deformation were examined and characterized employing optical interferometry, SEM/EDS, FIB and TEM. Near-surface features characterized on the rolled aluminum alloys included; cracks, fractured intermetallic particles, aluminum nano-particles, oxide decorated grain boundaries, rolled-in oxides, shingles and blisters. These features were related to various individual rolling parameters which included, the work roll roughness, which induced the formation of shingles, rolling marks and were responsible for the redistribution of surface oxide and the enhancements of the depth of the near-surface damage. The enhanced stresses and strains experienced during rolling were related to the formation and propagation of cracks, the nanocrystalline structure of the near-surface layers and aluminum nano-particles. The mechanism of the evolution of the near-surface microstructure were determined to include grain boundary sliding which induced the cracks at the surface and subsurface of the alloy, magnesium diffusion to free surfaces, crack propagation from shear stresses and the shear strains inducing the nanocrystalline grain structure, the formation of shingles by the shear deformation of micro-wedges induced by the work roll grooves, and the deformation of this oxide covered micro-wedges inducing the rolled-in oxides. Magnesium diffusion to free surfaces was identified as inducing crack healing due to the formation of MgO within cracks and was responsible for the oxide decorated grain boundaries. An examination of the roll coating revealed a complex layered microstructure that was induced through tribo-chemical and mechanical entrapment mechanisms. The microstructure of the roll coating suggested that the work roll material and the rolled aluminum alloy were essential in determining its composition and structure. Subsequent hot forming processes revealed the rich oxide-layer of the near-surface microstructure was beneficial for reducing the coefficient of friction during tribological contact with the steel die. Damage to the microstructure include cracks induced from grain boundary sliding of near-surface grains and the formation of oxide fibres within cracks of the near-surface deformed layers.

A coarse-grained Monte Carlo approach to diffusion processes in metallic nanoparticles

NASA Astrophysics Data System (ADS)

Hauser, Andreas W.; Schnedlitz, Martin; Ernst, Wolfgang E.

2017-06-01

A kinetic Monte Carlo approach on a coarse-grained lattice is developed for the simulation of surface diffusion processes of Ni, Pd and Au structures with diameters in the range of a few nanometers. Intensity information obtained via standard two-dimensional transmission electron microscopy imaging techniques is used to create three-dimensional structure models as input for a cellular automaton. A series of update rules based on reaction kinetics is defined to allow for a stepwise evolution in time with the aim to simulate surface diffusion phenomena such as Rayleigh breakup and surface wetting. The material flow, in our case represented by the hopping of discrete portions of metal on a given grid, is driven by the attempt to minimize the surface energy, which can be achieved by maximizing the number of filled neighbor cells.

Structural Evolution during Milling, Annealing, and Rapid Consolidation of Nanocrystalline Fe–10Cr–3Al Powder

PubMed Central

Kumar, Rajiv; Bakshi, S. R.; Joardar, Joydip; Parida, S.; Raja, V. S.; Singh Raman, R. K.

2017-01-01

Structural changes during the deformation-induced synthesis of nanocrystalline Fe–10Cr–3Al alloy powder via high-energy ball milling followed by annealing and rapid consolidation by spark plasma sintering were investigated. Reduction in crystallite size was observed during the synthesis, which was associated with the lattice expansion and rise in dislocation density, reflecting the generation of the excess grain boundary interfacial energy and the excess free volume. Subsequent annealing led to the exponential growth of the crystallites with a concomitant drop in the dislocation density. The rapid consolidation of the as-synthesized nanocrystalline alloy powder by the spark plasma sintering, on the other hand, showed only a limited grain growth due to the reduction of processing time for the consolidation by about 95% when compared to annealing at the same temperature. PMID:28772633

Presolar stardust in meteorites: recent advances and scientific frontiers

NASA Astrophysics Data System (ADS)

Nittler, Larry R.

2003-04-01

Grains of stardust that formed in stellar outflows prior to the formation of the solar system survive intact as trace constituents of primitive meteorites. The presolar origin of the grains is indicated by enormous isotopic ratio variations compared to solar system materials. Identified presolar phases include diamond, silicon carbide, graphite, silicon nitride, corundum, spinel, hibonite, titanium oxide, and, most recently, silicates. Sub-grains of refractory carbides (e.g. TiC), and Fe-Ni metal have also been observed within individual presolar graphite grains. Isotopic compositions indicate that the grains formed in red giants, asymptotic giant branch (AGB) stars, supernovae and novae; thus they provide unique insights into the evolution of and nucleosynthesis within these environments. Some of the isotopic variations also reflect the chemical evolution of the galaxy and can be used to constrain corresponding models. Presolar grain microstructures provide information about physical and chemical conditions of dust formation in stellar environments; recent studies have focused on graphite grains from supernovae as well as SiC and corundum from AGB stars. The survival of presolar grains in different classes of meteorites has important implications for early solar system evolution. Recent analytical developments, including resonance ionization mass spectrometry, high spatial resolution secondary ion mass spectrometry and site-selective ion milling, should help solve many outstanding problems but are likely to also introduce new surprises.

Plastic Flow and Microstructure Evolution during Thermomechanical Processing of a PM Nickel-Base Superalloy

NASA Astrophysics Data System (ADS)

Semiatin, S. L.; McClary, K. E.; Rollett, A. D.; Roberts, C. G.; Payton, E. J.; Zhang, F.; Gabb, T. P.

2013-06-01

Plastic flow and microstructure evolution during sub- and supersolvus forging and subsequent supersolvus heat treatment of the powder-metallurgy superalloy LSHR (low-solvus, high-refractory) were investigated to develop an understanding of methods that can be used to obtain a moderately coarse gamma grain size under well-controlled conditions. To this end, isothermal, hot compression tests were conducted over broad ranges of temperature [(1144 K to 1450 K) 871 °C to 1177 °C] and constant true strain rate (0.0005 to 10 s-1). At low temperatures, deformation was generally characterized by flow softening and dynamic recrystallization that led to a decrease in grain size. At high subsolvus temperatures and low strain rates, steady-state flow or flow hardening was observed. These latter behaviors were ascribed to superplastic deformation and microstructure evolution characterized by a constant grain size or concomitant dynamic grain growth, respectively. During supersolvus heat treatment following subsolvus deformation, increases in grain size whose magnitude was a function of the prior deformation conditions were noted. A transition in flow behavior from superplastic to nonsuperplastic and the development during forging at a high subsolvus temperature of a wide (possibly bi- or multimodal) gamma-grain-size distribution having some large grains led to a substantially coarser grain size during supersolvus annealing in comparison to that produced under all other forging conditions.

Effects of film growth kinetics on grain coarsening and grain shape.

PubMed

Reis, F D A Aarão

2017-04-01

We study models of grain nucleation and coarsening during the deposition of a thin film using numerical simulations and scaling approaches. The incorporation of new particles in the film is determined by lattice growth models in three different universality classes, with no effect of the grain structure. The first model of grain coarsening is similar to that proposed by Saito and Omura [Phys. Rev. E 84, 021601 (2011)PLEEE81539-375510.1103/PhysRevE.84.021601], in which nucleation occurs only at the substrate, and the grain boundary evolution at the film surface is determined by a probabilistic competition of neighboring grains. The surface grain density has a power-law decay, with an exponent related to the dynamical exponent of the underlying growth kinetics, and the average radius of gyration scales with the film thickness with the same exponent. This model is extended by allowing nucleation of new grains during the deposition, with constant but small rates. The surface grain density crosses over from the initial power law decay to a saturation; at the crossover, the time, grain mass, and surface grain density are estimated as a function of the nucleation rate. The distributions of grain mass, height, and radius of gyration show remarkable power law decays, similar to other systems with coarsening and particle injection, with exponents also related to the dynamical exponent. The scaling of the radius of gyration with the height h relative to the base of the grain show clearly different exponents in growth dominated by surface tension and growth dominated by surface diffusion; thus it may be interesting for investigating the effects of kinetic roughening on grain morphology. In growth dominated by surface diffusion, the increase of grain size with temperature is observed.

Understanding and Tailoring Grain Growth of Lead-Halide Perovskite for Solar Cell Application.

PubMed

Ma, Yongchao; Liu, Yanliang; Shin, Insoo; Hwang, In-Wook; Jung, Yun Kyung; Jeong, Jung Hyun; Park, Sung Heum; Kim, Kwang Ho

2017-10-04

The fundamental mechanism of grain growth evolution in the fabrication process from the precursor phase to the perovskite phase is not fully understood despite its importance in achieving high-quality grains in organic-inorganic hybrid perovskites, which are strongly affected by processing parameters. In this work, we investigate the fundamental conversion mechanism from the precursor phase of perovskite to the complete perovskite phase and how the intermediate phase promotes growth of the perovskite grains during the fabrication process. By monitoring the morphological evolution of the perovskite during the film fabrication process, we observed a clear rod-shaped intermediate phase in the highly crystalline perovskite and investigated the role of the nanorod intermediate phase on the growth of the grains of the perovskite film. Furthermore, on the basis of these findings, we developed a simple and effective method to tailor grain properties including the crystallinity, size, and number of grain boundaries, and then utilized the film with the tailored grains to develop perovskite solar cells.

In situ synchrotron study of electromigration induced grain rotations in Sn solder joints

NASA Astrophysics Data System (ADS)

Shen, Hao; Zhu, Wenxin; Li, Yao; Tamura, Nobumichi; Chen, Kai

2016-04-01

Here we report an in situ study of the early stage of microstructure evolution induced by electromigration in a Pb-free β-Sn based solder joint by synchrotron polychromatic X-ray microdiffraction. With this technique, crystal orientation evolution is monitored at intragranular levels with high spatial and angular resolution. During the entire experiment, no crystal growth is detected, and rigid grain rotation is observed only in the two grains within the current crowding region, where high density and divergence of electric current occur. Theoretical calculation indicates that the trend of electrical resistance drop still holds under the present conditions in the grain with high electrical resistivity, while the other grain with low resistivity reorients to align its a-axis more parallel with the ones of its neighboring grains. A detailed study of dislocation densities and subgrain boundaries suggests that grain rotation in β-Sn, unlike grain rotation in high melting temperature metals which undergo displacive deformation, is accomplished via diffusional process mainly, due to the high homologous temperature.

Genetic evidence for differential selection of grain and embryo weight during wheat evolution under domestication

PubMed Central

Golan, Guy; Oksenberg, Adi; Peleg, Zvi

2015-01-01

Wheat is one of the Neolithic founder crops domesticated ~10 500 years ago. Following the domestication episode, its evolution under domestication has resulted in various genetic modifications. Grain weight, embryo weight, and the interaction between those factors were examined among domesticated durum wheat and its direct progenitor, wild emmer wheat. Experimental data show that grain weight has increased over the course of wheat evolution without any parallel change in embryo weight, resulting in a significantly reduced (30%) embryo weight/grain weight ratio in domesticated wheat. The genetic factors associated with these modifications were further investigated using a population of recombinant inbred substitution lines that segregated for chromosome 2A. A cluster of loci affecting grain weight and shape was identified on the long arm of chromosome 2AL. Interestingly, a novel locus controlling embryo weight was mapped on chromosome 2AS, on which the wild emmer allele promotes heavier embryos and greater seedling vigour. To the best of our knowledge, this is the first report of a QTL for embryo weight in wheat. The results suggest a differential selection of grain and embryo weight during the evolution of domesticated wheat. It is argued that conscious selection by early farmers favouring larger grains and smaller embryos appears to have resulted in a significant change in endosperm weight/embryo weight ratio in the domesticated wheat. Exposing the genetic factors associated with endosperm and embryo size improves our understanding of the evolutionary dynamics of wheat under domestication and is likely to be useful for future wheat-breeding efforts. PMID:26019253

Continuum understanding of twin formation near grain boundaries of FCC metals with low stacking fault energy

NASA Astrophysics Data System (ADS)

Jung, Jaimyun; Yoon, Jae Ik; Kim, Jung Gi; Latypov, Marat I.; Kim, Jin You; Kim, Hyoung Seop

2017-12-01

Deformation twinning from grain boundaries is often observed in face-centered cubic metals with low stacking fault energy. One of the possible factors that contribute to twinning origination from grain boundaries is the intergranular interactions during deformation. Nonetheless, the influence of mechanical interaction among grains on twin evolution has not been fully understood. In spite of extensive experimental and modeling efforts on correlating microstructural features with their twinning behavior, a clear relation among the large aggregate of grains is still lacking. In this work, we characterize the micromechanics of grain-to-grain interactions that contribute to twin evolution by investigating the mechanical twins near grain boundaries using a full-field crystal plasticity simulation of a twinning-induced plasticity steel deformed in uniaxial tension at room temperature. Microstructures are first observed through electron backscatter diffraction technique to obtain data to reconstruct a statistically equivalent microstructure through synthetic microstructure building. Grain-to-grain micromechanical response is analyzed to assess the collective twinning behavior of the microstructural volume element under tensile deformation. Examination of the simulated results reveal that grain interactions are capable of changing the local mechanical behavior near grain boundaries by transferring strain across grain boundary or localizing strain near grain boundary.

Microstructural evolution of AZ31 magnesium alloy subjected to sliding friction treatment

NASA Astrophysics Data System (ADS)

Zhang, Wei; Lu, Jinwen; Huo, Wangtu; Zhang, Yusheng; Wei, Q.

2018-06-01

Microstructural evolution and grain refinement mechanism in AZ31 magnesium alloy subjected to sliding friction treatment were investigated by means of transmission electron microscopy. The process of grain refinement was found to involve the following stages: (I) coarse grains were divided into fine twin plates through mechanical twinning; then the twin plates were transformed to lamellae with the accumulation of residual dislocations at the twin boundaries; (II) the lamellae were separated into subgrains with increasing grain boundary misorientation and evolution of high angle boundaries into random boundaries by continuous dynamic recrystallisation (cDRX); (III) the formation of nanograins. The mechanisms for the final stage, the formation of nanograins, can be classified into three types: (i) cDRX; (ii) discontinuous dynamic recrystallisation (dDRX); (iii) a combined mechanism of prior shear-band and subsequent dDRX. Stored strain energy plays an important role in determining deformation mechanisms during plastic deformation.

Effect of one-step recrystallization on the grain boundary evolution of CoCrFeMnNi high entropy alloy and its subsystems.

PubMed

Chen, Bo-Ru; Yeh, An-Chou; Yeh, Jien-Wei

2016-02-29

In this study, the grain boundary evolution of equiatomic CoCrFeMnNi, CoCrFeNi, and FeCoNi alloys after one-step recrystallization were investigated. The special boundary fraction and twin density of these alloys were evaluated by electron backscatter diffraction analysis. Among the three alloys tested, FeCoNi exhibited the highest special boundary fraction and twin density after one-step recrystallization. The special boundary increment after one-step recrystallization was mainly affected by grain boundary velocity, while twin density was mainly affected by average grain boundary energy and twin boundary energy.

Improvement in plasma illumination properties of ultrananocrystalline diamond films by grain boundary engineering

NASA Astrophysics Data System (ADS)

Sankaran, K. J.; Srinivasu, K.; Chen, H. C.; Dong, C. L.; Leou, K. C.; Lee, C. Y.; Tai, N. H.; Lin, I. N.

2013-08-01

Microstructural evolution of ultrananocrystalline diamond (UNCD) films as a function of substrate temperature (TS) and/or by introducing H2 in Ar/CH4 plasma is investigated. Variation of the sp2 and sp3 carbon content is analyzed using UV-Raman and near-edge X-ray absorption fine structure spectra. Morphological and microstructural studies confirm that films deposited using Ar/CH4 plasma at low TS consist of a random distribution of spherically shaped ultra-nano diamond grains with distinct sp2-bonded grain boundaries, which are attributed to the adherence of CH radicals to the nano-sized diamond clusters. By increasing TS, adhering efficiency of CH radicals to the diamond lattice drops and trans-polyacetylene (t-PA) encapsulating the nano-sized diamond grains break, whereas the addition of 1.5% H2 in Ar/CH4 plasma at low TS induces atomic hydrogen that preferentially etches out the t-PA attached to ultra-nano diamond grains. Both cases make the sp3-diamond phase less passivated. This leads to C2 radicals attaching to the diamond lattice promoting elongated clustered grains along with a complicated defect structure. Such a grain growth model is highly correlated to explain the technologically important functional property, namely, plasma illumination (PI) of UNCD films. Superior PI properties, viz. low threshold field of 0.21 V/μm with a high PI current density of 4.10 mA/cm2 (at an applied field of 0.25 V/μm) and high γ-coefficient (0.2604) are observed for the UNCD films possessing ultra-nano grains with a large fraction of grain boundary phases. The grain boundary component consists of a large amount of sp2-carbon phases that possibly form interconnected paths for facilitating the transport of electrons and the electron field emission process that markedly enhance PI properties.

The Effect of Precipitate Evolution on Austenite Grain Growth in RAFM Steel.

PubMed

Yan, Biyu; Liu, Yongchang; Wang, Zejun; Liu, Chenxi; Si, Yonghong; Li, Huijun; Yu, Jianxing

2017-09-01

To study the effects of various types of precipitates and precipitate evolution behavior on austenite (size and phase fraction) in reduced activation ferritic/martensitic (RAFM) steel, RAFM steel was heated to various austenitizing temperatures. The microstructures of specimens were observed using optical microscopy (OM) and transmission electron microscopy (TEM). The results indicate that the M 23 C₆ and MX precipitates gradually coarsen and dissolve into the matrix as the austenitizing temperatures increase. The M 23 C₆ precipitates dissolve completely at 1100 °C, while the MX precipitates dissolve completely at 1200 °C. The evolution of two types of precipitate has a significant effect on the size of austenite. Based on the Zener pinning model, the effect of precipitate evolution on austenite grain size is quantified. It was found that the coarsening and dissolution of M 23 C₆ and MX precipitates leads to a decrease in pinning pressure on grain boundaries, facilitating the rapid growth of austenite grains. The austenite phase fraction is also affected by the coarsening and dissolution of precipitates.

The Effect of Precipitate Evolution on Austenite Grain Growth in RAFM Steel

PubMed Central

Yan, Biyu; Liu, Yongchang; Wang, Zejun; Liu, Chenxi; Si, Yonghong; Li, Huijun; Yu, Jianxing

2017-01-01

To study the effects of various types of precipitates and precipitate evolution behavior on austenite (size and phase fraction) in reduced activation ferritic/martensitic (RAFM) steel, RAFM steel was heated to various austenitizing temperatures. The microstructures of specimens were observed using optical microscopy (OM) and transmission electron microscopy (TEM). The results indicate that the M23C6 and MX precipitates gradually coarsen and dissolve into the matrix as the austenitizing temperatures increase. The M23C6 precipitates dissolve completely at 1100 °C, while the MX precipitates dissolve completely at 1200 °C. The evolution of two types of precipitate has a significant effect on the size of austenite. Based on the Zener pinning model, the effect of precipitate evolution on austenite grain size is quantified. It was found that the coarsening and dissolution of M23C6 and MX precipitates leads to a decrease in pinning pressure on grain boundaries, facilitating the rapid growth of austenite grains. The austenite phase fraction is also affected by the coarsening and dissolution of precipitates. PMID:28862680

Viscous shear heating instabilities in a 1-D viscoelastic shear zone

NASA Astrophysics Data System (ADS)

Homburg, J. M.; Coon, E. T.; Spiegelman, M.; Kelemen, P. B.; Hirth, G.

2010-12-01

Viscous shear instabilities may provide a possible mechanism for some intermediate depth earthquakes where high confining pressure makes it difficult to achieve frictional failure. While many studies have explored the feedback between temperature-dependent strain rate and strain-rate dependent shear heating (e.g. Braeck and Podladchikov, 2007), most have used thermal anomalies to initiate a shear instability or have imposed a low viscosity region in their model domain (John et al., 2009). By contrast, Kelemen and Hirth (2007) relied on an initial grain size contrast between a predetermined fine-grained shear zone and coarse grained host rock to initiate an instability. This choice is supported by observations of numerous fine grained ductile shear zones in shallow mantle massifs as well as the possibility that annealed fine grained fault gouge, formed at oceanic transforms, subduction related thrusts and ‘outer rise’ faults, could be carried below the brittle/ductile transition by subduction. Improving upon the work of Kelemen and Hirth (2007), we have developed a 1-D numerical model that describes the behavior of a Maxwell viscoelastic body with the rheology of dry olivine being driven at a constant velocity at its boundary. We include diffusion and dislocation creep, dislocation accommodated grain boundary sliding, and low-temperature plasticity (Peierls mechanism). Initial results suggest that including low-temperature plasticity inhibits the ability of the system to undergo an instability, similar to the results of Kameyama et al. (1999). This is due to increased deformation in the background allowing more shear heating to take place, and thus softening the system prior to reaching the peak stress. However if the applied strain rate is high enough (e.g. greater than 0.5 x 10-11 s-1 for a domain size of 2 km, an 8 m wide shear zone, a background grain size of 1 mm, a shear zone grain size of 150 μm, and an initial temperature of 650°C) dramatic instabilities can occur. The instability is enhanced by the development of a self-localizing thermal perturbation in the fine grained zone that is narrower than the original width of the fine-grained zone. To examine the effect of melting, we include a parameterization of partially molten rock viscosity as a function of temperature assuming a simple relationship between melt fraction and temperature. At T > ~1400°C, all other deformation mechanisms are deactivated but shear heating continues, allowing for continued temperature evolution. In addition a strain rate cap proportional to the shear wave velocity in olivine has been imposed, reflecting the maximum rate that changes in stress can be communicated through the system. While Kelemen and Hirth (2007) allowed for grain size evolution, this has not yet been implemented in our model. Adding grain size evolution as an additional strain softening mechanism would probably allow instabilities to develop at more geologically reasonable applied strain rates. In addition to discussing the stability of the olivine only system, we will explore grain size evolution during system evolution and evaluate the consequences that the grain size evolution and lithology have on the stability of the system.

An automatic granular structure generation and finite element analysis of heterogeneous semi-solid materials

NASA Astrophysics Data System (ADS)

Sharifi, Hamid; Larouche, Daniel

2015-09-01

The quality of cast metal products depends on the capacity of the semi-solid metal to sustain the stresses generated during the casting. Predicting the evolution of these stresses with accuracy in the solidification interval should be highly helpful to avoid the formation of defects like hot tearing. This task is however very difficult because of the heterogeneous nature of the material. In this paper, we propose to evaluate the mechanical behaviour of a metal during solidification using a mesh generation technique of the heterogeneous semi-solid material for a finite element analysis at the microscopic level. This task is done on a two-dimensional (2D) domain in which the granular structure of the solid phase is generated surrounded by an intergranular and interdendritc liquid phase. Some basic solid grains are first constructed and projected in the 2D domain with random orientations and scale factors. Depending on their orientation, the basic grains are combined to produce larger grains or separated by a liquid film. Different basic grain shapes can produce different granular structures of the mushy zone. As a result, using this automatic grain generation procedure, we can investigate the effect of grain shapes and sizes on the thermo-mechanical behaviour of the semi-solid material. The granular models are automatically converted to the finite element meshes. The solid grains and the liquid phase are meshed properly using quadrilateral elements. This method has been used to simulate the microstructure of a binary aluminium-copper alloy (Al-5.8 wt% Cu) when the fraction solid is 0.92. Using the finite element method and the Mie-Grüneisen equation of state for the liquid phase, the transient mechanical behaviour of the mushy zone under tensile loading has been investigated. The stress distribution and the bridges, which are formed during the tensile loading, have been detected.

Development of ultrafine-grained microstructure in Al-Cu-Mg alloy through equal-channel angular pressing

NASA Astrophysics Data System (ADS)

Sai Anuhya, Danam; Gupta, Ashutosh; Nayan, Niraj; Narayana Murty, S. V. S.; Manna, R.; Sastry, G. V. S.

2014-08-01

Al-Cu-Mg alloys are extensively used for riveting applications in aerospace industries due to their relatively high shear strength coupled with high plasticity. The significant advantage of using V65 aluminum alloy ((Al-4Cu-0.2Mg) for rivet application also stems from its significantly slower natural aging kinetics, which gives operational flexibility to carryout riveting operation even after 4 days of solution heat treatment, in contrast to its equivalent alloy AA2024.Rivets are usually made by cold heading of wire rods. In order to form a defect free rivet head, grain size control in wire rods is essential at each and every stage of processing right from casting onwards upto the final wire drawing stage. Wire drawing is carried out at room temperature to reduce diameter as well as impart good surface finish. In the present study, different microstructures in V65 alloy bars were produced by rolling at different temperatures (room temperature to 523K) and subsequently deformed by equal channel angular pressing (ECAP) at 423K upto an equivalent strain of 7. ECAP was carried out to study the effect of initial microstructure on grain refinement and degree of deformation on the evolution of ultrafine grain structure. The refinement of V65 alloy by ECAP is significantly influenced by Initial microstructure but amount of deformation strongly affects the evolution processes as revealed by optical microscopy and transmission electron microscopy.

Size and density sorting of dust grains in SPH simulations of protoplanetary discs

NASA Astrophysics Data System (ADS)

Pignatale, F. C.; Gonzalez, J.-F.; Cuello, Nicolas; Bourdon, Bernard; Fitoussi, Caroline

2017-07-01

The size and density of dust grains determine their response to gas drag in protoplanetary discs. Aerodynamical (size × density) sorting is one of the proposed mechanisms to explain the grain properties and chemical fractionation of chondrites. However, the efficiency of aerodynamical sorting and the location in the disc in which it could occur are still unknown. Although the effects of grain sizes and growth in discs have been widely studied, a simultaneous analysis including dust composition is missing. In this work, we present the dynamical evolution and growth of multicomponent dust in a protoplanetary disc using a 3D, two-fluid (gas+dust) smoothed particle hydrodynamics code. We find that the dust vertical settling is characterized by two phases: a density-driven phase that leads to a vertical chemical sorting of dust and a size-driven phase that enhances the amount of lighter material in the mid-plane. We also see an efficient radial chemical sorting of the dust at large scales. We find that dust particles are aerodynamically sorted in the inner disc. The disc becomes sub-solar in its Fe/Si ratio on the surface since the early stage of evolution but sub-solar Fe/Si can be also found in the outer disc-mid-plane at late stages. Aggregates in the disc mimic the physical and chemical properties of chondrites, suggesting that aerodynamical sorting played an important role in determining their final structure.

Characterization of the crystal structure, kinematics, stresses and rotations in angular granular quartz during compaction

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

Hurley, Ryan C.; Herbold, Eric B.; Pagan, Darren C.

Three-dimensional X-ray diffraction (3DXRD), a method for quantifying the position, orientation and elastic strain of large ensembles of single crystals, has recently emerged as an important tool for studying the mechanical response of granular materials during compaction. Applications have demonstrated the utility of 3DXRD and X-ray computed tomography (XRCT) for assessing strains, particle stresses and orientations, inter-particle contacts and forces, particle fracture mechanics, and porosity evolution in situ . Although past studies employing 3DXRD and XRCT have elucidated the mechanics of spherical particle packings and angular particle packings with a small number of particles, there has been limited effort tomore » date in studying angular particle packings with a large number of particles and in comparing the mechanics of these packings with those composed of a large number of spherical particles. Therefore, the focus of the present paper is on the mechanics of several hundred angular particles during compaction using in situ 3DXRD to study the crystal structure, kinematics, stresses and rotations of angular quartz grains. Comparisons are also made between the compaction response of angular grains and that of spherical grains, and stress-induced twinning within individual grains is discussed.« less

Characterization of the crystal structure, kinematics, stresses and rotations in angular granular quartz during compaction

DOE PAGES

Hurley, Ryan C.; Herbold, Eric B.; Pagan, Darren C.

2018-06-28

Three-dimensional X-ray diffraction (3DXRD), a method for quantifying the position, orientation and elastic strain of large ensembles of single crystals, has recently emerged as an important tool for studying the mechanical response of granular materials during compaction. Applications have demonstrated the utility of 3DXRD and X-ray computed tomography (XRCT) for assessing strains, particle stresses and orientations, inter-particle contacts and forces, particle fracture mechanics, and porosity evolution in situ . Although past studies employing 3DXRD and XRCT have elucidated the mechanics of spherical particle packings and angular particle packings with a small number of particles, there has been limited effort tomore » date in studying angular particle packings with a large number of particles and in comparing the mechanics of these packings with those composed of a large number of spherical particles. Therefore, the focus of the present paper is on the mechanics of several hundred angular particles during compaction using in situ 3DXRD to study the crystal structure, kinematics, stresses and rotations of angular quartz grains. Comparisons are also made between the compaction response of angular grains and that of spherical grains, and stress-induced twinning within individual grains is discussed.« less

Microstructure stability of ultra-fine grained magnesium alloy AZ31 processed by extrusion and equal-channel angular pressing (EX–ECAP)

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

Stráská, Jitka, E-mail: straska.jitka@gmail.com; Janeček, Miloš, E-mail: janecek@met.mff.cuni.cz; Čížek, Jakub, E-mail: jcizek@mbox.troja.mff.cuni.cz

Thermal stability of the ultra-fine grained (UFG) microstructure of magnesium AZ31 alloy was investigated. UFG microstructure was achieved by a combined two-step severe plastic deformation process: the extrusion (EX) and subsequent equal-channel angular pressing (ECAP). This combined process leads to refined microstructure and enhanced microhardness. Specimens with UFG microstructure were annealed isochronally at temperatures 150–500 °C for 1 h. The evolution of microstructure, mechanical properties and dislocation density was studied by electron backscatter diffraction (EBSD), microhardness measurements and positron annihilation spectroscopy (PAS). The coarsening of the fine-grained structure at higher temperatures was accompanied by a gradual decrease of the microhardnessmore » and decrease of dislocation density. Mechanism of grain growth was studied by general equation for grain growth and Arrhenius equation. Activation energies for grain growth were calculated to be 115, 33 and 164 kJ/mol in temperature ranges of 170–210 °C, 210–400 °C and 400–500 °C (443–483 K, 483–673 K and 673–773 K), respectively. - Highlights: • Microhardness of UFG AZ31 alloy decreases with increasing annealing temperature. • This fact has two reasons: dislocation annihilations and/or grain growth. • The activation energies for grain growth were calculated for all temperature ranges.« less

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

Taheri, M; Teslich, N; Lu, J P

An in situ method for studying the role of laser energy on the microstructural evolution of polycrystalline Si is presented. By monitoring both laser energy and microstructural evolution simultaneously in the dynamic transmission electron microscope, information on grain size and defect concentration can be correlated directly with processing conditions. This proof of principle study provides fundamental scientific information on the crystallization process that has technological importance for the development of thin film transistors. In conclusion, we successfully developed a method for studying UV laser processing of Si films in situ on nanosecond time scales, with ultimate implications for TFT applicationmore » improvements. In addition to grain size distribution as a function of laser energy density, we found that grain size scaled with laser energy in general. We showed that nanosecond time resolution allowed us to see the nucleation and growth front during processing, which will help further the understanding of microstructural evolution of poly-Si films for electronic applications. Future studies, coupled with high resolution TEM, will be performed to study grain boundary migration, intergranular defects, and grain size distribution with respect to laser energy and adsorption depth.« less

Bubble evolution in Kr-irradiated UO2 during annealing

NASA Astrophysics Data System (ADS)

He, L.; Bai, X. M.; Pakarinen, J.; Jaques, B. J.; Gan, J.; Nelson, A. T.; El-Azab, A.; Allen, T. R.

2017-12-01

Transmission electron microscopy observation of Kr bubble evolution in polycrystalline UO2 annealed at high temperature was conducted in order to understand the inert gas behavior in oxide nuclear fuel. The average diameter of intragranular bubbles increased gradually from 0.8 nm in as-irradiated sample at room temperature to 2.6 nm at 1600 °C and the bubble size distribution changed from a uniform distribution to a bimodal distribution above 1300 °C. The size of intergranular bubbles increased more rapidly than intragranular ones and bubble denuded zones near grain boundaries formed in all the annealed samples. It was found that high-angle grain boundaries held bigger bubbles than low-angle grain boundaries. Complementary atomistic modeling was conducted to interpret the effects of grain boundary character on the Kr segregation. The area density of strong segregation sites in the high-angle grain boundaries is much higher than that in the low angle grain boundaries.

Evolution of microstructure of Haynes 230 and Inconel 617 under mechanical testing at high temperatures

NASA Astrophysics Data System (ADS)

Hrutkay, Kyle

Haynes 230 and Inconel 617 are austenitic nickel based superalloys, which are candidate structural materials for next generation high temperature nuclear reactors. High temperature deformation behavior of Haynes 230 and Inconel 617 have been investigated at the microstructural level in order to gain a better understanding of mechanical properties. Tensile tests were performed at strain rates ranging from 10-3-10-5 s -1 at room temperature, 600 °C, 800 °C and 950 °C. Subsequent microstructural analysis, including Scanning Electron Microscopy, Transmission Electron Microscopy, Energy-Dispersive X-ray Spectroscopy, and X-Ray Diffraction were used to relate the microstructural evolution at high temperatures to that of room temperature samples. Grain sizes and precipitate morphologies were used to determine high temperature behavior and fracture mechanics. Serrated flow was observed at intermediate and high temperatures as a result of discontinuous slip and dynamic recrystallization. The amplitude of serration increased with a decrease in the strain rate and increase in the temperature. Dynamic strain ageing was responsible for serrations at intermediate temperatures by means of a locking and unlocking phenomenon between dislocations and solute atoms. Dynamic recrystallization nucleated by grain and twin bulging resulting in a refinement of grain size. Existing models found in the literature were discussed to explain both of these phenomena.

A Fine Grain, High Mn Steel with Excellent Cryogenic Temperature Properties and Corresponding Constitutive Behaviour

PubMed Central

Wang, Yuhui; Shi, Baodong; He, Yanming; Zhang, Hongwang; Peng, Yan

2018-01-01

A Fe-34.5 wt % Mn-0.04 wt % C ultra-high Mn steel with a fully recrystallised fine-grained structure was produced by cold rolling and subsequent annealing. The steel exhibited excellent cryogenic temperature properties with enhanced work hardening rate, high tensile strength, and high uniform elongation. In order to capture the unique mechanical behaviour, a constitutive model within finite strain plasticity framework based on Hill-type yield function was established with standard Armstrong-Frederick type isotropic hardening. In particular, the evolution of isotropic hardening was determined by the content of martensite; thus, a relationship between model parameters and martensite content is built explicitly. PMID:29414840

An in situ USAXS–SAXS–WAXS study of precipitate size distribution evolution in a model Ni-based alloy

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

Andrews, Ross N.; Serio, Joseph A.; Muralidharan, Govindarajan

Intermetallic γ' precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS–SAXS–WAXS) analysis can be used to evaluate the temporal evolution of an alloy's precipitate size distribution (PSD) and phase structure duringin situheat treatment. Analysis of PSDs from USAXS–SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoidinga prioridefinition of a functional form of the PSD. However, strong low-qscattering from grain boundaries and/or structuremore » factor effects inhibit MaxEnt analysis of typical alloys. Lastly, this work describes the extension of Bayesian–MaxEnt analysis methods to data exhibiting structure factor effects and low-qpower law slopes and demonstrates their use in anin situstudy of precipitate size evolution during heat treatment of a model Ni–Al–Si alloy.« less

An in situ USAXS–SAXS–WAXS study of precipitate size distribution evolution in a model Ni-based alloy

DOE PAGES

Andrews, Ross N.; Serio, Joseph A.; Muralidharan, Govindarajan; ...

2017-05-30

Intermetallic γ' precipitates typically strengthen nickel-based superalloys. The shape, size and spatial distribution of strengthening precipitates critically influence alloy strength, while their temporal evolution characteristics determine the high-temperature alloy stability. Combined ultra-small-, small- and wide-angle X-ray scattering (USAXS–SAXS–WAXS) analysis can be used to evaluate the temporal evolution of an alloy's precipitate size distribution (PSD) and phase structure duringin situheat treatment. Analysis of PSDs from USAXS–SAXS data employs either least-squares fitting of a preordained PSD model or a maximum entropy (MaxEnt) approach, the latter avoidinga prioridefinition of a functional form of the PSD. However, strong low-qscattering from grain boundaries and/or structuremore » factor effects inhibit MaxEnt analysis of typical alloys. Lastly, this work describes the extension of Bayesian–MaxEnt analysis methods to data exhibiting structure factor effects and low-qpower law slopes and demonstrates their use in anin situstudy of precipitate size evolution during heat treatment of a model Ni–Al–Si alloy.« less

A process model for the heat-affected zone microstructure evolution in duplex stainless steel weldments: Part I. the model

NASA Astrophysics Data System (ADS)

Hemmer, H.; Grong, Ø.

1999-11-01

The present investigation is concerned with modeling of the microstructure evolution in duplex stainless steels under thermal conditions applicable to welding. The important reactions that have been modeled are the dissolution of austenite during heating, subsequent grain growth in the delta ferrite regime, and finally, the decomposition of the delta ferrite to austenite during cooling. As a starting point, a differential formulation of the underlying diffusion problem is presented, based on the internal-state variable approach. These solutions are later manipulated and expressed in terms of the Scheil integral in the cases where the evolution equation is separable or can be made separable by a simple change of variables. The models have then been applied to describe the heat-affected zone microstructure evolution during both thick-plate and thin-plate welding of three commercial duplex stainless steel grades: 2205, 2304, and 2507. The results may conveniently be presented in the form of novel process diagrams, which display contours of constant delta ferrite grain size along with information about dissolution and reprecipitation of austenite for different combinations of weld input energy and peak temperature. These diagrams are well suited for quantitative readings and illustrate, in a condensed manner, the competition between the different variables that lead to structural changes during welding of duplex stainless steels.

The Influence of Grain Structure on Intermetallic Compound Layer Growth Rates in Fe-Al Dissimilar Welds

NASA Astrophysics Data System (ADS)

Xu, Lei; Robson, Joseph D.; Wang, Li; Prangnell, Philip B.

2018-02-01

The thickness of the intermetallic compound (IMC) layer that forms when aluminum is welded to steel is critical in determining the properties of the dissimilar joints. The IMC reaction layer typically consists of two phases ( η and θ) and many attempts have been made to determine the apparent activation energy for its growth, an essential parameter in developing any predictive model for layer thickness. However, even with alloys of similar composition, there is no agreement of the correct value of this activation energy. In the present work, the IMC layer growth has been characterized in detail for AA6111 aluminum to DC04 steel couples under isothermal annealing conditions. The samples were initially lightly ultrasonically welded to produce a metallic bond, and the structure and thickness of the layer were then characterized in detail, including tracking the evolution of composition and grain size in the IMC phases. A model developed previously for Al-Mg dissimilar welds was adapted to predict the coupled growth of the two phases in the layer, whilst accounting explicitly for grain boundary and lattice diffusion, and considering the influence of grain growth. It has been shown that the intermetallic layer has a submicron grain size, and grain boundary diffusion as well as grain growth plays a critical role in determining the thickening rate for both phases. The model was used to demonstrate how this explains the wide scatter in the apparent activation energies previously reported. From this, process maps were developed that show the relative importance of each diffusion path to layer growth as a function of temperature and time.

Millimeter Studies of Nearby Debris Disks

NASA Astrophysics Data System (ADS)

MacGregor, Meredith A.

2017-01-01

At least 20% of nearby main sequence stars are known to be surrounded by disks of dusty material resulting from the collisional erosion of planetesimals, larger bodies similar to asteroids and comets in our own Solar System. Since the dust-producing planetesimals are expected to persist in stable regions like belts and resonances, the locations, morphologies, and physical properties of dust in these ‘debris disks’ provide probes of planet formation and subsequent dynamical evolution. Observations at millimeter wavelengths are especially critical to our understanding of these systems, since the large grains that dominate emission at these long wavelengths do not travel far from their origin and therefore reliably trace the underlying planetesimal distribution. The newly upgraded capabilities of millimeter interferometers like ALMA are providing us with the opportunity to image these disks with unprecedented sensitivity and resolution. In this dissertation talk, I will present my ongoing work, which uses observations of the angularly resolved brightness distribution and the spectral dependence of the flux density to constrain both the structure and grain size distribution of a sample of nearby debris disks. I will present constraints on the position, width, surface density gradient, and any asymmetric structure of several debris disks (including Epsilon Eridani, Tau Ceti, and Fomalhaut) determined from ALMA and SMA observations. In addition, I will present the results of a survey using the VLA and ATCA to measure the long wavelength spectral index and thus the grain size distribution of fifteen debris disks. Together these results provide a foundation to investigate the dynamical evolution of planetary systems through multi-wavelength observations of debris disks.

Growth model and structure evolution of Ag layers deposited on Ge films.

PubMed

Ciesielski, Arkadiusz; Skowronski, Lukasz; Górecka, Ewa; Kierdaszuk, Jakub; Szoplik, Tomasz

2018-01-01

We investigated the crystallinity and optical parameters of silver layers of 10-35 nm thickness as a function 2-10 nm thick Ge wetting films deposited on SiO 2 substrates. X-ray reflectometry (XRR) and X-ray diffraction (XRD) measurements proved that segregation of germanium into the surface of the silver film is a result of the gradient growth of silver crystals. The free energy of Ge atoms is reduced by their migration from boundaries of larger grains at the Ag/SiO 2 interface to boundaries of smaller grains near the Ag surface. Annealing at different temperatures and various durations allowed for a controlled distribution of crystal dimensions, thus influencing the segregation rate. Furthermore, using ellipsometric and optical transmission measurements we determined the time-dependent evolution of the film structure. If stored under ambient conditions for the first week after deposition, the changes in the transmission spectra are smaller than the measurement accuracy. Over the course of the following three weeks, the segregation-induced effects result in considerably modified transmission spectra. Two months after deposition, the slope of the silver layer density profile derived from the XRR spectra was found to be inverted due to the completed segregation process, and the optical transmission spectra increased uniformly due to the roughened surfaces, corrosion of silver and ongoing recrystallization. The Raman spectra of the Ge wetted Ag films were measured immediately after deposition and ten days later and demonstrated that the Ge atoms at the Ag grain boundaries form clusters of a few atoms where the Ge-Ge bonds are still present.

Biophysics of protein evolution and evolutionary protein biophysics

PubMed Central

Sikosek, Tobias; Chan, Hue Sun

2014-01-01

The study of molecular evolution at the level of protein-coding genes often entails comparing large datasets of sequences to infer their evolutionary relationships. Despite the importance of a protein's structure and conformational dynamics to its function and thus its fitness, common phylogenetic methods embody minimal biophysical knowledge of proteins. To underscore the biophysical constraints on natural selection, we survey effects of protein mutations, highlighting the physical basis for marginal stability of natural globular proteins and how requirement for kinetic stability and avoidance of misfolding and misinteractions might have affected protein evolution. The biophysical underpinnings of these effects have been addressed by models with an explicit coarse-grained spatial representation of the polypeptide chain. Sequence–structure mappings based on such models are powerful conceptual tools that rationalize mutational robustness, evolvability, epistasis, promiscuous function performed by ‘hidden’ conformational states, resolution of adaptive conflicts and conformational switches in the evolution from one protein fold to another. Recently, protein biophysics has been applied to derive more accurate evolutionary accounts of sequence data. Methods have also been developed to exploit sequence-based evolutionary information to predict biophysical behaviours of proteins. The success of these approaches demonstrates a deep synergy between the fields of protein biophysics and protein evolution. PMID:25165599

Time evolution as refining, coarse graining and entangling

NASA Astrophysics Data System (ADS)

Dittrich, Bianca; Steinhaus, Sebastian

2014-12-01

We argue that refining, coarse graining and entangling operators can be obtained from time evolution operators. This applies in particular to geometric theories, such as spin foams. We point out that this provides a construction principle for the physical vacuum in quantum gravity theories and more generally allows construction of a (cylindrically) consistent continuum limit of the theory.

Dust Evolution in Nova Cassiopeia 1993

NASA Astrophysics Data System (ADS)

Eyres, S. P. S.; Evans, A.; Geballe, T. R.; Davies, J. K.; Rawlings, J. M. C.

1997-07-01

We present UKIRT spectroscopy of Nova Cassiopeia 1993 (= V705 Cas) in KLNQ bands, taken in 1994 and 1995. Fitting the continuum indicates a dust temperature T ˜ 740 750 K in the latter part of 1994; this is similar to earlier measurements, and consistent with the “isothermal” behaviour observed in novae with optically thick dust shells. The β-index drops from 0.8 to 0.4 over the same period. This suggests grain growth; grain diameter increases from < 0.54 µm around day 256, to > 0.57 µm by day 342. The UIR features differ from those in other Galactic sources, and are similar to those in V842 Cen. This suggests fundamental differences between the UIR carriers, or environments, in novae and other Galactic sources. The silicate feature is consistent with an amorphous structure, in contrast to previous novae. We believe that grains in V705 Cas form two populations: silicates, and hydrocarbons.

Debris Disk Studies with the ngVLA

NASA Astrophysics Data System (ADS)

Wilner, David; Matthews, Brenda; Matra, Luca; Kennedy, Grant; Wyatt, Mark; Greaves, Jane

2018-01-01

We discuss the potential for the ngVLA to advance understanding of debris disks around main-sequence stars. Since the dust-producing planetesimals that replenish these disks through collisions persist only in stable regions like belts and resonances, their locations and physical properties encode essential information about the formation of exoplanetary systems and their dynamical evolution. Observations at long millimeter wavelengths can play a special role because the large grains that dominate the emission are faithful tracers of the dust-producing planetesimals, unlike small grains seen at shorter wavelengths that are rapidly redistributed by stellar radiation and winds. Sensitive observations of debris disks with the ngVLA can (1) reveal structures resulting from otherwise inaccessible planets on wide orbits, (2) test collisional models using spectral slopes to constrain mm/cm grain size distributions, and (3) for select sources, probe the water content of exocomets using the 21 cm HI line.

Photoexcited Carrier Dynamics of Cu 2S Thin Films

DOE PAGES

Riha, Shannon C.; Schaller, Richard D.; Gosztola, David J.; ...

2014-11-11

Copper sulfide is a simple binary material with promising attributes for low-cost thin film photovoltaics. However, stable Cu 2S-based device efficiencies approaching 10% free from cadmium have yet to be realized. In this paper, transient absorption spectroscopy is used to investigate the dynamics of the photoexcited state of isolated Cu 2S thin films prepared by atomic layer deposition or vapor-based cation exchange of ZnS. While a number of variables including film thickness, carrier concentration, surface oxidation, and grain boundary passivation were examined, grain structure alone was found to correlate with longer lifetimes. A map of excited state dynamics is deducedmore » from the spectral evolution from 300 fs to 300 μs. Finally, revealing the effects of grain morphology on the photophysical properties of Cu 2S is a crucial step toward reaching high efficiencies in operationally stable Cu 2S thin film photovoltaics.« less

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

Wang, Zhangwei; Baker, Ian; Guo, Wei

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

Genetic evidence for differential selection of grain and embryo weight during wheat evolution under domestication.

PubMed

Golan, Guy; Oksenberg, Adi; Peleg, Zvi

2015-09-01

Wheat is one of the Neolithic founder crops domesticated ~10 500 years ago. Following the domestication episode, its evolution under domestication has resulted in various genetic modifications. Grain weight, embryo weight, and the interaction between those factors were examined among domesticated durum wheat and its direct progenitor, wild emmer wheat. Experimental data show that grain weight has increased over the course of wheat evolution without any parallel change in embryo weight, resulting in a significantly reduced (30%) embryo weight/grain weight ratio in domesticated wheat. The genetic factors associated with these modifications were further investigated using a population of recombinant inbred substitution lines that segregated for chromosome 2A. A cluster of loci affecting grain weight and shape was identified on the long arm of chromosome 2AL. Interestingly, a novel locus controlling embryo weight was mapped on chromosome 2AS, on which the wild emmer allele promotes heavier embryos and greater seedling vigour. To the best of our knowledge, this is the first report of a QTL for embryo weight in wheat. The results suggest a differential selection of grain and embryo weight during the evolution of domesticated wheat. It is argued that conscious selection by early farmers favouring larger grains and smaller embryos appears to have resulted in a significant change in endosperm weight/embryo weight ratio in the domesticated wheat. Exposing the genetic factors associated with endosperm and embryo size improves our understanding of the evolutionary dynamics of wheat under domestication and is likely to be useful for future wheat-breeding efforts. © The Author 2015. Published by Oxford University Press on behalf of the Society for Experimental Biology.

Enforcing dust mass conservation in 3D simulations of tightly coupled grains with the PHANTOM SPH code

NASA Astrophysics Data System (ADS)

Ballabio, G.; Dipierro, G.; Veronesi, B.; Lodato, G.; Hutchison, M.; Laibe, G.; Price, D. J.

2018-06-01

We describe a new implementation of the one-fluid method in the SPH code PHANTOM to simulate the dynamics of dust grains in gas protoplanetary discs. We revise and extend previously developed algorithms by computing the evolution of a new fluid quantity that produces a more accurate and numerically controlled evolution of the dust dynamics. Moreover, by limiting the stopping time of uncoupled grains that violate the assumptions of the terminal velocity approximation, we avoid fatal numerical errors in mass conservation. We test and validate our new algorithm by running 3D SPH simulations of a large range of disc models with tightly and marginally coupled grains.

A highly efficient 3D level-set grain growth algorithm tailored for ccNUMA architecture

NASA Astrophysics Data System (ADS)

Mießen, C.; Velinov, N.; Gottstein, G.; Barrales-Mora, L. A.

2017-12-01

A highly efficient simulation model for 2D and 3D grain growth was developed based on the level-set method. The model introduces modern computational concepts to achieve excellent performance on parallel computer architectures. Strong scalability was measured on cache-coherent non-uniform memory access (ccNUMA) architectures. To achieve this, the proposed approach considers the application of local level-set functions at the grain level. Ideal and non-ideal grain growth was simulated in 3D with the objective to study the evolution of statistical representative volume elements in polycrystals. In addition, microstructure evolution in an anisotropic magnetic material affected by an external magnetic field was simulated.

Effect of one-step recrystallization on the grain boundary evolution of CoCrFeMnNi high entropy alloy and its subsystems

PubMed Central

Chen, Bo-Ru; Yeh, An-Chou; Yeh, Jien-Wei

2016-01-01

In this study, the grain boundary evolution of equiatomic CoCrFeMnNi, CoCrFeNi, and FeCoNi alloys after one-step recrystallization were investigated. The special boundary fraction and twin density of these alloys were evaluated by electron backscatter diffraction analysis. Among the three alloys tested, FeCoNi exhibited the highest special boundary fraction and twin density after one-step recrystallization. The special boundary increment after one-step recrystallization was mainly affected by grain boundary velocity, while twin density was mainly affected by average grain boundary energy and twin boundary energy. PMID:26923713

Simulating galactic dust grain evolution on a moving mesh

NASA Astrophysics Data System (ADS)

McKinnon, Ryan; Vogelsberger, Mark; Torrey, Paul; Marinacci, Federico; Kannan, Rahul

2018-05-01

Interstellar dust is an important component of the galactic ecosystem, playing a key role in multiple galaxy formation processes. We present a novel numerical framework for the dynamics and size evolution of dust grains implemented in the moving-mesh hydrodynamics code AREPO suited for cosmological galaxy formation simulations. We employ a particle-based method for dust subject to dynamical forces including drag and gravity. The drag force is implemented using a second-order semi-implicit integrator and validated using several dust-hydrodynamical test problems. Each dust particle has a grain size distribution, describing the local abundance of grains of different sizes. The grain size distribution is discretised with a second-order piecewise linear method and evolves in time according to various dust physical processes, including accretion, sputtering, shattering, and coagulation. We present a novel scheme for stochastically forming dust during stellar evolution and new methods for sub-cycling of dust physics time-steps. Using this model, we simulate an isolated disc galaxy to study the impact of dust physical processes that shape the interstellar grain size distribution. We demonstrate, for example, how dust shattering shifts the grain size distribution to smaller sizes resulting in a significant rise of radiation extinction from optical to near-ultraviolet wavelengths. Our framework for simulating dust and gas mixtures can readily be extended to account for other dynamical processes relevant in galaxy formation, like magnetohydrodynamics, radiation pressure, and thermo-chemical processes.

Comparison Between Different Processing Schedules for the Development of Ultrafine-Grained Dual-Phase Steel

NASA Astrophysics Data System (ADS)

Karmakar, Anish; Sivaprasad, S.; Nath, S. K.; Misra, R. D. K.; Chakrabarti, Debalay

2014-05-01

A comparative study was carried out on the development of ultrafine-grained dual-phase (DP) (ferrite-martensite) structures in a low-carbon microalloyed steel processed using two thermomechanical processing routes, (i) intercritical deformation and (ii) warm-deformation and intercritical annealing. The samples were deformed using Gleeble3500® simulator, maintaining a constant total strain ( ɛ = 1) and strain rate ( = 1/s). Evolution of microstructure and micro-texture was investigated by SEM, TEM, and EBSD. Ultrafine-grained DP structures could be formed by careful selection of deformation temperature, T def (for intercritical deformation) or annealing temperature, T anneal (for warm-deformation and annealing). Overall, the ferrite grain sizes ranged from 1.5 to 4.0 μm, and the sizes and fractions of the uniformly distributed fine-martensitic islands ranged from 1.5 to 3.0 μm and 15 to 45 pct, respectively. Dynamic strain-induced austenite-to-ferrite transformation followed by continuous (dynamic) recrystallization of the ferrite dictated the grain refinement during intercritical deformation, while, continuous (static) recrystallization by pronounced recovery dictated the grain refinement during the warm-deformation and the annealing. Regarding intercritical deformation, the samples cooled to T def indicated finer grain size compared with the samples heated to T def, which are explained in terms of the effects of strain partitioning on the ferrite and the heating during deformation. Alpha-fiber components dominated the texture in all the samples, and the fraction of high-angle boundaries (with >15 deg misorientation) increased with the increasing T def or T anneal, depending on the processing schedule. Fine carbide particles, microalloyed precipitates and austenitic islands played important roles in defining the mechanism of grain refinement that involved retarding conventional ferrite recrystallization and ferrite grain growth. With regard to the intercritical deformation, warm-deformation followed by annealing is a simpler process to control in the rolling mill; however, the need for high-power rolling mill and controlled annealing facility imposes industrial challenges.

Effect of footwall structures on kinematic evolution of dominant thrusts from hinterland of an orogenic wedge: Insights from Sikkim Himalayan FTB

NASA Astrophysics Data System (ADS)

Ghosh, Pritam; Bhattacharyya, Kathakali

2017-04-01

Deformation profile of a thrust sheet is generally characterized by a dominance of simple-shear toward the base and pure-shear higher up. In this study, we attempt to examine the effect of underlying footwall structure on the evolution of such a deformation profile with time. We focus on two dominant thrusts of the Sikkim Himalayan FTB, the northern most Main Central thrust (MCT) and its major footwall thrust, the Pelling thrust (PT). The MCT and the PT sheets are folded in an E-W trending antiform-synform pair by the growth of the underlying Lesser Himalayan duplex. The PT acts as the roof thrust of the duplex. The coarse-grained, quartzo-feldspathic gneissic protoliths transform into quartz-mica mylonite forming ˜1170m thick amphibolite facies MCT zone and ˜938m thick greenschist facies PT zone. Due to the forelandward progression of deformation front, the overlying MCT foliation is superposed by the underlying PT foliation. Within both the fault zones, quartz has undergone grain-size reduction dominantly by dislocation creep, and feldspar by fracturing mechanism. Interestingly, microfracturing is more dominant in MCT zone than in the PT zone. Additionally, pressure solution is significantly higher in the PT zone than in the MCT. Thus, there is a spatial variation in deformation mechanisms within the MCT and PT zones. Based on recrystallized quartz grain-sizes, we estimate deformation temperatures of ˜430˚ C-510˚ C and ˜400˚ C-430˚ C within the MCT and the PT, respectively. Both quartz and feldspar grains record a higher flattening strain in the MCT zone than in the PT zone. We infer fracturing and pressure solution accommodated a significant amount of strain, thereby under-representing the viscoplastic strain. Estimation of kinematic vorticity from two different incremental strain markers, namely oblique-fabric and subgrains, indicate both the MCT and the PT zones record a progressively higher pure-shear dominated deformation with time. The PT zone records a higher pure-shear than the MCT zone. Therefore, integration of structural geometry, microstructure and kinematic data suggest that the PT fault zone records the effect of footwall duplex more prominently than the MCT fault zone. We attribute the temporal evolution toward a pure-shear dominated deformation within the PT zone due to the growth of the underlying Lesser Himalayan duplex.

3D Microstructural Architectures for Metal and Alloy Components Fabricated by 3D Printing/Additive Manufacturing Technologies

NASA Astrophysics Data System (ADS)

Martinez, E.; Murr, L. E.; Amato, K. N.; Hernandez, J.; Shindo, P. W.; Gaytan, S. M.; Ramirez, D. A.; Medina, F.; Wicker, R. B.

The layer-by-layer building of monolithic, 3D metal components from selectively melted powder layers using laser or electron beams is a novel form of 3D printing or additive manufacturing. Microstructures created in these 3D products can involve novel, directional solidification structures which can include crystallographically oriented grains containing columnar arrays of precipitates characteristic of a microstructural architecture. These microstructural architectures are advantageously rendered in 3D image constructions involving light optical microscopy and scanning and transmission electron microscopy observations. Microstructural evolution can also be effectively examined through 3D image sequences which, along with x-ray diffraction (XRD) analysis in the x-y and x-z planes, can effectively characterize related crystallographic/texture variances. This paper compares 3D microstructural architectures in Co-base and Ni-base superalloys, columnar martensitic grain structures in 17-4 PH alloy, and columnar copper oxides and dislocation arrays in copper.

Quantitative analysis of dislocation arrangements induced by electromigration in a passivated Al (0.5 wt % Cu) interconnect

NASA Astrophysics Data System (ADS)

Barabash, R. I.; Ice, G. E.; Tamura, N.; Valek, B. C.; Bravman, J. C.; Spolenak, R.; Patel, J. R.

2003-05-01

Electromigration during accelerated testing can induce plastic deformation in apparently undamaged Al interconnect lines as recently revealed by white beam scanning x-ray microdiffraction. In the present article, we provide a first quantitative analysis of the dislocation structure generated in individual micron-sized Al grains during an in situ electromigration experiment. Laue reflections from individual interconnect grains show pronounced streaking during the early stages of electromigration. We demonstrate that the evolution of the dislocation structure during electromigration is highly inhomogeneous and results in the formation of unpaired randomly distributed dislocations as well as geometrically necessary dislocation boundaries. Approximately half of all unpaired dislocations are grouped within the walls. The misorientation created by each boundary and density of unpaired individual dislocations is determined. The origin of the observed plastic deformation is considered in view of the constraints for dislocation arrangements under the applied electric field during electromigration.

Influence of low-temperature annealing time on the evolution of the structure and mechanical properties of a titanium Ti-Al-V alloy in the submicrocrystalline state

NASA Astrophysics Data System (ADS)

Ratochka, I. V.; Lykova, O. N.; Naidenkin, E. V.

2015-03-01

The effect of annealing at 673 K for 6-24 h on the structural and phase state and mechanical properties of the titanium alloy of a Ti-Al-V system that was previously subjected to severe plastic deformation by uniform compression deformation, has been studied. It has been established that these annealings lead to a nonmontonic dependence of the mechanical properties of the alloy on the annealing time. It has been shown that the annealing of the Ti-Al-V alloy in a submicrocrystalline state is accompanied by simultaneous hardening processes, i.e., the formation of fine particles during phase transformations and the formation of new nanosized grains, and softening processes, i.e., recovery processes and the growth grains to micron sizes. The prevalence of a given process during annealing determines the deterioration or improvement of the alloy's mechanical properties.

In situ synchrotron study of electromigration induced grain rotations in Sn solder joints

DOE PAGES

Shen, Hao; Zhu, Wenxin; Li, Yao; ...

2016-04-18

In this paper we report an in situ study of the early stage of microstructure evolution induced by electromigration in a Pb-free β-Sn based solder joint by synchrotron polychromatic X-ray microdiffraction. With this technique, crystal orientation evolution is monitored at intragranular levels with high spatial and angular resolution. During the entire experiment, no crystal growth is detected, and rigid grain rotation is observed only in the two grains within the current crowding region, where high density and divergence of electric current occur. Theoretical calculation indicates that the trend of electrical resistance drop still holds under the present conditions in themore » grain with high electrical resistivity, while the other grain with low resistivity reorients to align its a-axis more parallel with the ones of its neighboring grains. A detailed study of dislocation densities and subgrain boundaries suggests that grain rotation in β-Sn, unlike grain rotation in high melting temperature metals which undergo displacive deformation, is accomplished via diffusional process mainly, due to the high homologous temperature.« less

The Microstructural Evolution and Special Flow Behavior of Ti-5Al-2Sn-2Zr-4Mo-4Cr During Isothermal Compression at a Low Strain Rate

NASA Astrophysics Data System (ADS)

Sun, J. Z.; Li, M. Q.; Li, H.

2017-09-01

The microstructural evolution and special flow behavior of Ti-5Al-2Sn-2Zr-4Mo-4Cr during isothermal compression at a strain rate of 0.0001 s-1 were investigated. The dislocation climbs in elongated α grains resulted in the formation of low-angle boundaries that transform into high-angle boundaries with greater deformation, and the elongated α grains subsequently separated into homogenous globular α grains with the penetration of the β phase. The simultaneous occurrence of discontinuous dynamic recrystallization and continuous dynamic recrystallization in the primary β grains resulted in a trimode grain distribution. The β grains surrounded by dislocations presented an equilateral-hexagonal morphology, which suggests that grain boundary sliding through dislocation climbs was the main deformation mechanism. The true stress-strain curves for 1073 and 1113 K abnormally intersect at a strain of 0.35, related to the α → β phase transformation and distinct growth of the β grain size.

Structural control of the upper plate on the down-dip segmentation of subduction dynamics

NASA Astrophysics Data System (ADS)

Shi, Q.; Barbot, S.; Karato, S. I.; Shibazaki, B.; Matsuzawa, T.; Tapponnier, P.

2017-12-01

The geodetic and seismic discoveries of slow earthquakes in subduction zones have provided the observational evidence for the existence of the transition between megathrust earthquakes and the creeping behaviors. However, the mechanics behind slow earthquakes, and the period differential motion between the subducting slab and the overlying plate below the seismogenic zone, remain controversial. In Nankai subduction zone, the very-low-frequency earthquakes (VLFE), megathrust earthquakes, long-term slow earthquakes (duration of months or years) and the episodic tremor and slip zone (ETS) are located within the accretionary prism, the continental upper crust, the continental lower crust and the upmost mantle of the overriding plate, respectively. We use the rate-and-state friction law to simulate the periodic occurrence of VLFEs, megathrust earthquakes and the tremors in the ETS zone because of relatively high rock strength within these depth ranges. However, it is not feasible to use frictional instabilities to explain the long-term slow earthquakes in the lower crust where the ductile rock physics plays a significant role in the large-scale deformation. Here, our numerical simulations show that slow earthquakes at the depth of the lower crust may be the results of plastic instabilities in a finite volume of ductile material accompanying by the grain-size evolution. As the thickness of the fault zone increases with depth, deformation becomes distributed and the dynamic equilibrium of grain size, as a competition between thermally activated grain growth and damage-related grain size reduction, results in cycles of strain acceleration and strain deficit. In addition, we took into account the elevated pore pressure in the accretinary prism which is associated with small stress drop and low-frequency content of VLFEs and may contribute to the occurrence of tsunamigenic earthquakes. Hence, in our numerical simulations for the plate boundary system in Nankai, the down-sip segmentation of the subduction dynamic is attributed to the upper plate structure that vary with depth. The high pore pressure, grain-size evolution and alternation of the rock physics may explain the existence and the periodicity of different slow earthquakes from shallow to deep regions in the subduction zone.

Microstructure evolution in dissimilar AA6060/copper friction stir welded joints

NASA Astrophysics Data System (ADS)

Kalashnikova, T. A.; Shvedov, M. A.; Vasilyev, P. A.

2017-12-01

Friction stir welding process has been applied for making a dissimilar copper/aluminum alloy joint. The grain microstructure and mechanical properties of the obtained joint were studied. The structure of the cross-section of the FSW compound was analyzed. The microstructural evolution of the joint was examined using optical microscopy. The mechanical properties of the intermetallic particles were evaluated by measuring the microhardness according to the Vickers method. The microhardness of the intermetallic particles was by a factor of 4 lower than that of the particles obtained by fusion welding. The results of the investigations enable using friction stir welding for making dissimilar joints.

Evolution of bioconvective patterns in variable gravity

NASA Technical Reports Server (NTRS)

Noever, David A.

1991-01-01

Measurements are reported of the evolution of bioconvective patterns in shallow, dense cultures of microorganisms subjected to varying gravity. Various statistical properties of this random, quasi-two-dimensional structure have been found: Aboav's law is obeyed, the average vertex angles follow predictions for regular polygons, and the area of a pattern varies linearly with its number of sides. As gravity varies between 1 g and 1.8 g, these statistical properties continue to hold despite a tripling of the number of polygons and a reduced average polygon dimension by a third. This work compares with experiments on soap foams, Langmuir monolayer foams, metal grains, and simulations.

The crucial effect of early-stage gelation on the mechanical properties of cement hydrates

NASA Astrophysics Data System (ADS)

Ioannidou, Katerina; Kanduč, Matej; Li, Lunna; Frenkel, Daan; Dobnikar, Jure; Del Gado, Emanuela

2016-07-01

Gelation and densification of calcium-silicate-hydrate take place during cement hydration. Both processes are crucial for the development of cement strength, and for the long-term evolution of concrete structures. However, the physicochemical environment evolves during cement formation, making it difficult to disentangle what factors are crucial for the mechanical properties. Here we use Monte Carlo and Molecular Dynamics simulations to study a coarse-grained model of cement formation, and investigate the equilibrium and arrested states. We can correlate the various structures with the time evolution of the interactions between the nano-hydrates during the preparation of cement. The novel emerging picture is that the changes of the physicochemical environment, which dictate the evolution of the effective interactions, specifically favour the early gel formation and its continuous densification. Our observations help us understand how cement attains its unique strength and may help in the rational design of the properties of cement and related materials.

The crucial effect of early-stage gelation on the mechanical properties of cement hydrates

PubMed Central

Ioannidou, Katerina; Kanduč, Matej; Li, Lunna; Frenkel, Daan; Dobnikar, Jure; Del Gado, Emanuela

2016-01-01

Gelation and densification of calcium–silicate–hydrate take place during cement hydration. Both processes are crucial for the development of cement strength, and for the long-term evolution of concrete structures. However, the physicochemical environment evolves during cement formation, making it difficult to disentangle what factors are crucial for the mechanical properties. Here we use Monte Carlo and Molecular Dynamics simulations to study a coarse-grained model of cement formation, and investigate the equilibrium and arrested states. We can correlate the various structures with the time evolution of the interactions between the nano-hydrates during the preparation of cement. The novel emerging picture is that the changes of the physicochemical environment, which dictate the evolution of the effective interactions, specifically favour the early gel formation and its continuous densification. Our observations help us understand how cement attains its unique strength and may help in the rational design of the properties of cement and related materials. PMID:27417911

Grain Nucleation and Growth in Deformed NiTi Shape Memory Alloys: An In Situ TEM Study

NASA Astrophysics Data System (ADS)

Burow, J.; Frenzel, J.; Somsen, C.; Prokofiev, E.; Valiev, R.; Eggeler, G.

2017-12-01

The present study investigates the evolution of nanocrystalline (NC) and ultrafine-grained (UFG) microstructures in plastically deformed NiTi. Two deformed NiTi alloys were subjected to in situ annealing in a transmission electron microscope (TEM) at 400 and 550 °C: an amorphous material state produced by high-pressure torsion (HPT) and a mostly martensitic partly amorphous alloy produced by wire drawing. In situ annealing experiments were performed to characterize the microstructural evolution from the initial nonequilibrium states toward energetically more favorable microstructures. In general, the formation and evolution of nanocrystalline microstructures are governed by the nucleation of new grains and their subsequent growth. Austenite nuclei which form in HPT and wire-drawn microstructures have sizes close to 10 nm. Grain coarsening occurs in a sporadic, nonuniform manner and depends on the physical and chemical features of the local environment. The mobility of grain boundaries in NiTi is governed by the local interaction of each grain with its microstructural environment. Nanograin growth in thin TEM foils seems to follow similar kinetic laws to those in bulk microstructures. The present study demonstrates the strength of in situ TEM analysis and also highlights aspects which need to be considered when interpreting the results.

Assessing grain-size correspondence between flow and deposits of controlled floods in the Colorado River, USA

USGS Publications Warehouse

Draut, Amy; Rubin, David M.

2013-01-01

Flood-deposited sediment has been used to decipher environmental parameters such as variability in watershed sediment supply, paleoflood hydrology, and channel morphology. It is not well known, however, how accurately the deposits reflect sedimentary processes within the flow, and hence what sampling intensity is needed to decipher records of recent or long-past conditions. We examine these problems using deposits from dam-regulated floods in the Colorado River corridor through Marble Canyon–Grand Canyon, Arizona, U.S.A., in which steady-peaked floods represent a simple end-member case. For these simple floods, most deposits show inverse grading that reflects coarsening suspended sediment (a result of fine-sediment-supply limitation), but there is enough eddy-scale variability that some profiles show normal grading that did not reflect grain-size evolution in the flow as a whole. To infer systemwide grain-size evolution in modern or ancient depositional systems requires sampling enough deposit profiles that the standard error of the mean of grain-size-change measurements becomes small relative to the magnitude of observed changes. For simple, steady-peaked floods, 5–10 profiles or fewer may suffice to characterize grain-size trends robustly, but many more samples may be needed from deposits with greater variability in their grain-size evolution.

Microstructural design in low alloy steels

NASA Technical Reports Server (NTRS)

Honeycombe, R. W. K.

1982-01-01

The evolution of microalloyed steels from plain carbon steels is examined with emphasis on grain size control by use of Nb, Ti and V additions and by the application of controlled rolling. The structural changes during controlled rolling are described as well as the influence of alloying elements on these changes, and on the final microstructure. The achievement of high strength and toughness is discussed including the role of inclusions.

Simulation of fatigue damage in ferroelectric polycrystals under mechanical/electrical loading

NASA Astrophysics Data System (ADS)

Kozinov, S.; Kuna, M.

2018-07-01

The reliability of smart-structures made of ferroelectric ceramics is essentially reduced by the formation of cracks under the action of external electrical and/or mechanical loading. In the current research a numerical model for low-cycle fatigue in ferroelectric mesostructures is proposed. In the finite element simulations a combination of two user element routines is utilized. The first one is used to model a micromechanical ferroelectric domain switching behavior inside the grains. The second one is used to simulate fatigue damage of grain boundaries by a cohesive zone model (EMCCZM) based on an electromechanical cyclic traction-separation law (TSL). For numerical simulations a scanning electron microscope image of the ceramic's grain structure was digitalized and meshed. The response of this mesostructure to cyclic electrical or mechanical loading is systematically analyzed. As a result of the simulations, the distribution of electric potential, field, displacement and polarization as well as mechanical stresses and deformations inside the grains are obtained. At the grain boundaries, the formation and evolution of damage are analyzed until final failure and induced degradation of electric permittivity. It is found that the proposed model correctly mimics polycrystalline behavior during poling processes and progressive damage under cyclic electromechanical loading. To the authors' knowledge, it is the first model and numerical analysis of ferroelectric polycrystals taking into account both domain reorientation and cohesive modeling of intergranular fracture. It can help to understand failure mechanisms taking place in ferroelectrics during fatigue processes.

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

Developing SNMS for Full-Spectrum High-Sensitivity In-Situ Isotopic Analysis of Individual Comet Grains Collected by Stardust?

NASA Technical Reports Server (NTRS)

Chen, Chun-Yen; Shen, Jason Jiun-San; Lee, Typhoon; Calaway, Wallis; Veryovkin, Igor; Moore, Jerry; Pellin, Michael

2005-01-01

In anticipation of the return of comet (and ISM?) dust grains by the Stardust mission [1] in mid-January next year, Academia Sinica (AS) and Argonne National Laboratory (ANL) have entered into a collaboration to develop instrument and method for the isotopic analysis of these samples. We need to achieve the highest possible sensitivity so that we can analyze individual grains one at a time to the smallest possible size. Only by doing so can we hope to reach one of the main science goals of the mission, namely the recognition of those isotopically distinct grains each carrying the characteristic signature of a particular nucleosynthetic stage of its parent star. In order to facilitate the interpretation of these grains the second requirement of our method is that the measurements must be made over the widest possible mass range before samples exhaustion. For instance, the thermonuclear fusion reactions that produced the isotopes of various major elements of a wide mass range required drastically different temperatures. Therefore their abundances could constrain the conditions at greatly varying depth inside the source star hence its structure and evolution.

THE JCMT GOULD BELT SURVEY: EVIDENCE FOR DUST GRAIN EVOLUTION IN PERSEUS STAR-FORMING CLUMPS

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

Chen, Michael Chun-Yuan; Francesco, J. Di; Johnstone, D.

2016-07-20

The dust emissivity spectral index, β , is a critical parameter for deriving the mass and temperature of star-forming structures and, consequently, their gravitational stability. The β value is dependent on various dust grain properties, such as size, porosity, and surface composition, and is expected to vary as dust grains evolve. Here we present β , dust temperature, and optical depth maps of the star-forming clumps in the Perseus Molecular Cloud determined from fitting spectral energy distributions to combined Herschel and JCMT observations in the 160, 250, 350, 500, and 850 μ m bands. Most of the derived β andmore » dust temperature values fall within the ranges of 1.0–2.7 and 8–20 K, respectively. In Perseus, we find the β distribution differs significantly from clump to clump, indicative of grain growth. Furthermore, we also see significant localized β variations within individual clumps and find low- β regions correlate with local temperature peaks, hinting at the possible origins of low- β grains. Throughout Perseus, we also see indications of heating from B stars and embedded protostars, as well evidence of outflows shaping the local landscape.« less

Post Deformation at Room and Cryogenic Temperature Cooling Media on Severely Deformed 1050-Aluminum

NASA Astrophysics Data System (ADS)

Khorrami, M. Sarkari; Kazeminezhad, M.

2018-03-01

The annealed 1050-aluminum sheets were initially subjected to the severe plastic deformation through two passes of constrained groove pressing (CGP) process. The obtained specimens were post-deformed by friction stir processing at room and cryogenic temperature cooling media. The microstructure evolutions during mentioned processes in terms of grain structure, misorientation distribution, and grain orientation spread (GOS) were characterized using electron backscattered diffraction. The annealed sample contained a large number of "recrystallized" grains and relatively large fraction (78%) of high-angle grain boundaries (HAGBs). When CGP process was applied on the annealed specimen, the elongated grains with interior substructure were developed, which was responsible for the formation of 80% low-angle grain boundaries. The GOS map of the severely deformed specimen manifested the formation of 43% "distorted" and 51% "substructured" grains. The post deformation of severely deformed aluminum at room temperature led to the increase in the fraction of HAGBs from 20 to 60%. Also, it gave rise to the formation of "recrystallized" grains with the average size of 13 μm, which were coarser than the grains predicted by Zener-Hollomon parameter. This was attributed to the occurrence of appreciable grain growth during post deformation. In the case of post deformation at cryogenic temperature cooling medium, the grain size was decreased, which was in well agreement with the predicted grain size. The cumulative distribution of misorientation was the same for both processing routes. Mechanical properties characterizations in terms of nano-indentation and tensile tests revealed that the post deformation process led to the reduction in hardness, yield stress, and ultimate tensile strength of the severely deformed aluminum.

A suture delta: the co-evolution of tectonics and sedimentology as a remnant ocean basin closes; the Indo Burman ranges, northeast India and Bangladesh

NASA Astrophysics Data System (ADS)

Sincavage, R.; Betka, P. M.; Seeber, L.; Steckler, M. S.; Zoramthara, C.

2017-12-01

The closure of an ocean basin involves the interplay of tectonics and sedimentology, whereby thick successions of fluvio-deltaic and shallow marine sediment accumulate in the closing gap between the subduction zone and passive margin. The transition from subduction to collision involves processes that are inherently time-transgressive and co-evolve to influence the nature of the developing tectonic wedge. The Indo-Burman Ranges (IBR) of eastern India present a unique opportunity to examine this scenario on a variety of spatial (10-2­­­-105 m2) and temporal (1 a-10 Ma) scales. Recent field mapping campaigns in the IBR have illuminated analogous depositional environments expressed in the Neogene outcrops of the IBR and the Holocene sediment archive of the Ganges-Brahmaputra-Meghna delta (GBMD). Six distinct lithofacies are present in shallow-marine to fluvial strata of the IBR, containing sedimentary structures that reflect depositional environments correlative with the modern delta. Cyclical alternations of fine sands and silts in packages on the order of 15-20 cm thick define part of the shallow-marine section (M2 facies) that we interpret to represent the foreset beds of the ancient subaqueous delta. The overall scale and sedimentary structures of M2 compare favorably with modern foreset deposits in the Bay of Bengal. Tan-orange medium-grained, well sorted fluvial sandstone that contain large scale (1-10 m) tabular and trough cross bedding represent large-river channel deposits (F2 facies) that overlie the shallow marine strata. F2 deposits bear a striking resemblance in scale and character to bar deposits along the modern Jamuna River. Preliminary grain size analyses on the F2 facies yield grain size distributions that are remarkably consistent with Brahmaputra-sourced mid-Holocene sediments from Sylhet basin within the GBMD. Current research on the GBMD has revealed quantifiable trends in bed thicknesses, downstream fining, and grain size within fluvial deposits. These data will be coupled with ongoing structural and geo- and thermochronology field studies of the IBR that aim to continue to reveal the structural and stratigraphic evolution of this geologically active and densely populated region.

Evolution of Photometric and Polarimetric Phase Curves of Fine-Grained Water Ice Particles due to Grain Sintering

NASA Astrophysics Data System (ADS)

Jost, B.; Cerubini, R.; Poch, O.; Pommerol, A.; Thomas, N.

2018-06-01

Laboratory photometric and polarimetric phase curves of micrometer-sized water ice particles to elucidate the effect of grain sintering on scattering properties relevant for the analysis of potential plume deposition sites on icy satellites.

Deformation mechanisms and grain size evolution in the Bohemian granulites - a computational study

NASA Astrophysics Data System (ADS)

Maierova, Petra; Lexa, Ondrej; Jeřábek, Petr; Franěk, Jan; Schulmann, Karel

2015-04-01

A dominant deformation mechanism in crustal rocks (e.g., dislocation and diffusion creep, grain boundary sliding, solution-precipitation) depends on many parameters such as temperature, major minerals, differential stress, strain rate and grain size. An exemplary sequence of deformation mechanisms was identified in the largest felsic granulite massifs in the southern Moldanubian domain (Bohemian Massif, central European Variscides). These massifs were interpreted to result from collision-related forced diapiric ascent of lower crust and its subsequent lateral spreading at mid-crustal levels. Three types of microstructures were distinguished. The oldest relict microstructure (S1) with large grains (>1000 μm) of feldspar deformed probably by dislocation creep at peak HT eclogite facies conditions. Subsequently at HP granulite-facies conditions, chemically- and deformation- induced recrystallization of feldspar porphyroclasts led to development of a fine-grained microstructure (S2, ~50 μm grain size) indicating deformation via diffusion creep, probably assisted by melt-enhanced grain-boundary sliding. This microstructure was associated with flow in the lower crust and/or its diapiric ascent. The latest microstructure (S3, ~100 μm grain size) is related to the final lateral spreading of retrograde granulites, and shows deformation by dislocation creep at amphibolite-facies conditions. The S2-S3 switch and coarsening was interpreted to be related with a significant decrease in strain rate. From this microstructural sequence it appears that it is the grain size that is critically linked with specific mechanical behavior of these rocks. Thus in this study, we focused on the interplay between grain size and deformation with the aim to numerically simulate and reinterpret the observed microstructural sequence. We tested several different mathematical descriptions of the grain size evolution, each of which gave qualitatively different results. We selected the two most elaborated and at the same time the most promising descriptions: thermodynamics-based models with and without Zener pinning. For conditions compatible with the S1 and S2 microstructures (~800 °C and strain rate ~10-13 s-1), the calculated stable grain sizes are ~30 μm and >300 μm in the models with and without Zener pinning, respectively. This is in agreement with the contrasting grain sizes associated with S1 and S2 microstructures implying that mainly chemically induced recrystallization of S1 feldspar porphyroclasts must had played a fundamental role in the transition into the diffusion creep. The model with pinning also explains only minor changes of mean grain size associated with S2 microstructure. The S2-S3 switch from the diffusion to dislocation creep is difficult to explain when assuming reasonable temperature and strain rate (or stress). However, a simple incorporation of the effect of melt solidification into the model with pinning can mimic this observed switch. Besides the above mentioned simple models with prescribed temperature and strain rate, we implemented the grain size evolution laws into in a 2D thermo-mechanical model setup, where stress, strain rate and temperature evolve in a more natural manner. This setup simulates a collisional evolution of an orogenic root with anomalous lower crust. The lower-crustal material is a source region for diapirs and it deforms via a combination of dislocation and grain-size-sensitive creeps. We tested the influence of selected parameters in the flow laws and in the grain-size evolution laws on the shape and other characteristics of the growing diapirs. The outputs of our simulations were then compared with the geological record from the Moldanubian granulite massifs.

Neoproterozoic Evolution and Najd‒Related Transpressive Shear Deformations Along Nugrus Shear Zone, South Eastern Desert, Egypt (Implications from Field‒Structural Data and AMS‒Technique)

NASA Astrophysics Data System (ADS)

Hagag, W.; Moustafa, R.; Hamimi, Z.

2018-01-01

The tectonometamorphic evolution of Nugrus Shear Zone (NSZ) in the south Eastern Desert of Egypt was reevaluated through an integrated study including field-structural work and magnetofabric analysis using Anisotropy of Magnetic Susceptibility (AMS) technique, complemented by detailed microstructural investigation. Several lines of evidence indicate that the Neoproterozoic juvenile crust within this high strain zone suffered an impressive tectonic event of left-lateral transpressional regime, transposed the majority of the earlier formed structures into a NNW to NW-directed wrench corridor depicts the northwestern extension of the Najd Shear System (NSS) along the Eastern Desert of Egypt. The core of the southern Hafafit dome underwent a high metamorphic event ( M 1) developed during the end of the main collisional orogeny in the Arabian-Nubian Shield (ANS). The subsequent M 2 metamorphic event was retrogressive and depicts the tectonic evolution and exhumation of the Nugrus-Hafafit area including the Hafafit gneissic domes, during the origination of the left-lateral transpressive wrench corridor of the NSS. The early tectonic fabric within the NSZ and associated highly deformed rocks was successfully detected by the integration of AMS-technique and microstructural observations. Such fabric grain was checked through a field-structural work. The outcomes of the present contribution advocate a complex tectonic evolution with successive and overlapped deformation events for the NSZ.

Dust, Abundances, and the Evolution of Novae

NASA Astrophysics Data System (ADS)

Woodward, Charles; Bode, Michael; Evans, Anuerin; Geballe, Thomas; Gehrz, Robert; Helton, Andrew; Krautter, Joachim; Lynch, David; Ness, Jan-Uwe; Rudy, Richard; Schwarz, Greg; Shore, Steve; Starrfield, Sumner; Truran, James; Vanlandingham, Karen; Wagner, R. Mark

2008-03-01

Evolved stars are the engines of energy production and chemical evolution in our Universe. They deposit radiative and mechanical energy into their environments. They enrich the ambient ISM with elements synthesized in their interiors and dust grains condensed in their atmospheres. Classical novae (CNe) contribute to this cycle of chemical enrichment through explosive nucleosynthesis and the violent ejection of material dredged from the white dwarf progenitor and mixed with the accreted surface layers. Our capstone study of 10 CNe will provide an ensemble of objects, well-populated in CNe parameter space (fast, slow, 'coronal', dusty) for detailed photoionization modeling and analysis. CNe are laboratories in which several poorly-understood astrophysical processes (e.g., mass transfer, thermonuclear runaway, optically thick winds, common envelope evolution, molecule and grain formation, coronal emission) may be observed. With Spitzer's unique wavelength coverage and point-source sensitivity we can: (i) investigate the in situ formation, astromineralogy, and processing of nova dust, (ii) determine the ejecta elemental abundances resulting from thermonuclear runaway, (iii) constrain the correlation of ejecta mass with progenitor type, (iv) measure the bolometric luminosity of the outburst, and (v) characterize the kinematics and structure of the ejected envelopes. Extensive ground-based and space-based (Chandra, Swift, XMM-Newton) programs led by team CoIs will complement Spitzer CNe observations.

Investigation of consolidation kinetics and microstructure evolution of Al alloys in direct metal laser sintering using phase field simulation

NASA Astrophysics Data System (ADS)

Bimal Satpathy, Bubloom; Nandy, Jyotirmoy; Sahoo, Seshadev

2018-03-01

Direct metal laser sintering is one of the very efficient processes which comes under the field of additive manufacturing and is capable of producing products of good mechanical and physical properties. The process parameters affect the physical and mechanical properties of the final products. Rapid solidification plays an important role in the consolidation kinetics as the powdered material sinters and forms a polycrystalline structure. In the recent times, the enormous use of computational modeling has helped in examining the utility of final products in a wide range of applications. In this study, a phase field model has been implemented to foresee the consolidation kinetics during the liquid state sintering. Temperature profiles have been used to study the densification behavior and neck growth which is caused by the surface diffusion of particles at initial stage. Later, importance of grain boundary and the volume diffusion during densification process is analyzed. It is also found that with rise in temperature, neck growth also increases rapidly due to the interaction of adjacent grains through grain boundary diffusion and stabilization of grain growth.

Stress-dependent grain size evolution of nanocrystalline Ni-W and its impact on friction behavior

DOE PAGES

Argibay, N.; Furnish, T. A.; Boyce, B. L.; ...

2016-06-07

The friction behavior of ultra-nanocrystalline Ni-W coatings was investigated. A critical stress threshold was identified below which friction remained low, and above which a time-dependent evolution toward higher friction behavior occurred. Founded on established plasticity models we propose a correlation between surface grain size and applied stress that can be used to predict the critical stress separating the two friction regimes. Lastly, this interpretation of plasticity models suggests that macro-scale low and high friction regimes are respectively associated with the nano-scale mechanisms of grain boundary and dislocation-mediated plasticity.

Evidence for dust grain growth in young circumstellar disks.

PubMed

Throop, H B; Bally, J; Esposito, L W; McCaughrean, M J

2001-06-01

Hundreds of circumstellar disks in the Orion nebula are being rapidly destroyed by the intense ultraviolet radiation produced by nearby bright stars. These young, million-year-old disks may not survive long enough to form planetary systems. Nevertheless, the first stage of planet formation-the growth of dust grains into larger particles-may have begun in these systems. Observational evidence for these large particles in Orion's disks is presented. A model of grain evolution in externally irradiated protoplanetary disks is developed and predicts rapid particle size evolution and sharp outer disk boundaries. We discuss implications for the formation rates of planetary systems.

Microstructure, microtexture and precipitation in the ultrafine-grained surface layer of an Al-Zn-Mg-Cu alloy processed by sliding friction treatment

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

Chen, Yanxia

2017-01-15

Precipitate redistribution and texture evolution are usually two concurrent aspects accompanying grain refinement induced by various surface treatment. However, the detailed precipitate redistribution characteristics and process, as well as crystallographic texture in the surface refined grain layer, are still far from full understanding. In this study, we focused on the microstructural and crystallographic features of the sliding friction treatment (SFT) induced surface deformation layer in a 7050 aluminum alloy. With the combination of transmission electron microscopy (TEM) and high angle angular dark field scanning TEM (HAADF-STEM) observations, a surface ultrafine grain (UFG) layer composed of both equiaxed and lamellar ultrafinemore » grains and decorated by high density of coarse grain boundary precipitates (GBPs) were revealed. Further precession electron diffraction (PED) assisted orientation mapping unraveled that high angle grain boundaries rather than low angle grain boundaries are the most favorable nucleation sites for GBPs. The prominent precipitate redistribution can be divided into three successive and interrelated stages, i.e. the mechanically induced precipitate dissolution, solute diffusion and reprecipitation. The quantitative prediction based on pipe diffusion along dislocations and grain boundary diffusion proved the distribution feasibility of GBPs around UFGs. Based on PED and electron backscatter diffraction (EBSD) analyses, the crystallographic texture of the surface UFG layer was identified as a shear texture composed of major rotated cube texture (001) 〈110〉 and minor (111) 〈112〉, while that of the adjoining lamellar coarse grained matrix was pure brass. The SFT induced surface severe shear deformation is responsible for texture evolution. - Highlights: •The surface ultrafine grain layer in a 7050 aluminum alloy was focused. •Precipitate redistribution and texture evolution were discussed. •The quantitative prediction proved the distribution feasibility of GBPs. •Precession electron diffraction orientation mapping showed a shear texture.« less

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

Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy Alan

Materials with characteristic structures at nanoscale sizes exhibit significantly different mechani-cal responses from those predicted by conventional, macroscopic continuum theory. For example,nanocrystalline metals display an inverse Hall-Petch effect whereby the strength of the materialdecreases with decreasing grain size. The origin of this effect is believed to be a change in defor-mation mechanisms from dislocation motion across grains and pileup at grain boundaries at mi-croscopic grain sizes to rotation of grains and deformation within grain boundary interface regionsfor nanostructured materials. These rotational defects are represented by the mathematical conceptof disclinations. The ability to capture these effects within continuum theory, thereby connectingnanoscalemore » materials phenomena and macroscale behavior, has eluded the research community.The goal of our project was to develop a consistent theory to model both the evolution ofdisclinations and their kinetics. Additionally, we sought to develop approaches to extract contin-uum mechanical information from nanoscale structure to verify any developed continuum theorythat includes dislocation and disclination behavior. These approaches yield engineering-scale ex-pressions to quantify elastic and inelastic deformation in all varieties of materials, even those thatpossess highly directional bonding within their molecular structures such as liquid crystals, cova-lent ceramics, polymers and biological materials. This level of accuracy is critical for engineeringdesign and thermo-mechanical analysis is performed in micro- and nanosystems. The researchproposed here innovates on how these nanoscale deformation mechanisms should be incorporatedinto a continuum mechanical formulation, and provides the foundation upon which to develop ameans for predicting the performance of advanced engineering materials.4 AcknowledgmentThe authors acknowledge helpful discussions with Farid F. Abraham, Youping Chen, Terry J.Delph, Remi Dingreville, James W. Foulk III, Robert J. Hardy, Richard Lehoucq, Alejandro Mota,Gregory J. Wagner, Edmund B. Webb III and Xiaowang Zhou. Support for this project was pro-vided by the Enabling Predictive Simulation Investment Area of Sandia's Laboratory DirectedResearch and Development (LDRD) program.5« less

Astrophysics with Presolar Stardust

NASA Astrophysics Data System (ADS)

Clayton, Donald D.; Nittler, Larry R.

2004-09-01

Meteorites and interplanetary dust particles contain presolar stardust grains: solid samples of stars that can be studied in the laboratory. The stellar origin of the grains is indicated by enormous isotopic ratio variations compared with Solar System materials, explainable only by nuclear reactions occurring in stars. Known presolar phases include diamond, SiC, graphite, Si3N4, Al2O3, MgAl2O4, CaAl12O19, TiO2, Mg(Cr,Al)2O4, and most recently, silicates. Subgrains of refractory carbides (e.g., TiC), and Fe-Ni metal have also been observed within individual presolar graphite grains. We review the astrophysical implications of these grains for the sciences of nucleosynthesis, stellar evolution, grain condensation, and the chemical and dynamic evolution of the Galaxy. Unique scientific information derives primarily from the high precision (in some cases <1%) of the measured isotopic ratios of large numbers of elements in single stardust grains. Stardust science is just now reaching maturity and will play an increasingly important role in nucleosynthesis applications.

What does the fine-scale petrography of IDPs reveal about grain formation and evolution in the early solar system?

NASA Technical Reports Server (NTRS)

Bradley, John

1994-01-01

The 'pyroxene' interplanetary dust particles (IDP's) may be the best samples for investigation of primordial grain-forming reactions because they appear to have experienced negligible post-accretional alteration. They are likely to continue to yield information about gas-to-solid condensation and other grain-forming reactions that may have occurred either in the solar nebular or presolar interstellar environments. An immediate challenge lies in understanding the nanometer-scale petrography of the ultrafine-grained aggregates in 'pyroxene' IDP's. Whether these aggregates contain components from diverse grain-forming environments may ultimately be answered by systematic petrographic studies using electron microscopes capable of high spatial resolution microanalysis. It may be more difficult to decipher evidence of grain formation and evolution in 'olivine' and 'layer silicate' IDP's because they appear to have experienced post-accretional alteration. Most of the studied 'olivine' IDPs have been subjected to heating and equilibration, perhaps during atmospheric entry, while the 'layer silicate' IDP's have experienced aqueous alteration.

A Cellular Automaton / Finite Element model for predicting grain texture development in galvanized coatings

NASA Astrophysics Data System (ADS)

Guillemot, G.; Avettand-Fènoël, M.-N.; Iosta, A.; Foct, J.

2011-01-01

Hot-dipping galvanizing process is a widely used and efficient way to protect steel from corrosion. We propose to master the microstructure of zinc grains by investigating the relevant process parameters. In order to improve the texture of this coating, we model grain nucleation and growth processes and simulate the zinc solid phase development. A coupling scheme model has been applied with this aim. This model improves a previous two-dimensional model of the solidification process. It couples a cellular automaton (CA) approach and a finite element (FE) method. CA grid and FE mesh are superimposed on the same domain. The grain development is simulated at the micro-scale based on the CA grid. A nucleation law is defined using a Gaussian probability and a random set of nucleating cells. A crystallographic orientation is defined for each one with a choice of Euler's angle (Ψ,θ,φ). A small growing shape is then associated to each cell in the mushy domain and a dendrite tip kinetics is defined using the model of Kurz [2]. The six directions of basal plane and the two perpendicular directions develop in each mushy cell. During each time step, cell temperature and solid fraction are then determined at micro-scale using the enthalpy conservation relation and variations are reassigned at macro-scale. This coupling scheme model enables to simulate the three-dimensional growing kinetics of the zinc grain in a two-dimensional approach. Grain structure evolutions for various cooling times have been simulated. Final grain structure has been compared to EBSD measurements. We show that the preferentially growth of dendrite arms in the basal plane of zinc grains is correctly predicted. The described coupling scheme model could be applied for simulated other product or manufacturing processes. It constitutes an approach gathering both micro and macro scale models.

An atomistic study of the effect of micro-structure on the HEL evolution in a nanocrystalline aluminum

NASA Astrophysics Data System (ADS)

Valisetty, R.; Rajendran, A.; Dongare, A.; Namburu, R.

2017-06-01

This study focuses on the shock precursor decay phenomena in pure aluminum crystals and nanocrystalline aluminum (nc-Al) systems under one dimensional strain condition using large scale molecular dynamics (MD) simulations. For this purpose, two different atom systems are modeled for the nc-Al: 1) 900 Å thick ( 20 million atoms) with grain sizes (Å): 60, 100, 140 and 180, and 2) 5000 Å thick ( 2 billion atoms) with grain sizes (Å): 180, 500, and 1000. The MD simulations considered a plate-on-plate configuration at five impact velocities between 0.7 km/s to 1.5 km/s. The very large MD results ( 100s of terabytes) are modeled using a material conserving atom slicing method, based on averaged stress distributions along the shock fronts. The effects of grain sizes on dislocation evolutions at the HEL are analyzed in terms of precursor decay profiles at various distances along the shock front. The results indicate that the effect of impact velocity on the HEL amplitudes becomes insignificant after the wave propagates certain characteristic distances. However, the grain size significantly influences the material shock strength. By combining HELs determined from MD results with plate impact experimental data reported in literature for pure aluminum, the precursor decay for nc-Al systems was constructed across nano to macro length scales. The construct is based on the assumption that the plasticity is a result of accumulations of defects or dislocations from a very small scale to a large scale of the material.

Morphology and microstructure evolution of Ti-50 at.% Al cathodes during cathodic arc deposition of Ti-Al-N coatings

NASA Astrophysics Data System (ADS)

Syed, Bilal; Zhu, Jianqiang; Polcik, Peter; Kolozsvari, Szilard; Hâkansson, Greger; Johnson, Lars; Ahlgren, Mats; Jöesaar, Mats; Odén, Magnus

2017-06-01

Today's research on the cathodic arc deposition technique and coatings therefrom primarily focuses on the effects of, e.g., nitrogen partial pressure, growth temperature, and substrate bias. Detailed studies on the morphology and structure of the starting material—the cathode—during film growth and its influence on coating properties at different process conditions are rare. This work aims to study the evolution of the converted layer, its morphology, and microstructure, as a function of the cathode material grain size during deposition of Ti-Al-N coatings. The coatings were reactively grown in pure N2 discharges from powder metallurgically manufactured Ti-50 at.% Al cathodes with grain size distribution averages close to 1800, 100, 50, and 10 μm, respectively, and characterized with respect to microstructure, composition, and mechanical properties. The results indicate that for the cathode of 1800 μm grain size the disparity in the work function among parent phases plays a dominant role in the pronounced erosion of Al, which yields the coatings rich in macro-particles and of high Al content. We further observed that a reduction in the grain size of Ti-50 at.% Al cathodes to 10 μm provides favorable conditions for self-sustaining reactions between Ti and Al phases upon arcing to form γ phase. The combination of self-sustaining reaction and the arc process not only result in the formation of hole-like and sub-hole features on the converted layer but also generate coatings of high Al content and laden with macro-particles.

Dielectric Relaxation Study of Multiferroic BiFe0.95(Ni0.5Ti0.5)0.05O3

NASA Astrophysics Data System (ADS)

Abdelkafi, Z.; Khasskhoussi, G.; Abdelmoula, N.

2018-03-01

The doping of BiFeO3 (BFO) with 5% of Ni and Ti to form the composition BiFe0.95(Ni0.5Ti0.5)0.05O3 (BFNT05) was prepared via a solid state reaction technique. X-ray diffraction (XRD) shows that the prepared ceramic has a pure-phase perovskite structure with rhombohedral symmetry. Thermal evolution of the permittivity reveals a large value of permittivity accompanied by a strong dispersion. This evolution indicates a dielectric anomaly at around 520 K near the Néel temperature ( T N), which supports a strong magneto-dielectric coupling. The dielectric dispersion in BFNT05 was studied by the measurement of the permittivity over a wide frequency range from 20 Hz to 1 MHz at different temperatures 300-700 K. The experimental dielectric data was described by the Cole-Cole relaxation equation modified by introducing the conductivity. Modified impedance and modulus expressions were used successfully as tools to separate the contribution from grains and grain boundaries of BFNT05. The calculated bulk grain conductivity indicated an anomalous behavior near the temperature related to the antiferro-paramagnetic phase transition of the corresponding BFNT05 ceramic. In contrast, this ceramic exhibited a predominant grain boundaries behavior at the studied temperature and frequency range. In this case, they were the elements responsible for dielectric dispersion, and also they played an important role in the improvement of the dielectric behavior of this ceramic. The ac conductivity study confirmed the modified impedance and modulus expressions.

Dielectric Relaxation Study of Multiferroic BiFe0.95(Ni0.5Ti0.5)0.05O3

NASA Astrophysics Data System (ADS)

Abdelkafi, Z.; Khasskhoussi, G.; Abdelmoula, N.

2017-12-01

The doping of BiFeO3 (BFO) with 5% of Ni and Ti to form the composition BiFe0.95(Ni0.5Ti0.5)0.05O3 (BFNT05) was prepared via a solid state reaction technique. X-ray diffraction (XRD) shows that the prepared ceramic has a pure-phase perovskite structure with rhombohedral symmetry. Thermal evolution of the permittivity reveals a large value of permittivity accompanied by a strong dispersion. This evolution indicates a dielectric anomaly at around 520 K near the Néel temperature (T N), which supports a strong magneto-dielectric coupling. The dielectric dispersion in BFNT05 was studied by the measurement of the permittivity over a wide frequency range from 20 Hz to 1 MHz at different temperatures 300-700 K. The experimental dielectric data was described by the Cole-Cole relaxation equation modified by introducing the conductivity. Modified impedance and modulus expressions were used successfully as tools to separate the contribution from grains and grain boundaries of BFNT05. The calculated bulk grain conductivity indicated an anomalous behavior near the temperature related to the antiferro-paramagnetic phase transition of the corresponding BFNT05 ceramic. In contrast, this ceramic exhibited a predominant grain boundaries behavior at the studied temperature and frequency range. In this case, they were the elements responsible for dielectric dispersion, and also they played an important role in the improvement of the dielectric behavior of this ceramic. The ac conductivity study confirmed the modified impedance and modulus expressions.

The polarized Debye sheath effect on Kadomtsev-Petviashvili electrostatic structures in strongly coupled dusty plasma

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

Shahmansouri, M.; Alinejad, H.

2015-04-15

We give a theoretical investigation on the dynamics of nonlinear electrostatic waves in a strongly coupled dusty plasma with strong electrostatic interaction between dust grains in the presence of the polarization force (i.e., the force due to the polarized Debye sheath). Adopting a reductive perturbation method, we derived a three-dimensional Kadomtsev-Petviashvili equation that describes the evolution of weakly nonlinear electrostatic localized waves. The energy integral equation is used to study the existence domains of the localized structures. The analysis provides the localized structure existence region, in terms of the effects of strong interaction between the dust particles and polarization force.

Evolution of microstructure and surface topography of gold thin films under thermal annealing

NASA Astrophysics Data System (ADS)

Dash, P.; Rath, H.; Dash, B. N.; Mallick, P.; Basu, T.; Som, T.; Singh, U. P.; Mishra, N. C.

2012-07-01

In the present study, we probe into evolution of microstructure and surface morphology of gold thin films of 10 to 50 nm thickness deposited on Si (100) substrate by thermal evaporation method. These films were annealed at 250°C under vacuum. The as-deposited and annealed films were characterized by glancing angle X-Ray diffraction (GAXRD) and atomic force microscopy (AFM), techniques. XRD indicated improvement of crystallinity up to 2 hours of annealing and degradation of the same thereafter. In agreement with XRD result, the grain size distribution histogram obtained from AFM indicated grain growth with annealing time up to 2 hours and saturation or decrease of grain size thereafter. The observed result is explained by the occurrence of two competing phenomena like roughening induced grain growth and smoothening induced inhibition of grain growth with increasing annealing time.

A Rate-Theory-Phase-Field Model of Irradiation-Induced Recrystallization in UMo Nuclear Fuels

NASA Astrophysics Data System (ADS)

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

2017-12-01

In this work, we developed a recrystallization model to study the effect of microstructures and radiation conditions on recrystallization kinetics in UMo fuels. The model integrates the rate theory of intragranular gas bubble and interstitial loop evolutions and a phase-field model of recrystallization zone evolution. A first passage method is employed to describe one-dimensional diffusion of interstitials with a diffusivity value several orders of magnitude larger than that of fission gas xenons. With the model, the effect of grain sizes on recrystallization kinetics is simulated. The results show that (1) recrystallization in large grains starts earlier than that in small grains, (2) the recrystallization kinetics (recrystallization volume fraction) decrease as the grain size increases, (3) the predicted recrystallization kinetics are consistent with the experimental results, and (4) the recrystallization kinetics can be described by the modified Avrami equation, but the parameters of the Avrami equation strongly depend on the grain size.

Multi-channel Spiral Twist Extrusion (MCSTE): A Novel Severe Plastic Deformation Technique for Grain Refinement

NASA Astrophysics Data System (ADS)

El-Garaihy, W. H.; Fouad, D. M.; Salem, H. G.

2018-07-01

Multi-channel Spiral Twist Extrusion (MCSTE) is introduced as a novel severe plastic deformation (SPD) technique for producing superior mechanical properties associated with ultrafine grained structure in bulk metals and alloys. The MCSTE design is based on inserting a uniform square cross-sectioned billet within stacked disks that guarantee shear strain accumulation. In an attempt to validate the technique and evaluate its plastic deformation characteristics, a series of experiments were conducted. The influence of the number of MCSTE passes on the mechanical properties and microstructural evolution of AA1100 alloy were investigated. Four passes of MCSTE, at a relatively low twisting angle of 30 deg, resulted in increasing the strength and hardness coupled with retention of ductility. Metallographic observations indicated a significant grain size reduction of 72 pct after 4 passes of MCSTE compared with the as-received (AR) condition. Moreover, the structural uniformity increased with the number of passes, which was reflected in the hardness distribution from the peripheries to the center of the extrudates. The current study showed that the MCSTE technique could be an effective, adaptable SPD die design with a promising potential for industrial applications compared to its counterparts.

Biaxial deformation in high purity aluminum

DOE PAGES

Livescu, V.; Bingert, J. F.; Liu, C.; ...

2015-09-25

The convergence of multiple characterization tools has been applied to investigate the relationship of microstructure on damage evolution in high purity aluminum. The extremely coarse grain size of the disc-shaped sample provided a quasi-two dimensional structure from which the location of surface-measured features could be inferred. In particular, the role of pre-existing defects on damage growth was accessible due to the presence of casting porosity in the aluminum. Micro tomography, electron backscatter diffraction, and digital image correlation were applied to interrogate the sample in three dimensions. Recently micro-bulge testing apparatus was used to deform the pre-characterized disc of aluminum inmore » biaxial tension, and related analysis techniques were applied to map local strain fields. Subsequent post-mortem characterization of the failed sample was performed to correlate structure to damaged regions. We determined that strain localization and associated damage was most strongly correlated with grain boundary intersections and plastic anisotropy gradients between grains. Pre-existing voids played less of an apparent role than was perhaps initially expected. Finally, these combined techniques provide insight to the mechanism of damage initiation, propagation, and failure, along with a test bed for predictive damage models incorporating anisotropic microstructural effects.« less

Multi-channel Spiral Twist Extrusion (MCSTE): A Novel Severe Plastic Deformation Technique for Grain Refinement

NASA Astrophysics Data System (ADS)

El-Garaihy, W. H.; Fouad, D. M.; Salem, H. G.

2018-04-01

Multi-channel Spiral Twist Extrusion (MCSTE) is introduced as a novel severe plastic deformation (SPD) technique for producing superior mechanical properties associated with ultrafine grained structure in bulk metals and alloys. The MCSTE design is based on inserting a uniform square cross-sectioned billet within stacked disks that guarantee shear strain accumulation. In an attempt to validate the technique and evaluate its plastic deformation characteristics, a series of experiments were conducted. The influence of the number of MCSTE passes on the mechanical properties and microstructural evolution of AA1100 alloy were investigated. Four passes of MCSTE, at a relatively low twisting angle of 30 deg, resulted in increasing the strength and hardness coupled with retention of ductility. Metallographic observations indicated a significant grain size reduction of 72 pct after 4 passes of MCSTE compared with the as-received (AR) condition. Moreover, the structural uniformity increased with the number of passes, which was reflected in the hardness distribution from the peripheries to the center of the extrudates. The current study showed that the MCSTE technique could be an effective, adaptable SPD die design with a promising potential for industrial applications compared to its counterparts.

In situ synchrotron investigation of grain growth behavior of nano-grained UO 2

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

Miao, Yinbin; Yao, Tiankai; Lian, Jie

Here, we report on the study of grain growth kinetics in nano-grained UO 2 samples. Dense nano-grained UO 2 samples with well-controlled stoichiometry and grain size were fabricated using the spark plasma sintering technique. To determine the grain growth kinetics at elevated temperatures, a synchrotron wide-angle X-ray scattering (WAXS) study was performed in situ to measure the real-time grain size evolution based on the modified Williamson-Hall analysis. The unique grain growth kinetics of nanocrystalline UO 2 at 730 °C and 820 °C were observed and explained by the difference in mobility of various grain boundaries.

In situ synchrotron investigation of grain growth behavior of nano-grained UO 2

DOE PAGES

Miao, Yinbin; Yao, Tiankai; Lian, Jie; ...

2017-01-09

Here, we report on the study of grain growth kinetics in nano-grained UO 2 samples. Dense nano-grained UO 2 samples with well-controlled stoichiometry and grain size were fabricated using the spark plasma sintering technique. To determine the grain growth kinetics at elevated temperatures, a synchrotron wide-angle X-ray scattering (WAXS) study was performed in situ to measure the real-time grain size evolution based on the modified Williamson-Hall analysis. The unique grain growth kinetics of nanocrystalline UO 2 at 730 °C and 820 °C were observed and explained by the difference in mobility of various grain boundaries.

Dynamic Recrystallization Behavior and Corrosion Resistance of a Dual-Phase Mg-Li Alloy

PubMed Central

Liu, Gang; Xie, Wen; Wei, Guobing; Yang, Yan; Liu, Junwei; Xu, Tiancai; Xie, Weidong; Peng, Xiaodong

2018-01-01

The hot deformation and dynamic recrystallization behavior of the dual-phase Mg-9Li-3Al-2Sr-2Y alloy had been investigated using a compression test. The typical dual-phase structure was observed, and average of grain size of as-homogenized alloy is about 110 µm. It mainly contains β-Li, α-Mg, Al4Sr and Al2Y phases. The dynamic recrystallization (DRX) kinetic was established based on an Avrami type equation. The onset of the DRX process occurred before the peak of the stress–strain flow curves. It shows that the DRX volume fraction increases with increasing deformation temperature or decreasing strain rate. The microstructure evolution during the hot compression at various temperatures and strain rates had been investigated. The DRX grain size became larger with the increasing testing temperature or decreasing strain rate because the higher temperature or lower strain rate can improve the migration of DRX grain boundaries. The fully recrystallized microstructure can be achieved in a small strain due to the dispersed island-shape α-Mg phases, continuous the Al4Sr phases and spheroidal Al2Y particles, which can accelerate the nucleation. The continuous Al4Sr phases along the grain boundaries are very helpful for enhancing the corrosion resistance of the duplex structured Mg-Li alloy, which can prevent the pitting corrosion and filiform corrosion. PMID:29522473

Dynamic Recrystallization Behavior and Corrosion Resistance of a Dual-Phase Mg-Li Alloy.

PubMed

Liu, Gang; Xie, Wen; Wei, Guobing; Yang, Yan; Liu, Junwei; Xu, Tiancai; Xie, Weidong; Peng, Xiaodong

2018-03-09

The hot deformation and dynamic recrystallization behavior of the dual-phase Mg-9Li-3Al-2Sr-2Y alloy had been investigated using a compression test. The typical dual-phase structure was observed, and average of grain size of as-homogenized alloy is about 110 µm. It mainly contains β-Li, α-Mg, Al₄Sr and Al₂Y phases. The dynamic recrystallization (DRX) kinetic was established based on an Avrami type equation. The onset of the DRX process occurred before the peak of the stress-strain flow curves. It shows that the DRX volume fraction increases with increasing deformation temperature or decreasing strain rate. The microstructure evolution during the hot compression at various temperatures and strain rates had been investigated. The DRX grain size became larger with the increasing testing temperature or decreasing strain rate because the higher temperature or lower strain rate can improve the migration of DRX grain boundaries. The fully recrystallized microstructure can be achieved in a small strain due to the dispersed island-shape α-Mg phases, continuous the Al₄Sr phases and spheroidal Al₂Y particles, which can accelerate the nucleation. The continuous Al₄Sr phases along the grain boundaries are very helpful for enhancing the corrosion resistance of the duplex structured Mg-Li alloy, which can prevent the pitting corrosion and filiform corrosion.

Microstructure evolution and electrical characterization of Lanthanum doped Barium Titanate (BaTiO{sub 3}) ceramics

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

Billah, Masum, E-mail: masum.buet09@gmail.com; Ahmed, A., E-mail: jhinukbuetmme@gmail.com; Rahman, Md. Miftaur, E-mail: miftaurrahman@mme.buet.ac.bd

2016-07-12

In the current work, we investigated the structural and dielectric properties of Lanthanum oxide (La{sub 2}O{sub 3}) doped Barium Titanate (BaTiO{sub 3}) ceramics and established a correlation between them. Solid state sintering method was used to dope BaTiO{sub 3} with 0.3, 0.5 and 0.7 mole% La{sub 2}O{sub 3} under different sintering parameters. The raw materials used were La{sub 2}O{sub 3} nano powder of ~80 nm grain size and 99.995% purity and BaTiO{sub 3} nano powder of 100 nm grain size and 99.99% purity. Grain size distribution and morphology of fracture surface of sintered pellets were examined by Field Emission Scanningmore » Electron Microscope and X-Ray Diffraction analysis was conducted to confirm the formation of desired crystal structure. The research result reveal that grain size and electrical properties of BaTiO{sub 3} ceramic significantly enhanced for small amount of doping (up to 0.5 mole% La{sub 2}O{sub 3}) and then decreased with increasing doping concentration. Desired grain growth (0.80-1.3 µm) and high densification (<90% theoretical density) were found by proper combination of temperature, sintering parameters and doping concentration. We found the resultant stable value of dielectric constant was 10000-12000 at 100-300 Hz in the temperature range of 30°-50° C for 0.5 mole% La{sub 2}O{sub 3} with corresponding shift of curie temperature around 30° C. So overall this research showed that proper La{sup 3+} concentration can control the grain size, increase density, lower curie temperature and hence significantly improve the electrical properties of BaTiO{sub 3} ceramics.« less

The AU Microscopii Debris Disk: Multiwavelength Imaging and Modeling

NASA Astrophysics Data System (ADS)

Fitzgerald, Michael P.; Kalas, Paul G.; Duchêne, Gaspard; Pinte, Christophe; Graham, James R.

2007-11-01

Debris disks around main-sequence stars are produced by the destruction of unseen parent bodies. AU Microscopii (GJ 803) is a compelling object to study in the context of disk evolution across different spectral types, as it is an M dwarf whose nearly edge-on disk may be directly compared to that of its A5 V sibling β Pic. We resolve the disk from 8-60 AU in the near-IR JHK' bands at high resolution with the Keck II Telescope and adaptive optics, and develop a data reduction technique for the removal of the stellar point-spread function. We measure a blue color across the near-IR bands, and confirm the presence of substructure in the inner disk. Some of the structural features exhibit wavelength-dependent positions. Recent measurements of the scattered-light polarization indicate the presence of porous grains. The scattering properties of these porous grains have a strong effect on the inferred structure of the disk relative to the majority of previously modeled grain types. Complementing prior work, we use a Monte Carlo radiative transfer code to compare a relatively simple model of the distribution of porous grains to a broad data set, simultaneously fitting midplane surface brightness profiles and the spectral energy distribution. Our model confirms that the large-scale architecture of the disk is consistent with detailed models of steady state grain dynamics. A belt of parent bodies from 35-40 AU produces dust that is then swept outward by stellar wind and radiation. We infer the presence of very small grains in the region exterior to the belt, down to sizes of ~0.05 μm. These sizes are consistent with stellar mass-loss rates M˙*<<102 M˙solar

Role of 3D force networks in linking grain scale to macroscale processes in sheared granular debris

NASA Astrophysics Data System (ADS)

Mair, K.; Jettestuen, E.; Abe, S.

2013-12-01

Active faults, landslides and subglacial tills contain accumulations of granular debris that evolve during sliding. The macroscopic motion in these environments is at least to some extent determined by processes operating in this sheared granular material. A valid question is how the local behavior at the individual granular contacts actually sums up to influence macroscopic sliding. Laboratory experiments and numerical modeling can potentially help elucidate this. Observations of jamming (stick) and unjamming (flow) as well as concentrated shear bands on the scale of 5-10 grains suggest that a simple continuum description may be insufficient to capture important elements of the behavior. We therefore seek a measure of the organization of the granular fabric and the 3D structure of the load bearing skeleton that effectively demonstrates how the individual grain interactions are manifested in the macroscopic sliding behavior we observe. Contact force networks are an expression of this. Here we investigate the structure and variability of the most connected system spanning force networks produced in 3D discrete element models of granular layers under shear. We use percolation measures to identify, characterize, compare and track the evolution of these strongly connected contact force networks. We show that specific topological measures used in describing the networks, such as number of contacts and coordination number, are sensitive to grain size distribution (and likely the grain shape) of the material as well as loading conditions. Hence, faults of different maturity would be expected to accommodate shear in different ways. Distinct changes in the topological characteristics i.e. the geometry of strong force networks with accumulated strain are directly correlated to fluctuations in macroscopic shearing resistance. This suggests that 3D force networks play an important bridging role between individual grain scale processes and macroscopic sliding behavior.

The Relationship between Polyamines and Hormones in the Regulation of Wheat Grain Filling

PubMed Central

Liu, Yang; Gu, Dandan; Wu, Wei; Wen, Xiaoxia; Liao, Yuncheng

2013-01-01

The grain weight of wheat is strongly influenced by filling. Polyamines (PA) are involved in regulating plant growth. However, the effects of PA on wheat grain filling and its mechanism of action are unclear. The objective of the present study was to investigate the relationship between PAs and hormones in the regulation of wheat grain filling. Three PAs, spermidine (Spd), spermine (Spm), and putrescine (Put), were exogenously applied, and the grain filling characteristics and changes in endogenous PA and hormones, i.e., indole-3-acetic acid (IAA), zeatin (Z) + zeatin riboside (ZR), abscisic acid (ABA), ethylene (ETH) and gibberellin 1+4 (GAs), were quantified during wheat grain filling. Exogenous applications of Spd and Spm significantly increased the grain filling rate and weight, but exogenous Put had no significant effects on these measures. Exogenous Spd and Spm significantly increased the endogenous Spd, Spm, Z+ZR, ABA, and IAA contents and significantly decreased ETH evolution in grains. The endogenous Spd, Spm and Z+ZR contents were positively and significantly correlated with the grain filling rate and weight of wheat, and the endogenous ETH evolution was negatively and significantly correlated with the wheat grain filling rate and weight. Based upon these results, we concluded that PAs were involved in the balance of hormones that regulated the grain filling of wheat. PMID:24205154

Microstructure evolution of Al-doped zinc oxide films prepared by in-line reactive mid-frequency magnetron sputtering

NASA Astrophysics Data System (ADS)

Hong, R. J.; Jiang, X.

2006-07-01

Aluminium-doped zinc oxide (ZnO:Al or AZO) thin films were deposited on glass substrates by reactive mid-frequency (MF) magnetron sputtering from Zn/Al metallic targets. Strong (002) preferred orientation was detected by X-ray diffraction (XRD). It was observed by plan-view transmission electron microscopy (TEM) that an AZO film deposited at low substrate temperature was composed of irregular large grains; but the film prepared at high temperature was composed of moderate sized grains with a regular shape. A secondary phase of ZnO2 was also observed for the film deposited at low substrate temperature. The cross-sectional TEM study of the AZO film showed that prior to the well-aligned columnar growth an initial interfacial zone with nano crystallites were formed. The nano crystallites formed initially with a large tilt angle normal to the substrate surface and during the growth of the transition zone, the tilt angle decreased until it vanished. The evolution of the film structure is discussed in terms of evolutionary selection model and the dynamic deposition process.

Microstructural evolution during thermal annealing of ice-Ih

NASA Astrophysics Data System (ADS)

Hidas, Károly; Tommasi, Andréa; Mainprice, David; Chauve, Thomas; Barou, Fabrice; Montagnat, Maurine

2017-06-01

We studied the evolution of the microstructure of ice-Ih during static recrystallization by stepwise annealing experiments. We alternated thermal annealing and electron backscatter diffraction (EBSD) analyses on polycrystalline columnar ice pre-deformed in uniaxial compression at temperature of -7 °C to macroscopic strains of 3.0-5.2. Annealing experiments were carried out at -5 °C and -2 °C up to a maximum of 3.25 days, typically in 5-6 steps. EBSD crystal orientation maps obtained after each annealing step permit the description of microstructural changes. Decrease in average intragranular misorientation at the sample scale and modification of the misorientation across subgrain boundaries provide evidence for recovery from the earliest stages of annealing. This initial evolution is similar for all studied samples irrespective of their initial strain or annealing temperature. After an incubation period ≥1.5 h, recovery is accompanied by recrystallization (nucleation and grain boundary migration). Grain growth proceeds at the expense of domains with high intragranular misorientations, consuming first the most misorientated parts of primary grains. Grain growth kinetics fits the parabolic growth law with grain growth exponents in the range of 2.4-4.0. Deformation-induced tilt boundaries and kink bands may slow down grain boundary migration. They are stable features during early stages of static recrystallization, only erased by normal growth, which starts after >24 h of annealing.

UNE FORME MICROTUBULAIRE ET PARACRISTALLINE DE RETICULUM ENDOPLASMIQUE DANS LES PHOTOCYTES DES ANNELIDES POLYNOINÆ

PubMed Central

Bassot, J. M.

1966-01-01

Luminous cells of polynoid worm elytra have been examined by methods of electron microscopy, with special attention focused on the fine structure of photogenic grains. These cells send apical prolongations into the mid-part of the elytra. The plasma membrane is very sinuous, and a special kind of desmosome links two portions of the same membrane. In addition to all the organelles which can be found in nonluminescent epithelial cells of the elytra, numerous photogenic grains are contained in their cytoplasm. These grains are composed of undulating microtubules measuring 200 A in diameter; their disposition in the grain is highly regular, and the grains appear as paracrystals. At the borders of the grains, the walls of the microtubules are often in continuity with those of the endoplasmic reticulum and with the external membrane of the nuclear envelope. Because of this fact, the microtubules of the grains may be considered a cytoplasmic organelle, representing a specialized form of the endoplasmic reticulum. The microtubules permit the repartition, inside and outside their walls, of two different products, one being forty-three times more abundant than the other; thus, the contact surface, in comparison to the volume, is greatly increased. The induction of the luminous reaction by change in the permeability of the microtubule walls, allowing contact between the two substances, is suggested as a working hypothesis. There is an evolution of the grains along the axis of the photocytes. The grains are often surrounded by progressively increasing amounts of glycogen. Their paracrystalline disposition is altered at the apex of the luminous cells. PMID:5971968

In-situ TEM observation of the response of ultrafine- and nanocrystalline-grained tungsten to extreme irradiation environments

PubMed Central

El-Atwani, O.; Hinks, J. A.; Greaves, G.; Gonderman, S.; Qiu, T.; Efe, M.; Allain, J. P.

2014-01-01

The accumulation of defects, and in particular He bubbles, can have significant implications for the performance of materials exposed to the plasma in magnetic-confinement nuclear fusion reactors. Some of the most promising candidates for deployment into such environments are nanocrystalline materials as the engineering of grain boundary density offers the possibility of tailoring their radiation resistance properties. In order to investigate the microstructural evolution of ultrafine- and nanocrystalline-grained tungsten under conditions similar to those in a reactor, a transmission electron microscopy study with in situ 2 keV He+ ion irradiation at 950°C has been completed. A dynamic and complex evolution in the microstructure was observed including the formation of defect clusters, dislocations and bubbles. Nanocrystalline grains with dimensions less than around 60 nm demonstrated lower bubble density and greater bubble size than larger nanocrystalline (60–100 nm) and ultrafine (100–500 nm) grains. In grains over 100 nm, uniform distributions of bubbles and defects were formed. At higher fluences, large faceted bubbles were observed on the grain boundaries, especially on those of nanocrystalline grains, indicating the important role grain boundaries can play in trapping He and thus in giving rise to the enhanced radiation tolerance of nanocrystalline materials. PMID:24796578

Nanostructured aluminium titanate (Al{sub 2}TiO{sub 5}) particles and nanofibers: Synthesis and mechanism of microstructural evolution

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

Azarniya, Abolfazl, E-mail: abolfazl_azarniya@mehr.sharif.ir; Azarniya, Amir, E-mail: a.azarnia91@gmail.com; Hosseini, Hamid Reza Madaah, E-mail: madaah@sharif.ir

In this study, aluminium titanate (AT) particles and nanofibers were synthesized through citrate sol gel and sol gel-assisted electrospinning methods in both nanostructured powder and nanofiber forms. The results of X-ray diffraction analysis, field-emission scanning electron microscopy and differential thermal analysis showed that the synthetic products benefit a nanostructured nature with a grain size less than 70 nm. The optimal values for time and temperature at which a roughly pure AT is attained were determined as 2 h and 900 °C, respectively. It was found that the sol gel precursor bears an amorphous structure till 700 °C and begins tomore » be crystallized to alumina, anatase and AT at higher temperatures. Moreover, AT tends to decompose into rutile and alumina at temperatures higher than 900 °C and its degradation rate reaches a maximum at temperatures near to 1100 °C. In this synthesis, citric acid was used as a chelating agent for Al{sup 3} {sup +} and Ti{sup 4} {sup +} ions and it was shown that a low citric acid-to-metal cation ratio leads to larger numbers of nuclei during crystallization and smaller grain size. Finally, a model was suggested to describe the microstructural evolution of AT compound based on a nucleation and growth regime. - Graphical abstract: Display Omitted - Highlights: • We synthesized aluminium titanate ceramic in both powder and nanofiber forms. • The methods in use were citrate sol gel and sol gel-assisted electrospinning. • Powders and nanofibers bear a nanostructured nature with a grain size less than 70 nm. • A model is suggested to describe microstructural evolution of synthetic products.« less

Evolution of Pre-Main Sequence Accretion Disks

NASA Technical Reports Server (NTRS)

Hartmann, Lee W.

2000-01-01

The aim of this project was to develop a comprehensive global picture of the physical conditions in, and evolutionary timescales of, pre-main sequence accretion disks. The results of this work will help constrain the initial conditions for planet formation. To this end we: (1) Developed detailed calculations of disk structure to study physical conditions and investigate the observational effects of grain growth in T Tauri disks; (2) Studied the dusty emission and accretion rates in older disk systems, with ages closer to the expected epoch of (giant) planet formation at 3-10 Myr, and (3) Began a project to develop much larger samples of 3-10 Myr-old stars to provide better empirical constraints on protoplanetary disk evolution.

Preliminary 3D In-situ measurements of the texture evolution of strained H2O ice during annealing using neutron Laue diffractometry

NASA Astrophysics Data System (ADS)

Journaux, Baptiste; Montagnat, Maurine; Chauve, Thomas; Ouladdiaf, Bachir; Allibon, John

2015-04-01

Dynamic recrystallization (DRX) strongly affects the evolution of microstructure (grain size and shape) and texture (crystal preferred orientation) in materials during deformation at high temperature. Since texturing leads to anisotropic physical properties, predicting the effect of DRX is essential for industrial applications, for interpreting geophysical data and modeling geodynamic flows, and predicting ice sheet flow and climate evolution. A large amount of literature is available related to metallurgy, geology or glaciology, but there remains overall fundamental questions about the relationship between nucleation, grain boundary migration and texture development at the microscopic scale. Previous measurements of DRX in ice were either conducted using 2D ex-situ techniques such as AITA [1,2] or Electron Backscattering Diffraction (EBSD) [3], or using 3D statistical ex-situ [4] or in-situ [5] techniques. Nevertheless, all these techniques failed to observe at the scale of nucleation processes during DRX in full 3D. Here we present a new approach using neutron Laue diffraction, which enable to perform 3D measurements of in-situ texture evolution of strained polycrystalline H2O ice (>2% at 266 K) during annealing at the microscopic scale. Thanks the CYCLOPS instrument [6] (Institut Laue Langevin Grenoble, France) and the intrinsic low background of this setup, preliminary observations enabled us to follow, in H2O ice, the evolution of serrated grain boundaries, and kink-band during annealing. Our observations show a significant evolution of the texture and internal misorientation over the course of few hours at an annealing temperature of 268.5 K. In the contrary, ice kink-band structures seem to be very stable over time at near melting temperatures. The same samples have been analyzed ex-situ using EBSD for comparison. These results represent a first step toward in-situ microscopic measurements of dynamic recrystallization processes in ice during strain. This experiment has been conducted in the frame of the ANR-funded DREAM project that focuses on the recrystallization processes in anisotropic materials. References [1] D. S. Russell-Head and C.J.L. Wilson., 2001, Journal of Glaciology, 24, 117-130. [2] Wilson, C.J.L., Peternell, M., Piazolo, S., Luzin, V., 2014, Journal of Structural Geology, Microdynamics of Ice, 61, 50-77. [3] M. Montagnat, T. Chauve, F. Barou, A. Tommasi, B. Beausir, C. Fressengeas., in prep. [4] T. H. Jacka and J. Li., 2000, In T. Hondoh, editor, Physics of Ice Core Records, pages 83-102. Hokkaido University Press, Sapporo. [5] S. Piazolo, C. J. L. Wilson, V. Luzin, C. Brouzet, and M. Peternell., 2013, Geochemistry, Geophysics, Geosystems, 14, 4185-4194. [6] B. Ouladdiaf et al., 2011, Journal of Applied Crystallography, 44, 392-397.

Evolution of LiFePO4 thin films interphase with electrolyte

NASA Astrophysics Data System (ADS)

Dupré, N.; Cuisinier, M.; Zheng, Y.; Fernandez, V.; Hamon, J.; Hirayama, M.; Kanno, R.; Guyomard, D.

2018-04-01

Many parameters may control the growth and the characteristics of the interphase, such as surface structure and morphology, structural defects, grain boundaries, surface reactions, etc. However, polycrystalline surfaces contain these parameters simultaneously, resulting in a quite complicated system to study. Working with model electrode surfaces using crystallographically oriented crystalline thin films appears as a novel and unique approach to understand contributions of preferential orientation and rugosity of the surface. In order to rebuild the interphase architecture along electrochemical cycling, LiFePO4 epitaxial films offering ideal 2D (100) interfaces are here investigated through the use of non-destructive depth profiling by Angular Resolved X-ray Photoelectron Spectroscopy (ARXPS). The composition and structure of the interphase is then monitored upon cycling for samples stopped at the end of charge and discharge for various numbers of cycles, and discussed in the light of combined XPS and X-ray reflectivity (XRR) measurements. Such an approach allows describing the interphase evolution on a specific model LiFePO4 crystallographic orientation and helps understanding the nature and evolution of the LiFePO4/electrolyte interphase forming on the surface of LiFePO4 poly-crystalline powder.

Discrete element modeling of shock-induced particle jetting

NASA Astrophysics Data System (ADS)

Xue, Kun; Cui, Haoran

2018-05-01

The dispersal of particle shell or ring by divergent impulsive loads takes the form of coherent particle jets with the dimensions several orders larger than that of constituent grain. Particle-scale simulations based on the discrete element method have been carried out to reveal the evolution of jets in semi-two-dimensional rings before they burst out of the external surface. We identify two key events which substantially change the resulted jetting pattern, specifically, the annihilation of incipient jets and the tip-slipping of jets, which become active in different phases of jet evolution. Parametric investigations have been done to assess the correlations between the jetting pattern and a variety of structural parameters. Overpressure, the internal and outer diameters of ring as well as the packing density are found to have effects on the jet evolution with different relative importance.

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

DOE PAGES

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

2017-03-01

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

Oscillatory ductile compaction dynamics in a cylinder

NASA Astrophysics Data System (ADS)

Uri, Lina; Dysthe, Dag Kristian; Feder, Jens

2006-09-01

Ductile compaction is common in many natural systems, but the temporal evolution of such systems is rarely studied. We observe surprising oscillations in the weight measured at the bottom of a self-compacting ensemble of ductile grains. The oscillations develop during the first ten hours of the experiment, and usually persist through the length of an experiment (one week). The weight oscillations are connected to the grain-wall contacts, and are directly correlated with the observed strain evolution and the dynamics of grain-wall contacts during the compaction. Here, we present the experimental results and characteristic time constants of the system, and discuss possible reasons for the measured weight oscillations.

Oscillatory ductile compaction dynamics in a cylinder.

PubMed

Uri, Lina; Dysthe, Dag Kristian; Feder, Jens

2006-09-01

Ductile compaction is common in many natural systems, but the temporal evolution of such systems is rarely studied. We observe surprising oscillations in the weight measured at the bottom of a self-compacting ensemble of ductile grains. The oscillations develop during the first ten hours of the experiment, and usually persist through the length of an experiment (one week). The weight oscillations are connected to the grain-wall contacts, and are directly correlated with the observed strain evolution and the dynamics of grain-wall contacts during the compaction. Here, we present the experimental results and characteristic time constants of the system, and discuss possible reasons for the measured weight oscillations.

Evolution of Icy Dust Grains in the Vicinity of a Cometary Nucleus

NASA Astrophysics Data System (ADS)

Hilchenbach, M.

2009-12-01

From late 2014 onwards, ESA's cornerstone mission ROSETTA will orbit the comet 67P/Churyumov-Gerasimenko. One instrument, COSIMA, will collect cometary dust grains and analyze the grains via secondary mass spectrometry. Models of the evolution of icy dust, accelerated by drag forces of subliming gas and exposed to solar radiation, should set constrains on the detection limits of the COSIMA instrument for volatile icy components. A straightforward modeling approach is applied as a baseline for the observational planing schedule of the instrument operations in the years 2014/2015 as ROSETTA escorts the comet nucleus up to perihelion and beyond.

Coarse-grained description of cosmic structure from Szekeres models

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

Sussman, Roberto A.; Gaspar, I. Delgado; Hidalgo, Juan Carlos, E-mail: sussman@nucleares.unam.mx, E-mail: ismael.delgadog@uaem.edu.mx, E-mail: hidalgo@fis.unam.mx

2016-03-01

We show that the full dynamical freedom of the well known Szekeres models allows for the description of elaborated 3-dimensional networks of cold dark matter structures (over-densities and/or density voids) undergoing ''pancake'' collapse. By reducing Einstein's field equations to a set of evolution equations, which themselves reduce in the linear limit to evolution equations for linear perturbations, we determine the dynamics of such structures, with the spatial comoving location of each structure uniquely specified by standard early Universe initial conditions. By means of a representative example we examine in detail the density contrast, the Hubble flow and peculiar velocities ofmore » structures that evolved, from linear initial data at the last scattering surface, to fully non-linear 10–20 Mpc scale configurations today. To motivate further research, we provide a qualitative discussion on the connection of Szekeres models with linear perturbations and the pancake collapse of the Zeldovich approximation. This type of structure modelling provides a coarse grained—but fully relativistic non-linear and non-perturbative —description of evolving large scale cosmic structures before their virialisation, and as such it has an enormous potential for applications in cosmological research.« less

Exploring the impact of multiple grain sizes in numerical landscape evolution model

NASA Astrophysics Data System (ADS)

Guerit, Laure; Braun, Jean; Yuan, Xiaoping; Rouby, Delphine

2017-04-01

Numerical evolution models have been widely developed in order to understand the evolution of landscape over different time-scales, but also the response of the topography to changes in external conditions, such as tectonics or climate, or to changes in the bedrock characteristics, such as its density or its erodability. Few models have coupled the evolution of the relief in erosion to the evolution of the related area in deposition, and in addition, such models generally do not consider the role of the size of the sediments reached the depositional domain. Here, we present a preliminary work based on an enhanced version of Fastscape, a very-efficient model solving the stream power equation, which now integrates a sedimentary basin at the front of a relief, together with the integration of multiple grain sizes in the system. Several simulations were performed in order to explore the impact of several grain sizes in terms of stratigraphy in the marine basin. A simple setting is considered, with uniform uplift rate, precipitation rate, and rock properties onshore. The pros and cons of this approach are discussed with respect to similar simulations performed considering only flux.

Observations of Fabric Development in Polycrystalline Ice at Basal Pressures: Methods and Initial Results

NASA Astrophysics Data System (ADS)

Breton, D. J.; Baker, I.; Cole, D. M.

2012-12-01

Understanding and predicting the flow of polycrystalline ice is crucial to ice sheet modeling and paleoclimate reconstruction from ice cores. Ice flow rates depend strongly on the fabric (i.e. the distribution of grain sizes and crystallographic orientations) which evolves over time and enhances the flow rate in the direction of applied stress. The mechanisms for fabric evolution in ice have been extensively studied at atmospheric pressures, but little work has been done to observe these processes at the high pressures experienced deep within ice sheets where long-term changes in ice rheology are expected to have significance. We conducted compressive creep tests on a 917 kg m-3 polycrystalline ice specimen at 20 MPa hydrostatic pressure, thus simulating ~2,000 m depth. Initial specimen grain orientations were random, typical grain diameters were 1.2 mm, and the applied creep stress was 0.3 MPa. Subsequent microstructural analyses on the deformed specimen and a similarly prepared, undeformed specimen allowed characterization of crystal fabric evolution under pressure. Our microstructural analysis technique simultaneously collected grain shape and size data from Scanning Electron Microscope (SEM) micrographs and obtained crystallographic orientation data via Electron BackScatter Diffraction (EBSD). Combining these measurements allows rapid analysis of the ice fabric over large numbers of grains, yielding statistically useful numbers of grain size and full c- and a-axis grain orientation data. The combined creep and microstructural data demonstrate pressure-dependent effects on the mechanical and microstructural evolution of polycrystalline ice. We discuss possible mechanisms for the observed phenomena, and future directions for hydrostatic creep testing.

Dynamics of formation of low-angle tilt boundaries in metals and alloys at high loading rates

NASA Astrophysics Data System (ADS)

Gutkin, M. Yu.; Rzhavtsev, E. A.

2015-12-01

A computer model has been developed in which the process of formation of low-angle tilt boundaries and fragmentation of initial subgrains during shock loading of metals and alloys is clearly demonstrated by the of two-dimensional discrete dislocation-disclination dynamics method. The formation and evolution of such grains proceeds under the action of an external stress and the stress field of grain boundary disclinations distributed on the subgrain boundaries. With the D16 aluminum alloy as an example, three cases of fragmented structures formed in accordance with the initial configuration of the disclination ensemble have been considered for a dipole, quadrupole, and arbitrary octupole of wedge disclinations. It has been shown that, in all these cases, the formation of a stable fragmented structure requires a stress of ~0.5 GPa and time of 10 ns. The main results of computer simulation (the finite form of a fragmented structure, typical level of applied stress, and small fragmentation time) agree well with known experimental results on shock compression of the D16 aluminum alloy.

Effects of aging treatment on the microstructure and superelasticity of columnar-grained Cu71Al18Mn11 shape memory alloy

NASA Astrophysics Data System (ADS)

Liu, Ji-li; Huang, Hai-you; Xie, Jian-xin

2016-10-01

The effect of aging treatment on the superelasticity and martensitic transformation critical stress in columnar-grained Cu71Al18Mn11 shape memory alloy (SMA) at the temperature ranging from 250°C to 400°C was investigated. The microstructure evolution during the aging treatment was characterized by optical microscopy, scanning electron microscopy, transmission electron microscopy, and X-ray diffraction. The results show that the plate-like bainite precipitates distribute homogeneously within austenitic grains and at grain boundaries. The volume fraction of bainite increases with the increase in aging temperature and aging time, which substantially improves the martensitic transformation critical stress of the alloy, whereas the bainite only slightly affects the superelasticity. This behavior is attributed to a coherent relationship between the bainite and the austenite, as well as to the bainite and the martensite exhibiting the same crystal structure. The variations of the martensitic transformation critical stress and the superelasticity of columnar-grained Cu71Al18Mn11 SMA with aging temperature and aging time are described by the Austin-Rickett equation, where the activation energy of bainite precipitation is 77.2 kJ·mol-1. Finally, a columnar-grained Cu71Al18Mn11 SMA with both excellent superelasticity (5%-9%) and high martensitic transformation critical stress (443-677 MPa) is obtained through the application of the appropriate aging treatments.

A Mudball Model for the Evolution of Carbonaceous Asteroids

NASA Astrophysics Data System (ADS)

Travis, B. J.; Bland, P. A.

2018-05-01

We simulation the evolution of carbonaceous chondrite parent bodies from initially unconsolidated aggregations of rock grains and ice crystals. Application of the numerical model MAGHNUM to evolution of CM type planetesimals and Ceres is described.

Investigation of hydrogen evolution activity for the nickel, nickel-molybdenum nickel-graphite composite and nickel-reduced graphene oxide composite coatings

NASA Astrophysics Data System (ADS)

Jinlong, Lv; Tongxiang, Liang; Chen, Wang

2016-03-01

The nickel, nickel-molybdenum alloy, nickel-graphite and nickel-reduced graphene oxide composite coatings were obtained by the electrodeposition technique from a nickel sulfate bath. Nanocrystalline molybdenum, graphite and reduced graphene oxide in nickel coatings promoted hydrogen evolution reaction in 0.5 M H2SO4 solution at room temperature. However, the nickel-reduced graphene oxide composite coating exhibited the highest electrocatalytic activity for the hydrogen evolution reaction in 0.5 M H2SO4 solution at room temperature. A large number of gaps between 'cauliflower' like grains could decrease effective area for hydrogen evolution reaction in slight amorphous nickel-molybdenum alloy. The synergistic effect between nickel and reduced graphene oxide promoted hydrogen evolution, moreover, refined grain in nickel-reduced graphene oxide composite coating and large specific surface of reduced graphene oxide also facilitated hydrogen evolution reaction.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Effect of periodic fluctuation of soil particle rotation resistance on interface shear behaviour

NASA Astrophysics Data System (ADS)

Ebrahimian, Babak; Noorzad, Asadollah

2010-06-01

The interface behaviour between infinite extended narrow granular layer and bounding structure is numerically investigated using finite element method. The micro-polar (Cosserat) continuum approach within the framework of elasto-plasticity is employed to remove the numerical difficulties caused by strain-softening of materials in classical continuum mechanics. Mechanical properties of cohesionless granular soil are described with Lade's model enhanced with polar terms including Cosserat rotations, curvatures and couple stresses via mean grain diameter as the internal length. The main attention of paper is laid on the influence of spatial periodic fluctuation of rotation resistance of soil particles interlocked with the surface of bounding structure on evolution and location of shear band developed inside granular body. The finite element results demonstrate that the location and evolution of shear localization in granular body is strongly affected by prescribed non-uniform micro-polar kinematic boundary conditions along the interface.

Electrical Evolution of a Dust Plume from a Low Energy Lunar Impact: A Model Analog to LCROSS

NASA Technical Reports Server (NTRS)

Farrell, W. M.; Stubbs, T. J.; Jackson, T. L.; Colaprete, A.; Heldmann, J. L.; Schultz, P. H.; Killen, R. M.; Delory, G. T.; Halekas, J. S.; Marshall, J. R.;

Experimental and Numerical Analysis of Microstructures and Stress States of Shot-Peened GH4169 Superalloys

NASA Astrophysics Data System (ADS)

Hu, Dianyin; Gao, Ye; Meng, Fanchao; Song, Jun; Wang, Rongqiao

2018-04-01

Combining experiments and finite element analysis (FEA), a systematic study was performed to analyze the microstructural evolution and stress states of shot-peened GH4169 superalloy over a variety of peening intensities and coverages. A dislocation density evolution model was integrated into the representative volume FEA model to quantitatively predict microstructural evolution in the surface layers and compared with experimental results. It was found that surface roughness and through-depth residual stress profile are more sensitive to shot-peening intensity compared to coverage due to the high kinetic energy involved. Moreover, a surface nanocrystallization layer was discovered in the top surface region of GH4169 for all shot-peening conditions. However, the grain refinement was more intensified under high shot-peening coverage, under which enough time was permitted for grain refinement. The grain size gradient predicted by the numerical framework showed good agreement with experimental observations.

The influence of sediment transport rate on the development of structure in gravel bed rivers

NASA Astrophysics Data System (ADS)

Ockelford, Annie; Rice, Steve; Powell, Mark; Reid, Ian; Nguyen, Thao; Tate, Nick; Wood, Jo

2013-04-01

Although adjustments of surface grain size are known to be strongly influenced by sediment transport rate little work has systematically explored how different transport rates can affect the development of surface structure in gravel bed rivers. Specifically, it has been well established that the transport of mixed sized sediments leads to the development of a coarser surface or armour layer which occurs over larger areas of the gravel bed. Armour layer development is known to moderate overall sediment transport rate as well as being extremely sensitive to changes in applied shear stress. However, during this armouring process a bed is created where, smaller gain scale changes, to the bed surface are also apparent such as the development of pebble clusters and imbricate structures. Although these smaller scale changes affect the overall surface grain size distribution very little their presence has the ability to significantly increase the surface stability and hence alter overall sediment transport rates. Consequently, the interplay between the moderation of transport rate as a function of surface coarsening at a larger scale and moderation of transport rate as a function of the development of structure on the bed surface at the smaller scale is complicated and warrants further investigation. During experiments a unimodal grain size distribution (σg = 1.30, D50 = 8.8mm) was exposed to 3 different levels of constant discharge that produced sediment transport conditions ranging from marginal transport to conditions approaching full mobility of all size fractions. Sediment was re-circulated during the experiments surface grain size distribution bed load and fractional transport rates were measured at a high temporal resolution such that the time evolution of the beds could be fully described. Discussion concentrates on analysing the effects of the evolving bed condition sediment transport rate (capacity) and transported grain size (competence). The outcome of this research is pertinent to developing new methods of linking the development of bed surface organisation with near bed flow characteristics and bed load transport in gravel bed rivers. Keywords: Graded, Sediment, Structure

Phase-field model simulation of ferroelectric/antiferroelectric materials microstructure evolution under multiphysics loading

NASA Astrophysics Data System (ADS)

Zhang, Jingyi

Ferroelectric (FE) and closely related antiferroelectric (AFE) materials have unique electromechanical properties that promote various applications in the area of capacitors, sensors, generators (FE) and high density energy storage (AFE). These smart materials with extensive applications have drawn wide interest in the industrial and scientific world because of their reliability and tunable property. However, reliability issues changes its paradigms and requires guidance from detailed mechanism theory as the materials applications are pushed for better performance. A host of modeling work were dedicated to study the macro-structural behavior and microstructural evolution in FE and AFE material under various conditions. This thesis is focused on direct observation of domain evolution under multiphysics loading for both FE and AFE material. Landau-Devonshire time-dependent phase field models were built for both materials, and were simulated in finite element software Comsol. In FE model, dagger-shape 90 degree switched domain was observed at preexisting crack tip under pure mechanical loading. Polycrystal structure was tested under same condition, and blocking effect of the growth of dagger-shape switched domain from grain orientation difference and/or grain boundary was directly observed. AFE ceramic model was developed using two sublattice theory, this model was used to investigate the mechanism of energy efficiency increase with self-confined loading in experimental tests. Consistent results was found in simulation and careful investigation of calculation results gave confirmation that origin of energy density increase is from three aspects: self-confinement induced inner compression field as the cause of increase of critical field, fringe leak as the source of elevated saturation polarization and uneven defects distribution as the reason for critical field shifting and phase transition speed. Another important affecting aspect in polycrystalline materials is the texture of material, textured materials have better alignment and the alignment reorganization is associated with inelastic strain. We developed a vector field of alignment to describe texture degree and introduced the alignment vector into our FE and AFE model. The model with alignment field gave quantatively results for the well-recognized irreversible strain in AFE virgin ceramics during the first poling process. The texture field also shows a shielding zone under mechanical loading around existing crack tip. In conclusion, this thesis developed working models of FE and AFE material and systematically studied their behavior under multiphysics loading in a finite element analysis approach. Materials structure of polycrystal materials including grain orientation, grain boundary, defects and materials texture were tested for their effect on hysteresis and switched domain growth. Detailed microstructure development in domain switching and alignment was directly observed in this simulation.

Mineral Grains, Dimples, and Hot Volcanic Organic Streams: Dynamic Geological Backstage of Macromolecular Evolution.

PubMed

Skoblikow, Nikolai E; Zimin, Andrei A

2018-04-01

The hypothesis of hot volcanic organic stream as the most probable and geologically plausible environment for abiogenic polycondensation is proposed. The primary synthesis of organic compounds is considered as result of an explosive volcanic (perhaps, meteorite-induced) eruption. The eruption was accompanied by a shock wave propagating in the primeval atmosphere and resulting in the formation of hot cloud of simple organic compounds-aldehydes, alcohols, amines, amino alcohols, nitriles, and amino acids-products, which are usually obtained under the artificial conditions in the spark-discharge experiments. The subsequent cooling of the organic cloud resulted in a gradual condensation and a serial precipitation of organic compounds (in order of decreasing boiling point values) into the liquid phase forming a hot, viscous and muddy organic stream (named "lithorheos"). That stream-even if the time of its existence was short-is considered here as a geologically plausible environment for abiogenic polycondensation. The substances successively prevailing in such a stream were cyanamide, acetamide, formamide, glycolonitrile, acetonitrile. An important role was played by mineral (especially, phosphate-containing) grains (named "lithosomes"), whose surface was modified with heterocyclic nitrogen compounds synthesized in the course of eruption. When such grains got into hot organic streams, their surface catalytic centers (named "lithozymes") played a decisive role in the emergence, facilitation and maintenance of prebiotic reactions and key processes characteristic of living systems. Owing to its cascade structure, the stream was a factor underlying the formation of mineral-polymeric aggregates (named "lithocytes") in the small natural streambed cavities (dimples)-as well as a factor of their further spread within larger geological locations which played a role of chemo-ecological niches. All three main stages of prebiotic evolution (primary organic synthesis, polycondensation, and formation of proto-cellular structures) are combined within a common dynamic geological process. We suppose macromolecular evolution had an extremely fast, "flash" start: the period from volcanic eruption to formation of lithocyte "populations" took not million years but just several tens of minutes. The scenario proposed can be verified experimentally with a three-module setup working with principles of dynamic (flow) chemistry in its core element.

GrainGenes: Changing Times, Changing Databases, Digital Evolution.

USDA-ARS?s Scientific Manuscript database

The GrainGenes database is one of few agricultural databases that had an early start on the Internet and that has changed with the times. Initial goals were to collect a wide range of data relating to the developing maps and attributes of small grains crops, and to make them easily accessible. The ...

Dust Coagulation in Infalling Protostellar Envelopes I. Compact Grains

NASA Technical Reports Server (NTRS)

Yorke, H.; Suttner, G.; Lin, D.

1999-01-01

Dust plays a key role in the optical, thermodynamic and gas dynamical behavior of collapsing molecular cores. Because of relative velocities of the individual dust grains, coagulation and shattering can modify the grain size distribution and due to corresponding changes in the medium's opacity significantly influence the evolution during early phase of star formation.

Dust Coagulation in Infalling Protostellar Envelopes I. Compact Grains

NASA Technical Reports Server (NTRS)

Yorke, H.; Lin, D.; Suttner, G.

1999-01-01

Dust plays a key role in the optical, thermodynamic and gas dynamical behavior of collapsing molecular cores. Because of relative velocities of the individual dust grains, coagulation and shattering can modify the grain size distribution and -- due to corresponding changes in the medium's opacity significantly -- influence the evolution during early phases of star formation.

Nanostructural evolution and behavior of H and Li in ion-implanted γ-LiAlO 2

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

Jiang, Weilin; Zhang, Jiandong; Edwards, Danny J.

In-situ He+ ion irradiation is performed under a helium ion microscope to study nanostructural evolution in polycrystalline gamma-LiAlO2 pellets. Various locations within a grain, across grain boundaries and at a cavity are selected. The results exhibit He bubble formation, grain-boundary cracking, nanoparticle agglomeration, increasing surface brightness with dose, and material loss from the surface. Similar brightening effects at grain boundaries are also observed under a scanning electron microscope. Li diffusion and loss from polycrystalline gamma-LiAlO2 is faster than its monocrystalline counterpart during H2+ ion implantation at elevated temperatures. There is also more significant H diffusion and release from polycrystalline pelletsmore » during thermal annealing of 300 K implanted samples. Grain boundaries and cavities could provide a faster pathway for H and Li diffusion. H release is slightly faster from the 573 K implanted monocrystalline gamma-LiAlO2 during annealing at 773 K. Metal hydrides could be formed preferentially along the grain boundaries to immobilize hydrogen.« less

Microstructural evolution during reheating of A356 machining chips at semisolid state

NASA Astrophysics Data System (ADS)

Wang, Fang; Zhang, Wen-qiang; Xiao, Wen-long; Yamagata, Hiroshi; Ma, Chao-li

2017-08-01

The microstructural evolution of A356 machining chips in the semisolid state was studied at different temperatures and holding times. The results showed that the elongated α-Al grains first recrystallized in the semisolid state and then became globular with a high shape factor (SF). Both the temperature and the holding time clearly affected the grain size and SF. When the heating temperature or holding time was increased, the grain size and SF gradually increased and finally became stable. Moreover, the Vickers hardness of primary α-Al grains gradually decreased with increasing heating temperature. The optimal slurry for semisolid processing, with a good combination of grain size and SF, was obtained when the chips were held at 600°C for 15 min. The semisolid slurry of A356 chips exhibited a lower coarsening rate of α-Al grains than those produced by most of the conventional semisolid processes. The coarsening coefficient was determined to be 436 μm3·s-1 on the basis of the linear Lifshitz-Slyozov-Wagner (LSW) relationship.

Suction and cohesion demise in desaturating granular medium

NASA Astrophysics Data System (ADS)

Hueckel, T.; Mielniczuk, B.; El-Youssoufi, S. M.

2017-12-01

Continuum mechanics for unsaturated soils is based on the assumption of a one-to-one relationship betwee saturation degree and suction represented by the characteristic curve. Such curve commonly shows exceedingly high values of suction at saturation decreasing below 10%. We have performed a series of experiments on physical micro-structural models of 8-, 5, 4, 3, and 2-grain assemblies filled with water forming capillary, funicular and pendular bridges. Dynamic variables characterizing the evolution include: Laplace pressure, surface tension force, total intergralular force, contact angle and contact perimeter length. The Laplace pressure was calculated from the directly measured curvatures of interface surface for 2-grain bridges, and estimated from tomography stills for 3 grain bridges. The initial negative Laplace pressure (suction) as well as total intergranular force increase modestly at the begining of evaporation, but undergo an unstable decrease at the advanced stage, often with a jump in the force known as a Haines jumps since 1925. Laplace pressure turns into positive values prior to rupture for 2-grain bodies. For 3-grain bridges there is never an exceedingly high intergranular force of suction, reported in macro-scale experiments. For multiple-grain bodies there are two types of instabilities, depending on densitiy of the assembly and the Gaussian curvature (GC): at positive GC points it is thin-sheet instability, while at negative GC points instability is linked with air entry fingers, all associated with the split of assemblies into smaller isolated funicular, and eventually pendular bodies. The multi-grain bridges instabilities are linked to material drying cracking, the instabilities in 2 grain systems mean eventual loss of cohesion.

A continuum theory of grain size evolution and damage

NASA Astrophysics Data System (ADS)

Ricard, Y.; Bercovici, D.

2009-01-01

Lithospheric shear localization, as occurs in the formation of tectonic plate boundaries, is often associated with diminished grain size (e.g., mylonites). Grain size reduction is typically attributed to dynamic recrystallization; however, theoretical models of shear localization arising from this hypothesis are problematic because (1) they require the simultaneous action of two creep mechanisms (diffusion and dislocation creep) that occur in different deformation regimes (i.e., in grain size stress space) and (2) the grain growth ("healing") laws employed by these models are derived from normal grain growth or coarsening theory, which are valid in the absence of deformation, although the shear localization setting itself requires deformation. Here we present a new first principles grained-continuum theory, which accounts for both coarsening and damage-induced grain size reduction in a monomineralic assemblage undergoing irrecoverable deformation. Damage per se is the generic process for generation of microcracks, defects, dislocations (including recrystallization), subgrains, nuclei, and cataclastic breakdown of grains. The theory contains coupled macroscopic continuum mechanical and grain-scale statistical components. The continuum level of the theory considers standard mass, momentum, and energy conservation, as well as entropy production, on a statistically averaged grained continuum. The grain-scale element of the theory describes both the evolution of the grain size distribution and mechanisms for both continuous grain growth and discontinuous grain fracture and coalescence. The continuous and discontinuous processes of grain size variation are prescribed by nonequilibrium thermodynamics (in particular, the treatment of entropy production provides the phenomenological laws for grain growth and reduction); grain size evolution thus incorporates the free energy differences between grains, including both grain boundary surface energy (which controls coarsening) and the contribution of deformational work to these free energies (which controls damage). In the absence of deformation, only two mechanisms that increase the average grain size are allowed by the second law of thermodynamics. One mechanism, involving continuous diffusive mass transport from small to large grains, captures the essential components of normal grain growth theories of Lifshitz-Slyosov and Hillert. The second mechanism involves the aggregation of grains and is described using a Smoluchovski formalism. With the inclusion of deformational work and damage, the theory predicts two mechanisms for which the thermodynamic requirement of entropy positivity always forces large grains to shrink and small ones to grow. The first such damage-driven mechanism involving continuous mass transfer from large to small grains tends to homogenize the distribution of grain size toward its initial mean grain size. The second damage mechanism favors the creation of small grains by discontinuous division of larger grains and reduces the mean grain size with time. When considered separately, most of these mechanisms allow for self-similar grain size distributions whose scales (i.e., statistical moments such as the mean, variance, and skewness) can all be described by a single grain scale, such as the mean or maximum. However, the combination of mechanisms, e.g., one that captures the competition between continuous coarsening and mean grain size reduction by breakage, does not generally permit a self-similar solution for the grain size distribution, which contradicts the classic assumption that grain growth laws allowing for both coarsening and recrystallization can be treated with a single grain scale such as the mean size.

Effect of High Strain-Rate Deformation and Aging Temperature on the Evolution of Structure, Microhardness, and Wear Resistance of Low-Alloyed Cu-Cr-Zr Alloy

NASA Astrophysics Data System (ADS)

Kheifets, A. E.; Khomskaya, I. V.; Korshunov, L. G.; Zel'dovich, V. I.; Frolova, N. Yu.

2018-04-01

The effect of the preliminary high strain-rate deformation, performed via the method of dynamic channel-angular pressing (DCAP), and subsequent annealings on the tribological properties of a dispersionhardened Cu-0.092 wt % Cr-0.086 wt % Zr alloy has been investigated. It has been shown that the surfacelayer material of the alloy with a submicrocrystalline (SMC) structure obtained by the DCAP method can be strengthened using severe plastic deformation by sliding friction at the expense of creating a nanocrystalline structure with crystallites of 15-60 nm in size. It has been shown that the SMC structure obtained by the high strain-rate DCAP deformation decreases the wear rate of the samples upon sliding friction by a factor of 1.4 compared to the initial coarse-grained state. The maximum values of the microhardness and minimum values of the coefficient of friction and shear strength have been obtained in the samples preliminarily subjected to DCAP and aging at 400°C. The attained level of microhardness is 3350 MPa, which exceeds the microhardness of the alloy in the initial coarse-grained state by five times.

Effects of grain size evolution on mantle dynamics

NASA Astrophysics Data System (ADS)

Schulz, Falko; Tosi, Nicola; Plesa, Ana-Catalina; Breuer, Doris

2016-04-01

The rheology of planetary mantle materials is strongly dependent on temperature, pressure, strain-rate, and grain size. In particular, the rheology of olivine, the most abundant mineral of the Earth's upper mantle, has been extensively studied in the laboratory (e.g., Karato and Wu, 1993; Hirth and Kohlstedt, 2003). Two main mechanisms control olivine's deformation: dislocation and diffusion creep. While the former implies a power-law dependence of the viscosity on the strain-rate that leads to a non-Newtonian behaviour, the latter is sensitively dependent on the grain size. The dynamics of planetary interiors is locally controlled by the deformation mechanism that delivers the lowest viscosity. Models of the dynamics and evolution of planetary mantles should thus be capable to self-consistently distinguish which of the two mechanisms dominates at given conditions of temperature, pressure, strain-rate and grain size. As the grain size can affect the viscosity associated with diffusion creep by several orders of magnitude, it can strongly influence the dominant deformation mechanism. The vast majority of numerical, global-scale models of mantle convection, however, are based on the use of a linear diffusion-creep rheology with constant grain-size. Nevertheless, in recent studies, a new equation has been proposed to properly model the time-dependent evolution of the grain size (Austin and Evens, 2007; Rozel et al., 2010). We implemented this equation in our mantle convection code Gaia (Hüttig et al., 2013). In the framework of simple models of stagnant lid convection, we compared simulations based on the fully time-dependent equation of grain-size evolution with simulations based on its steady-state version. In addition, we tested a number of different parameters in order to identify those that affects the grain size to the first order and, in turn, control the conditions at which mantle deformation is dominated by diffusion or dislocation creep. References Austin, N. J. and Evans, B. (2007). Geology, 35(4):343. Hirth, G. and Kohlstedt, D. (2003). Geophysical Monograph Series, page 83105. Hüttig, C., Tosi, N., and Moore, W. B. (2013). Physics of the Earth and Planetary Interiors, 220:11-18. Karato, S.-i. and Wu, P. (1993). Science, 260(5109):771778. Rozel, A., Ricard, Y., and Bercovici, D. (2010). Geophysical Journal International, 184(2):719728.

Evolution of the Structural-Phase State of a Ti-Al- V-Mo Alloy During Severe Plastic Deformation and SubSequent Annealing

NASA Astrophysics Data System (ADS)

Grabovetskaya, G. P.; Ratochka, I. V.; Mishin, I. P.; Zabudchenko, O. V.; Lykova, O. N.

2016-05-01

The effect of the initial phase composition of a Ti-Al-V-Mo alloy (VT16 according to Russian classification) on the evolution of its structural-phase state during the formation of ultrafine-grained structure and subsequent annealing is investigated by methods of optical and transmission electron microscopy and x-ray diffraction analysis. The structure is produced by cyclic pressing with a change of the deformation axis in each cycle combined with a gradual decrease of the pressing temperature from 1073 to 723 K. As this takes place, α″ → α + β and β → α phase transitions are found to develop in the test alloy. The phase state of the ultrafinegrained material thus produced depends for the most part on its elemental composition and severe plastic deformation regime. Annealing below the recrystallization temperature is shown to give rise to a β→α phase transition and alloying element redistribution. The foregoing processes allow for retaining a high level of the strength properties of the alloy.

Expelled grains from an unseen parent body around AU Microscopii

NASA Astrophysics Data System (ADS)

Sezestre, É.; Augereau, J.-C.; Boccaletti, A.; Thébault, P.

2017-11-01

Context. Recent observations of the edge-on debris disk of AU Mic have revealed asymmetric, fast outward-moving arch-like structures above the disk midplane. Although asymmetries are frequent in debris disks, no model can readily explain the characteristics of these features. Aims: We present a model aiming to reproduce the dynamics of these structures, more specifically their high projected speeds and their apparent position. We test the hypothesis of dust emitted by a point source and then expelled from the system by the strong stellar wind of this young M-type star. In this model we make the assumption that the dust grains follow the same dynamics as the structures, I.e., they are not local density enhancements. Methods: We perform numerical simulations of test particle trajectories to explore the available parameter space, in particular the radial location R0 of the dust producing parent body and the size of the dust grains as parameterized by the value of β (ratio of stellar wind and radiation pressure forces over gravitation). We consider the cases of a static and of an orbiting parent body. Results: We find that for all considered scenarios (static or moving parent body), there is always a set of (R0,β) parameters able to fit the observed features. The common characteristics of these solutions is that they all require a high value of β, of around 6. This means that the star is probably very active, and the grains composing the structures are submicronic in order for observable grains to reach such high β values. We find that the location of the hypothetical parent body is closer in than the planetesimal belt, around 8 ± 2 au (orbiting case) or 28 ± 7 au (static case). A nearly periodic process of dust emission appears, of 2 yr in the orbiting scenarios and 7 yr in the static case. Conclusions: We show that the scenario of sequential dust releases by an unseen point-source parent body is able to explain the radial behavior of the observed structures. We predict the evolution of the structures to help future observations discriminate between the different parent body configurations that have been considered. In the orbiting parent body scenario, we expect new structures to appear on the northwest side of the disk in the coming years.

Solidification kinetics of a near eutectic Al-Si alloy, unmodified and modified with Sr

NASA Astrophysics Data System (ADS)

Aparicio, R.; Barrera, G.; Trapaga, G.; Ramirez-Argaez, M.; Gonzalez-Rivera, C.

2013-07-01

The purpose of this work was to explore the differences in solidification kinetics between unmodified and Sr modified eutectic Al-Si alloy as revealed by Fourier Thermal Analysis (FTA) and grain-growth kinetics characterization. Thermal analysis were performed in cylindrical stainless steel cups coated with a thin layer of boron nitride, using two type-K thermocouples connected to a data acquisition system. Grain growth kinetics characterization was carried out using solid fraction evolution and grain density data. FTA results for the non modified and modified alloys suggest that there are changes in the solidification rate during eutectic nucleation followed, during growth, by similar solidification rate evolutions, suggesting that this parameter is governed principally by the heat extraction conditions. On the other hand the change of the grain growth parameters estimated for the experimental probes suggest that the presence of Sr may modify the relationship between grain growth rate and undercooling in eutectic Al-Si.

Initial stage corrosion of nanocrystalline copper particles and thin films

NASA Astrophysics Data System (ADS)

Tao, Weimin

1997-12-01

Corrosion behavior is an important issue in nanocrystalline materials research and development. A very fine grain size is expected to have significant effects on the corrosion resistance of these novel materials. However, both the macroscopic corrosion properties and the corresponding structure evolution during corrosion have not been fully studied. Under such circumstances, conducting fundamental research in this area is important and necessary. In this study, high purity nanocrystalline and coarse-grained copper were selected as our sample material, sodium nitrite aqueous solution at room temperature and air at a high temperature were employed as corrosive environments. The weight loss testing and electrochemical methods were used to obtain the macroscopic corrosion properties, whereas the high resolution transmission electron microscope was employed for the structure analysis. The weight loss tests indicate that the corrosion rate of nanocrystalline copper is about 5 times higher than that of coarse-grained copper at the initial stage of corrosion. The electrochemical measurements show that the corrosion potential of the nanocrystalline copper has a 230 mV negative shift in comparison with that of the coarse-grained copper. The nanocrystalline copper also exhibits a significantly higher exchange current density than the coarse-grained copper. High resolution TEM revealed that the surface structure changes at the initial stage of corrosion. It was found that the first copper oxide layer formed on the surface of nanocrystalline copper thin film contains a large density of high angle grain boundaries, whereas that formed on the surface of coarse-grained copper shows highly oriented oxide nuclei and appears to show a strong tendency for forming low angle grain boundaries. A correlation between the macroscopic corrosion properties and the structure characteristics is proposed for the nanocrystalline copper based on the concept of the "apparent" exchange current density associated with mass transport of ions in the oxide layer. A hypothesis is developed that the high corrosion rate of the nanocrystalline copper is closely associated with the structure of the copper oxide layer. Therefore, a high "apparent" exchange current density for the nanocrystalline copper is associated with the high angle grain boundary structure in the initial oxide layer. Additional structure analysis was also carried out: (a) High resolution TEM imaging has provided a cross sectional view of the epitaxial interface between nanocrystalline copper and copper (I) oxide and explicitly discloses the presence of interface defects such as misfit dislocations. Based on this observation, a mechanism was proposed to explain the Cu/Cusb2O interface misfit accommodation. This appears to be the first time this interface has been directly examined. (b) A nanocrystalline analogue to a cross-section of Gwathmey's copper single crystal sphere was revealed by high resolution TEM imaging. A partially oxidized nanocrystalline copper particle is used to examine the variation of the Cu/Cusb2O orientation relationship with respect to changes in surface orientation. A new orientation relationship, Cu (011) //Cusb2O (11), ˜ Cu(011)//Cusb2O(111), was found for the oxidation of nanocrystalline copper.

Effect of Thermomechanical Processing on Microstructure, Texture Evolution, and Mechanical Properties of Al-Mg-Si-Cu Alloys with Different Zn Contents

NASA Astrophysics Data System (ADS)

Wang, X. F.; Guo, M. X.; Chen, Y.; Zhu, J.; Zhang, J. S.; Zhuang, L. Z.

2017-07-01

The effect of thermomechanical processing on microstructure, texture evolution, and mechanical properties of Al-Mg-Si-Cu alloys with different Zn contents was studied by mechanical properties, microstructure, and texture characterization in the present study. The results show that thermomechanical processing has a significant influence on the evolution of microstructure and texture and on the final mechanical properties, independently of Zn contents. Compared with the T4P-treated (first preaged at 353 K (80 °C) for 12 hours and then naturally aged for 14 days) sheets with high final cold rolling reduction, the T4P-treated sheets with low final cold rolling reduction possess almost identical strength and elongation and higher average r values. Compared with the intermediate annealed sheets with high final cold rolling reduction, the intermediate annealed sheets with low final cold rolling reduction contain a higher number of particles with a smaller size. After solution treatment, in contrast to the sheets with high final cold rolling reduction, the sheets with low final cold rolling reduction possess finer grain structure and tend to form a weaker recrystallization texture. The recrystallization texture may be affected by particle distribution, grain size, and final cold rolling texture. Finally, the visco-plastic self-consistent (VPSC) model was used to predict r values.

Effect of strain on evolution of dynamic recrystallization in Nb-1 wt%Zr-0.1 wt%C alloy at 1500 and 1600 °C

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

Behera, A.N.

Uniaxial compression tests were carried out on Nb-1 wt%Zr-0.1 wt%C alloy at temperature of 1500 and 1600 °C and strain rate of 0.1 s{sup −1} to study the evolution of dynamic recrystallization with strain. Electron back scatter diffraction was used to quantify the microstructural evolution. Nb-1Zr-0.1C alloy showed a necklace structure at a strain of 0.9 when deformed at 1500 °C and at strain of 0.6 when deformed at 1600 °C, both at strain rate of 0.1 s{sup −1}. This suggested the occurrence of dynamic recrystallization. At 1500 °C and strain of 0.9 the local average misorientation and the grainmore » orientation spread was low confirming the presence of dynamic recrystallization at this deformation condition. At both 1500 and 1600 °C and all measured strains the recrystallized grains had a strong fiber component of <001>. - Highlights: • Necklace formation of dynamically recrystallized grains occurred at strain of 0.6 and 0.9 for 1500 and 1600 °C, respectively. • Equiaxed microstructures were seen with increase in strain for both 1500 and 1600 °C. • At large strains the predominant recrystallized texture evolved to <001> pole.« less

Numerical Simulations of Granular Physics in the Solar System

NASA Astrophysics Data System (ADS)

Ballouz, Ronald

2017-08-01

Granular physics is a sub-discipline of physics that attempts to combine principles that have been developed for both solid-state physics and engineering (such as soil mechanics) with fluid dynamics in order to formulate a coherent theory for the description of granular materials, which are found in both terrestrial (e.g., earthquakes, landslides, and pharmaceuticals) and extra-terrestrial settings (e.g., asteroids surfaces, asteroid interiors, and planetary ring systems). In the case of our solar system, the growth of this sub-discipline has been key in helping to interpret the formation, structure, and evolution of both asteroids and planetary rings. It is difficult to develop a deterministic theory for granular materials due to the fact that granular systems are composed of a large number of elements that interact through a non-linear combination of various forces (mechanical, gravitational, and electrostatic, for example) leading to a high degree of stochasticity. Hence, we study these environments using an N-body code, pkdgrav, that is able to simulate the gravitational, collisional, and cohesive interactions of grains. Using pkdgrav, I have studied the size segregation on asteroid surfaces due to seismic shaking (the Brazil-nut effect), the interaction of the OSIRIS-REx asteroid sample-return mission sampling head, TAGSAM, with the surface of the asteroid Bennu, the collisional disruptions of rubble-pile asteroids, and the formation of structure in Saturn's rings. In all of these scenarios, I have found that the evolution of a granular system depends sensitively on the intrinsic properties of the individual grains (size, shape, sand surface roughness). For example, through our simulations, we have been able to determine relationships between regolith properties and the amount of surface penetration a spacecraft achieves upon landing. Furthermore, we have demonstrated that this relationship also depends on the strength of the local gravity. By comparing our numerical results to laboratory experiments and observations by spacecraft we can begin to understand which microscopic properties (i.e., grain properties) control the macroscopic properties of the system. For example, we can compare the mechanical response of a spacecraft to landing or Cassini observations of Saturn's ring to understand how the penetration depth of a spacecraft or the complex optical depth structure of a ring system depends on the size and surface properties of the grains in those systems.

Surface diffusivity measurements on 8mol.% yttrium oxide-zirconia bicrystals via grain boundary grooving experiments

NASA Astrophysics Data System (ADS)

Nassirou, Maissarath

Thermal grooving at grain boundaries (GBs) is a capillary-driven evolution of surface topography in the region where the grain boundary emerges at a free surface. The study of these topographic changes can provide insight into surface energetics, and in our particular case, the measurement of surface diffusivity. We have measured the surface diffusion coefficient of 8mol% Y 2O3-ZrO2 by studying the formation of thermal grooves. We studied a total of five bicrystals, with well defined orientation relationships; random [110] -60°, random [001] -30°, Sigma13 [001]/{510}, Sigma13 [001]/{320}, Sigma5 [001]/{210}. Our calculations employed the Herring relation (1951), in which the variation in the chemical potential is related to changes in topography. The samples were annealed at 1300°C and 1400°C for various period of time. Atomic Force Microscopy was used to determine the exact geometry of the thermal grooves. A first approach consisted of estimating the diffusion coefficient by using Mullins' equation. yx=0= dsDs1/ 4gb2g s12G 5/4( WkTgs) 1/4t 1/4 Where y(x =0) is the groove depth at the GB triple junction, O is the atomic volume, gs is the surface tension, gb is the grain boundary surface energy, ds is the thickness of the diffusion layer, t is the annealing time, and Ds is the surface diffusion coefficient. In Mullins' derivation, the atomic structure of the surface was ignored and it was assumed that the surface energy is independent of crystallographic orientation. In the case of zirconia, the surface energy is anisotropic. We will describe in this work a new approach to measuring surface diffusivity which accounts for the surface energy anisotropy. The study of these bicrystals will emphasize the effect of grain boundary structure on the surface diffusion coefficient, and it is for that purpose that we selected bicrystals with different tilt axes and angles. The results obtained using the equation set we have developed will be compared to those obtained by Mullins, and we show that the anisotropic groove evolution, even when perfectly symmetrical, is much slower than the corresponding isotropic case.

Information entropy and dark energy evolution

NASA Astrophysics Data System (ADS)

Capozziello, Salvatore; Luongo, Orlando

Here, the information entropy is investigated in the context of early and late cosmology under the hypothesis that distinct phases of universe evolution are entangled between them. The approach is based on the entangled state ansatz, representing a coarse-grained definition of primordial dark temperature associated to an effective entangled energy density. The dark temperature definition comes from assuming either Von Neumann or linear entropy as sources of cosmological thermodynamics. We interpret the involved information entropies by means of probabilities of forming structures during cosmic evolution. Following this recipe, we propose that quantum entropy is simply associated to the thermodynamical entropy and we investigate the consequences of our approach using the adiabatic sound speed. As byproducts, we analyze two phases of universe evolution: the late and early stages. To do so, we first recover that dark energy reduces to a pure cosmological constant, as zero-order entanglement contribution, and second that inflation is well-described by means of an effective potential. In both cases, we infer numerical limits which are compatible with current observations.

The Nonisothermal Stage of Magnetic Star Formation. I. Formulation of the Problem and Method of Solution

NASA Astrophysics Data System (ADS)

Kunz, Matthew W.; Mouschovias, Telemachos Ch.

2009-03-01

We formulate the problem of the formation and subsequent evolution of fragments (or cores) in magnetically supported, self-gravitating molecular clouds in two spatial dimensions. The six-fluid (neutrals, electrons, molecular and atomic ions, positively charged, negatively charged, and neutral grains) physical system is governed by the radiation, nonideal magnetohydrodynamic equations. The magnetic flux is not assumed to be frozen in any of the charged species. Its evolution is determined by a newly derived generalized Ohm's law, which accounts for the contributions of both elastic and inelastic collisions to ambipolar diffusion and Ohmic dissipation. The species abundances are calculated using an extensive chemical-equilibrium network. Both MRN and uniform grain size distributions are considered. The thermal evolution of the protostellar core and its effect on the dynamics are followed by employing the gray flux-limited diffusion approximation. Realistic temperature-dependent grain opacities are used that account for a variety of grain compositions. We have augmented the publicly available Zeus-MP code to take into consideration all these effects and have modified several of its algorithms to improve convergence, accuracy, and efficiency. Results of magnetic star formation simulations that accurately track the evolution of a protostellar fragment from a density sime103 cm-3 to a density sime1015 cm-3, while rigorously accounting for both nonideal MHD processes and radiative transfer, are presented in a separate paper.

Viscous anisotropy of textured olivine aggregates: 2. Micromechanical model

NASA Astrophysics Data System (ADS)

Hansen, Lars N.; Conrad, Clinton P.; Boneh, Yuval; Skemer, Philip; Warren, Jessica M.; Kohlstedt, David L.

2016-10-01

The significant viscous anisotropy that results from crystallographic alignment (texture) of olivine grains in deformed upper mantle rocks strongly influences a large variety of geodynamic processes. Our ability to explore the effects of anisotropic viscosity in simulations of these processes requires a mechanical model that can predict the magnitude of anisotropy and its evolution. Unfortunately, existing models of olivine textural evolution and viscous anisotropy are calibrated for relatively small deformations and simple strain paths, making them less general than desired for many large-scale geodynamic scenarios. Here we develop a new set of micromechanical models to describe the mechanical behavior and textural evolution of olivine through a large range of strains and complex strain histories. For the mechanical behavior, we explore two extreme scenarios, one in which each grain experiences the same stress tensor (Sachs model) and one in which each grain undergoes a strain rate as close as possible to the macroscopic strain rate (pseudo-Taylor model). For the textural evolution, we develop a new model in which the director method is used to control the rate of grain rotation and the available slip systems in olivine are used to control the axis of rotation. Only recently has enough laboratory data on the deformation of olivine become available to calibrate these models. We use these new data to conduct inversions for the best parameters to characterize both the mechanical and textural evolution models. These inversions demonstrate that the calibrated pseudo-Taylor model best reproduces the mechanical observations. Additionally, the pseudo-Taylor textural evolution model can reasonably reproduce the observed texture strength, shape, and orientation after large and complex deformations. A quantitative comparison between our calibrated models and previously published models reveals that our new models excel in predicting the magnitude of viscous anisotropy and the details of the textural evolution. In addition, we demonstrate that the mechanical and textural evolution models can be coupled and used to reproduce mechanical evolution during large-strain torsion tests. This set of models therefore provides a new geodynamic tool for incorporating viscous anisotropy into large-scale numerical simulations.

Effect of Microstructure on the Mechanical Properties of Extruded Magnesium and a Magnesium Alloy

NASA Astrophysics Data System (ADS)

McGhee, Paul

The main objective of this research was to investigate the relationship between the fatigue behavior and crystallographic texture evolution of magnesium (Mg) alloys with a range of microalloying element content processed under various extrusion conditions. Several Mg alloys were processed under a range of extrusion temperatures, extrusion ratios, and alloying content and tested under monotonic and cyclic fatigue loading conditions: fully-reversed condition tested at strain amplitudes of 0.15% - 1.00% in strain-control mode. After fatigue testing, Mg microstructural analysis was performed using SEM, TEM, optical microscopy, and X-ray diffraction techniques. Microstructural observations revealed significant grain refinement through a combination of zirconium (Zr) addition and hot-extrusion, producing fine equiaxed grain structure with grain sizes ranging between 1-5 microm. Texture analysis and partial compression testing results showed that the initial texture of the extruded alloy gradually evolved upon compressive loading along the c-axes inducing extension twinning creating a strong basal texture along the extrusion direction. Full tensile and compression testing at room temperature showed that the combination of hot extrusion and Zr addition can further refine the grains of the Mg alloys microstructure and enhance the texture while simultaneously enhancing the mechanical properties.

Crystal plasticity simulation of Zirconium tube rolling using multi-grain representative volume element

NASA Astrophysics Data System (ADS)

Isaenkova, Margarita; Perlovich, Yuriy; Zhuk, Dmitry; Krymskaya, Olga

2017-10-01

The rolling of Zirconium tube is studied by means of the crystal plasticity viscoplastic self-consistent (VPSC) constitutive modeling. This modeling performed by a dislocation-based constitutive model and a spectral solver using open-source simulation of DAMASK kit. The multi-grain representative volume elements with periodic boundary conditions are used to predict the texture evolution and distributions of strain and stresses. Two models for randomly textured and partially rolled material are deformed to 30% reduction in tube wall thickness and 7% reduction in tube diameter. The resulting shapes of the models are shown and distributions of strain are plotted. Also, evolution of grain's shape during deformation is shown.

Formation and evolution of platelet-like Ti-rich precipitates in the V–4Cr–4Ti alloy

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

Zhu, Boling; Yang, Shanwu, E-mail: yangsw@mater.ustb.edu.cn; Zhang, Mengqi

The goal of the present investigation is to explain the obviously different appearances of Ti-rich precipitates in vanadium alloy and in steels. To achieve the goal, the formation and evolution of the precipitates in the as-cast and the heat treated V–4Cr–4Ti samples were investigated using optical and electron microscopies. The precipitates were found to be rare in the as-cast samples, and a high density of the precipitates occur in the samples subjected to isothermal holding at 600–1300 °C. The precipitates preferentially distribute within the grains rather than at the grain boundaries. All of the precipitates are platelet-like, with NaCl structure,more » in three-dimensional space. The further observation using high-resolution electron microscopy (HREM) reveals that a high density of twins occurs in the growth front of the precipitates, whereas the middle of the precipitates is twin-free. Meanwhile, enrichment of titanium atoms was observed in the middle of the precipitates. These results indicate that the precipitates form by a displacive transformation, followed by a diffusional process to enrich titanium further and eliminate the twined structure. - Highlights: • Precipitates in the V–4Cr–4Ti alloy are Ti-(CN) with NaCl structure. • The Ti-rich precipitates are platelet-like in three dimensional space. • Twins occur in both ends of the precipitates and the midst of these is twin-free. • Twinning and its elimination is explained by displacive followed by diffusion.« less

Boundaries of intergrowths between mineral individuals: A zone of secondary mineral formation in aggregates

NASA Astrophysics Data System (ADS)

Brodskaya, R. L.; Bil'Skaya, I. V.; Lyakhnitskaya, V. D.; Markovsky, B. A.; Sidorov, E. G.

2007-12-01

Intergrowth boundaries between mineral individuals in dunite of the Gal’moenan massif in Koryakia was studied in terms of crystal morphology, crystal optics, and ontogenesis. The results obtained allowed us to trace the staged formation of olivine and chromite and four generations of these minerals. Micro-and nanotopography of boundary surfaces between intergrown mineral individuals of different generations was examined with optic, electron, and atomic force microscopes. The boundaries between mineral individuals of different generations are distinguished by their microsculpture for both olivine and chromite grains. Both minerals demonstrate a compositional trend toward refinement from older to younger generations. The decrease in the iron mole fraction in olivine and chromite is accompanied by the crystallization of magnetite along weakened zones in olivine of the first generation and as outer rims around the chromite grains of the second generation observable under optic and electronic microscopes. The subsequent refinement of chromite results in the release of PGE from its lattice, as established by atomic power microscopy. The newly formed PGM are localized at the boundaries between mineral individuals and, thus, mark a special stage in the ontogenetic evolution of mineral aggregates. Further recrystallization is expressed in the spatial redistribution of grain boundaries and the formation of monomineralic intergrowth boundaries, i.e., the glomerogranular structure of rock and substructures of PGM, chromite, and olivine grains as intermediate types of organization of the granular assemblies in the form of reticulate, chain, and cellular structures and substructures of aggregates.

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

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

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

Effect of deformation induced nucleation and phase mixing, a two phase model for the ductile deformation of rocks.

NASA Astrophysics Data System (ADS)

Bevillard, Benoit; Richard, Guillaume; Raimbourg, Hugues

2017-04-01

Rocks are complex materials and particularly their rheological behavior under geological stresses remains a long-standing question in geodynamics. To test large scale lithosphere dynamics numerical modeling is the main tool but encounter substantial difficulties to account for this complexity. One major unknown is the origin and development of the localization of deformation. This localization is observed within a large range of scales and is commonly characterized by sharp grain size reduction. These considerations argues for a control of the microscopical scale over the largest ones through one predominant variable: the mean grain-size. However, the presence of second phase and broad grain-size distribution may also have a important impact on this phenomenon. To address this question, we built a model for ductile rocks deformation based on the two-phase damage theory of Bercovici & Ricard 2012. We aim to investigate the role of grain-size reduction but also phase mixing on strain localization. Instead of considering a Zener-pining effect on damage evolution, we propose to take into account the effect of the grain-boundary sliding (GBS)-induced nucleation mechanism which is better supported by experimental or natural observations (Precigout et al 2016). This continuum theory allows to represent a two mineral phases aggregate with explicit log-normal grain-size distribution as a reasonable approximation for polymineralic rocks. Quantifying microscopical variables using a statistical approach may allow for calibration at small (experimental) scale. The general set of evolutions equations remains up-scalable provided some conditions on the homogenization scale. Using the interface density as a measure of mixture quality, we assume unlike Bercovici & Ricard 2012 that it may depend for some part on grain-size . The grain-size independent part of it is being represented by a "contact fraction" variable, whose evolution may be constrained by the dominant deformation mechanism. To derive the related evolution equations and account for the interdependence of thermodynamic state variables, we use Onsager's thermodynamic extremum principle. Eventually, we solve for our set of equations using an Anorthite/Pyroxene gabbroic composition. The results are used to discuss the interaction between grain-size reduction and phase mixing on strain localization on several simple cases. Bercovici D, Ricard Y (2012) Mechanisms for the generation of plate tectonics by two phase grain damage and pinning. Physics of the Earth and Planetary Interiors 202-203:27-55 Precigout J, Stunitz H (2016) Evidence of phase nucleation during olivine diffusion creep: A new perspective for mantle strain localisation. Earth and Planetary Science Letters 405:94-105

Loess deposits since early Pleistocene in northeast China and implications for desert evolution in east China

NASA Astrophysics Data System (ADS)

Sun, Miao; Zhang, Xujiao; Tian, Mingzhong; Liu, Ru; He, Zexin; Qi, Lin; Qiao, Yansong

2018-04-01

Loess deposits and deserts are regarded as coupled geological systems and loess deposits on the periphery of deserts can often be used to reconstruct desert evolution. Previous studies of desert evolution in Asia are mainly concentrated in northwest China and the China Loess Plateau, and little is known about long-term desert evolution in east China. In this study, we selected the Sishijiazi loess section in the Chifeng area in northeast China to study the long-term evolution of the desert in east China. A high-resolution magnetostratigraphy combined with optically stimulated luminescence dating indicated that the age of the section base is approximately 1.02 Ma. The Brunhes-Matuyama boundary is at the depth of 39.8 m in loess unit L8, and the upper boundary of the Jaramillo Subchron is at the depth of 60.8 m in paleosol S10. The results of grain-size analysis indicate a coarsening grain-size trend in the past 1.0 Ma. In addition, based on grain-size variations, the desert evolution in east China since ∼1.0 Ma can be divided into three stages: stability from 1.0 to 0.8 Ma, desert recession from 0.8 to 0.5 Ma, and gradual expansion since 0.5 Ma. Our results further indicate that the evolution of desert in east China was mainly controlled by changes in global ice volume, and that the uplift of the Tibetan Plateau may have had an additional effect.

Accuracy in strategy imitations promotes the evolution of fairness in the spatial ultimatum game

NASA Astrophysics Data System (ADS)

Szolnoki, Attila; Perc, Matjaž; Szabó, György

2012-10-01

Spatial structure has a profound effect on the outcome of evolutionary games. In the ultimatum game, it leads to the dominance of much fairer players than those predicted to evolve in well-mixed settings. Here we show that spatiality leads to fair ultimatums only if the intervals from which the players are able to choose how much to offer and how little to accept are sufficiently fine-grained. Small sets of discrete strategies lead to the stable coexistence of the two most rational strategies in the set, while larger sets lead to the dominance of a single yet not necessarily the fairest strategy. The fairest outcome is obtained for the most accurate strategy imitation, that is in the limit of a continuous strategy set. Having a multitude of choices is thus crucial for the evolution of fairness, but not necessary for the evolution of empathy.

Nanostructural Evolution of Hard Turning Layers in Carburized Steel

NASA Astrophysics Data System (ADS)

Bedekar, Vikram

The mechanisms of failure for components subjected to contact fatigue are sensitive to the structure and properties of the material surface. Although, the bulk material properties are determined by the steel making, forming and the heat treatment; the near surface material properties are altered during final material removal processes such as hard turning or grinding. Therefore, the ability to optimize, modulate and predict the near surface properties during final metal removal operations would be extremely useful in the enhancement of service life of a component. Hard machining is known to induce severely deformed layers causing dramatic microstructural transformations. These transformations occur via grain refinement or thermal phenomena depending upon cutting conditions. The aim of this work is to engineer the near surface nanoscale structure and properties during hard turning by altering strain, strain rate, temperature and incoming microstructure. The near surface material transformations due to hard turning were studied on carburized SAE 8620 bearing steel. Variations in parent material microstructures were introduced by altering the retained austenite content. The strain, strain rate and temperature achieved during final metal cutting were altered by varying insert geometry, insert wear and cutting speed. The subsurface evolution was quantified by a series of advanced characterization techniques such as transmission electron microscopy (TEM), glancing angle X-ray diffraction (GAXRD), X-ray stress evaluation and nanoindentation which were coupled with numerical modeling. Results showed that the grain size of the nanocrystalline near surface microstructure can be effectively controlled by altering the insert geometry, insert wear, cutting speed and the incoming microstructure. It was also evident that the near surface retained austenite decreased at lower cutting speed indicating transformation due to plastic deformation, while it increased at higher cutting speed indicated thermal transformation. Nanoindentation tests showed that the substructures produced by plastic deformation follow the Hall-Petch relationship while the structures produced by thermal transformation did not. This indicated a change in the hardness driver from dislocation hardening to phase transformation, both of which have a significant impact on fatigue life. Using hardness based flow stress numerical model, these relationships between the processing conditions and structural parameters were further explored. Results indicated that the hard turning process design space can be partitioned into three regions based on thermal phase transformations, plastic grain refinement, and a third regime where both mechanisms are active. It was found that the Zener-Holloman parameter can not only be used to predict post-turning grain size but also to partition the process space into regions of dominant microstructural mechanisms.

Influence of grain size and texture prior to warm rolling on microstructure, texture and magnetic properties of Fe-6.5 wt% Si steel

NASA Astrophysics Data System (ADS)

Xu, H. J.; Xu, Y. B.; Jiao, H. T.; Cheng, S. F.; Misra, R. D. K.; Li, J. P.

2018-05-01

Fe-6.5 wt% Si steel hot bands with different initial grain size and texture were obtained through different annealing treatment. These bands were then warm rolled and annealed. An analysis on the evolution of microstructure and texture, particularly the formation of recrystallization texture was studied. The results indicated that initial grain size and texture had a significant effect on texture evolution and magnetic properties. Large initial grains led to coarse deformed grains with dense and long shear bands after warm rolling. Such long shear bands resulted in growth advantage for {1 1 3} 〈3 6 1〉 oriented grains during recrystallization. On the other hand, sharp {11 h} 〈1, 2, 1/h〉 (α∗-fiber) texture in the coarse-grained sample led to dominant {1 1 2} 〈1 1 0〉 texture after warm rolling. Such {1 1 2} 〈1 1 0〉 deformed grains provided massive nucleation sites for {1 1 3} 〈3 6 1〉 oriented grains during subsequent recrystallization. These {1 1 3} 〈3 6 1〉 grains were confirmed to exhibit an advantage on grain growth compared to γ-fiber grains. As a result, significant {1 1 3} 〈3 6 1〉 texture was developed and unfavorable γ-fiber texture was inhibited in the final annealed sheet. Both these aspects led to superior magnetic properties in the sample with largest initial grain size. The magnetic induction B8 was 1.36 T and the high frequency core loss P10/400 was 17.07 W/kg.

Hierarchically-Clustered Structures: Formation During Colloidal Processing and Evolution During Sintering

DTIC Science & Technology

1990-12-04

18) E. Carnal and A Mocellin , " A Topological Model for Plane Sections of Polycrystals," Submitted to Acta. Metal.. 19) S. Fakuda, R. Kikuchi, and I...obtained from his CCD and the perimeter law matched the GSD generated by the Exxon group. Mocellin and his coworkers in Switzerland 32,33 (the Swiss...cellular networks," Phil. Mag B52(3), 795 (1985). 32). M. Blanc, A. Mocellin , "Grain coordination in plane sections of polycrystals," Acta Metall. 27

Progressive Assessment on the Decomposition Reaction of Na Superionic Conducting Ceramics.

PubMed

Jung, Jae-Il; Kim, Daekyeom; Kim, Hyojin; Jo, Yong Nam; Park, Jung Sik; Kim, Youngsik

2017-01-11

The successful analysis on the microstructure of Hong-type Na superionic conducting (NASICON) ceramics revealed that it consists of several heterogeneous phases: NASICON grains with rectangular shapes, monoclinic round ZrO 2 particles, grain boundaries, a SiO 2 -rich vitrified phase, Na-rich amorphous particles, and pores. A dramatic microstructural evolution of NASICON ceramics was demonstrated via an in situ analysis, which showed that NASICON grains sequentially lost their original morphology and were transformed into comminuted particles (as indicated by the immersion of bulk NASICON samples into seawater at a temperature of 80 °C). The consecutive X-ray diffraction analysis represented that the significant shear stress inside NASICON ceramics caused their structural decomposition, during which H 3 O + ions occupied ceramic Na + sites (predominantly along the (1̅11) and (1̅33) planes), while the original Na + cations came out in the (020) plane of the NASICON ceramic crystalline structure. The results of time-of-flight secondary-ion mass spectrometry analysis confirmed that large concentrations of Cl - and Na + ions were distributed across the surface of NASICON ceramics, leading to local densification of a 20 μm thick surface layer after treatment within seawater solution at a temperature of 80 °C.

Soft X-Ray Irradiation of Silicates: Implications for Dust Evolution in Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Ciaravella, A.; Cecchi-Pestellini, C.; Chen, Y.-J.; Muñoz Caro, G. M.; Huang, C.-H.; Jiménez-Escobar, A.; Venezia, A. M.

2016-09-01

The processing of energetic photons on bare silicate grains was simulated experimentally on silicate films submitted to soft X-rays of energies up to 1.25 keV. The silicate material was prepared by means of a microwave assisted sol-gel technique. Its chemical composition reflects the Mg2SiO4 stoichiometry with residual impurities due to the synthesis method. The experiments were performed using the spherical grating monochromator beamline at the National Synchrotron Radiation Research Center in Taiwan. We found that soft X-ray irradiation induces structural changes that can be interpreted as an amorphization of the processed silicate material. The present results may have relevant implications in the evolution of silicate materials in X-ray-irradiated protoplanetary disks.

Evolution of Pre-Main Sequence Accretion Disks

NASA Technical Reports Server (NTRS)

Hartmann, Lee W.

2002-01-01

The aim of this project is to develop a comprehensive global picture of the physical conditions in, and evolutionary timescales of, pre-main sequence accretion disks. The results of this work will help constrain the initial conditions for planet formation. To this end we plan to: (1) Develop much larger samples of 3-10 Myr-old stars to provide better empirical constraints on protoplanetary disk evolution; (2) Study the dusty emission and accretion rates in these systems, with ages closer to the expected epoch of (giant) planet formation at 3-10 Myr; and (3) Develop detailed model disk structures consistent with observations to infer physical conditions in protoplanetary disks and to constrain possible grain growth as the first stage of planetesimal formation.

An electron back-scattered diffraction study on the microstructure evolution of severely deformed aluminum AI6061 alloy

NASA Astrophysics Data System (ADS)

Vaseghi, M.; Karimi Taheri, A.; Kim, H. S.

2014-08-01

In this paper dynamic strain ageing behavior in an Al-Mg-Si alloy related to equal channel angular pressing (ECAP) was investigated. In order to examine the combined plastic deformation and ageing effects on microstructure evolutions and strengthening characteristics, the Al6061 alloy were subjected to phi=90° ECAP die for up to 4 passes via route Bc at high temperatures. For investigating the effects of ageing temperature and strain rate in ECAP, Vickers hardness tests were performed. The combination of the ECAP process with dynamic ageing at higher temperatures resulted in a significant increase in hardness. The microstructural evolution of the samples was studied using electron back-scattering diffraction (EBSD). The grains of Al6061 aluminum alloy were refined significantly at 100 and 150 °C with greater pass numbers and the distributions of grain size tended to be more uniform with pass number increasing. Frequency of sub-boundaries and low angle grain boundaries (LAGBs) increased at initial stage of deformation, and sub-boundaries and LAGBs evolved into highangle grain boundaries (HAGBs) with further deformation, which resulted in the high frequency of HAGBs in the alloy after ECAP 4 passes.

Modeling ductile metals under large strain, pressure and high strain rate incorporating damage and microstructure evolution

NASA Astrophysics Data System (ADS)

Iannitti, Gianluca; Bonora, Nicola; Ruggiero, Andrew; Dichiaro, Simone

2012-03-01

In this work, a constitutive modeling that couples plasticity, grain size evolution (due to plastic deformation and dynamic recrystallization) and ductile damage has been developed. The effect of grain size on the material yield stress (Hall-Petch) and on the melting temperature has been considered. The model has been used to investigate computationally the behavior of high purity copper in dynamic tensile extrusion test (DTE). An extensive numerical simulation work, using implicit finite element code with direct integration, has been performed and the results have been compared with available experimental data. The major finding is that the proposed model is capable to predict most of the observed features such as the increase of material ductility with the decreasing average grain size, the overall number and size of fragments and the average grain size distribution in the fragment trapped into the dime.

Modeling ductile metals under large strain, pressure and high strain rates incorporating damage and microstructure evolution

NASA Astrophysics Data System (ADS)

Iannitti, Gianluca; Bonora, Nicola; Ruggiero, Andrew; Dichiaro, Simone

2011-06-01

In this work, a constitutive modeling that couples plasticity, grain size evolution (due to plastic deformation and dynamic recrystallization) and ductile damage has been developed. The effect of grain size on the material yield stress (Hall-Petch) and on the melting temperature has been considered. The model has been used to investigate computationally the behaviour of high purity copper in dynamic tensile extrusion test (DTE). An extensive numerical simulation work, using implicit finite element code with direct integration, has been performed and the results have been compared with available experimental data. The major finding is that the proposed model is capable to predict most of the observed features such as the increase of material ductility with the decreasing average grain size, the overall number and size of fragments and the average grain size distribution in the fragment trapped into the dime.

Using Antifreeze Proteins to understand ice microstructure evolution

NASA Astrophysics Data System (ADS)

Bayer-Giraldi, Maddalena; Azuma, Nobuhiko; Takata, Morimasa; Weikusat, Christian; Kondo, Hidemasa; Kipfstuhl, Sepp

2017-04-01

Polar ice sheets are considered a unique climate archive. The chemical analysis of its impurities and the development of its microstructure with depth give insight in past climate conditions as well as in the development of the ice sheet with time and deformation. Microstructural patterns like small grain size observed in specific depths are thought to be linked to the retarding effect of impurities on ice grain growth. Clear evidence of size or chemical composition of the impurities causing this effect is missing, but in this context a major role of nanoparticles has been suggested. In order to shed light on different mechanisms by which nanoparticles can control microstructure development we used antifreeze proteins (AFPs) as proxies for particles in ice. These proteins are small nanoparticles, approx. 5 nm in size, with the special characteristics of firmly binding to ice through several hydrogen bonds. We used AFPs from the sea-ice microalgae Fragilariopsis cylindrus (fcAFPs) in bubble-free, small-grained polycrystalline ice obtained by the phase-transition size refinement method. We explain how fcAFP bind to ice by presenting the 3-D-protein structure model inferred by X-ray structure analysis, and show the importance of the chemical interaction between particles and ice in controlling normal grain growth, comparing fcAFPs to other protein nanoparticles. We used modifications of fcAFPs for particle localization through fluorescence spectroscopy. Furthermore, the effect of fcAFPs on the driving factors for ice deformation during creep, i.e. on internal dislocations due to incorporation within the lattice and on the mobility of grain boundaries due to pinning, makes these proteins particularly interesting in studying the process of ice deformation.

Microstructure Characterization Of Lead-Free Solders Depending On Alloy Composition

NASA Astrophysics Data System (ADS)

Panchenko, Iuliana; Mueller, Maik; Wolter, Klaus-Juergen

2010-11-01

Fatigue and crack nucleation in solder joints is basically associated with changes in the microstructure. Therefore the microstructure evolution of SnAgCu solder joints during solidification and subsequent application is an important subject for reliability investigations and physics of failure analysis. The scope of this study is a systematic overview of the as-cast microstructures in small sized lead-free SnAgCu solder spheres after solidification. A total of 32 alloy compositions have been investigated with varying Ag content from 0 to 5 wt.% and varying Cu content from 0 to 1.2 wt.%. The solder spheres had a diameter of approx. 270 μm and were all manufactured under the similar conditions. Subsequent cross-sectioning was carried out in order to analyze the microstructure by optical and electron microscopy as well as Electron Backscatter Diffraction and Energy Dispersive X-ray Spectroscopy. The results allow a comprehensive overview of the dependence of the as-cast microstructure on the solder composition. It is shown that strong changes in microstructure can be caused by small changes in solder composition. In addition, a solidification phenomenon known as cyclic twinning has been found in the samples. Three different microstructures related to that phenomenon will be presented and detailed characterizations of these structures are given in this study. These microstructures differ in their appearance by solidification morphology, phase distribution as well as grain structure and can be described as follows: 1. large dentritic areas of different grain orientations which are characterized by approx. 60° twin boundaries; 2. areas of small β-Sn cells with approx. 60° twin relation and larger intermetallic precipitates; 3. large grains consisting of a β-Sn matrix with very fine intermetallic precipitates and high angle grain boundaries between adjacent grains.

Evolution of Grain Boundary Precipitates in an Al-Cu-Li Alloy During Aging

NASA Astrophysics Data System (ADS)

Ott, Noémie; Kairy, Shravan K.; Yan, Yuanming; Birbilis, Nick

2017-01-01

The grain boundary microstructure of Al-Cu-Li alloy AA2050 was investigated for different isothermal aging times to rationalize intergranular corrosion (IGC) characteristics. In the underaged condition, the dominant grain boundary precipitates are fine T1 (Al2CuLi). Extended aging revealed that grain boundaries were decorated by large T1 precipitates and S' phase (Al2CuMg), with S' growth not dimensionally constrained. Such a transition in the precipitate type at grain boundaries is a unique feature of the Al-Cu-Li system.

Molecular features of grass allergens and development of biotechnological approaches for allergy prevention.

PubMed

Devis, Deborah L; Davies, Janet M; Zhang, Dabing

2017-09-01

Allergic diseases are characterized by elevated allergen-specific IgE and excessive inflammatory cell responses. Among the reported plant allergens, grass pollen and grain allergens, derived from agriculturally important members of the Poaceae family such as rice, wheat and barley, are the most dominant and difficult to prevent. Although many allergen homologs have been predicted from species such as wheat and timothy grass, fundamental aspects such as the evolution and function of plant pollen allergens remain largely unclear. With the development of genetic engineering and genomics, more primary sequences, functions and structures of plant allergens have been uncovered, and molecular component-based allergen-specific immunotherapies are being developed. In this review, we aim to provide an update on (i) the distribution and importance of pollen and grain allergens of the Poaceae family, (ii) the origin and evolution, and functional aspects of plant pollen allergens, (iii) developments of allergen-specific immunotherapy for pollen allergy using biotechnology and (iv) development of less allergenic plants using gene engineering techniques. We also discuss future trends in revealing fundamental aspects of grass pollen allergens and possible biotechnological approaches to reduce the amount of pollen allergens in grasses. Copyright © 2017. Published by Elsevier Inc.

Influence of overconsolidated condition on permeability evolution in silica sand

NASA Astrophysics Data System (ADS)

Kimura, S.; Kaneko, H.; Ito, T.; Nishimura, O.; Minagawa, H.

2013-12-01

Permeability of sediments is important factors for production of natural gas from natural gas hydrate bearing layers. Methane-hydrate is regarded as one of the potential resources of natural gas. As results of coring and logging, the existence of a large amount of methane-hydrate is estimated in the Nankai Trough, offshore central Japan, where many folds and faults have been observed. In the present study, we investigate the permeability of silica sand specimen forming the artificial fault zone after large displacement shear in the ring-shear test under two different normal consolidated and overconsolidated conditions. The significant influence of overconsolidation ratio (OCR) on permeability evolution is not found. The permeability reduction is influenced a great deal by the magnitude of normal stress during large displacement shearing. The grain size distribution and structure observation in the shear zone of specimen after shearing at each normal stress level are analyzed by laser scattering type particle analyzer and scanning electron microscope, respectively. It is indicated that the grain size and porosity reduction due to the particle crushing are the factor of the permeability reduction. This study is financially supported by METI and Research Consortium for Methane Hydrate Resources in Japan (the MH21 Research Consortium).

Peculiar Features of Microstructure Formation and Microhardness Variations During Torsional Straining of Tantalum Specimens in Bridgman Anvils

NASA Astrophysics Data System (ADS)

Ditenberg, I. A.; Tymentsev, A. N.; Korznikov, A. V.

2015-04-01

Using the method of transmission electron microscopy, peculiar features of evolution of microstructure and variations in microhardness of Та are investigated under torsional loading in the Bridgman anvil as a function of plastic deformation at room temperature. A quantitative examination of grain and defect's structure of the material under study and the values of local internal stresses is performed in different loading stages. The mechanisms of formation of submicrocrystalline and nanostructured states are analyzed and so is the microstructure variation as a function of the defect-structure characteristics, strain level, and spacing from the axis of torsion.

The microstructure and microhardness of friction stir welded dissimilar copper/Al-5% Mg alloys

NASA Astrophysics Data System (ADS)

Kalashnikova, T. A.; Shvedov, M. A.; Vasilyev, P. A.

2017-12-01

A friction stir welded joint between copper and aluminum alloy has been investigated and characterized for the microstructure and microhardness number distribution. The microstructural evolution of the joint is studied using optical microscopy and microhardness. The mechanical characteristics in structural zones of FSW joints are determined by Vickers microhardness measurements. Samples were cut across the cross section. It is shown that intermetallic Cu/Al particles are formed at interfaces. The intermetallics microhardness in the dissimilar aluminum/cooper FSW joint differs from that of the joint produced by fusion welding. The grain structures obtained in different dissimilar joint zones are examined.

No firewalls in quantum gravity: the role of discreteness of quantum geometry in resolving the information loss paradox

NASA Astrophysics Data System (ADS)

Perez, Alejandro

2015-04-01

In an approach to quantum gravity where space-time arises from coarse graining of fundamentally discrete structures, black hole formation and subsequent evaporation can be described by a unitary evolution without the problems encountered by the standard remnant scenario or the schemes where information is assumed to come out with the radiation during evaporation (firewalls and complementarity). The final state is purified by correlations with the fundamental pre-geometric structures (in the sense of Wheeler), which are available in such approaches, and, like defects in the underlying space-time weave, can carry zero energy.

Re-evaluation of the origin and evolution of > 4.2 Ga zircons from the Jack Hills metasedimentary rocks

NASA Astrophysics Data System (ADS)

Nemchin, A. A.; Pidgeon, R. T.; Whitehouse, M. J.

2006-04-01

New data are presented on internal structures, U-Pb systematics and oxygen isotope compositions of eight detrital zircons with ages greater than 4.2 Ga, from the Jack Hills metasedimentary belt, Australia. Cathodoluminescence imaging, ion-microprobe U-Pb and oxygen isotope results show evidence for an extensive period of complex zircon growth, secondary reaction and U-Pb isotopic disturbance from 4.36 to 3.90 Ga. In addition many of the zircons have discordant U-Pb systems and excess common Pb indicating a superimposed, relatively recent, reaction between radiation damaged zircon and low temperature fluids. The significance of oxygen isotope compositions for zircons with complex internal structures and U-Pb systems is complicated by uncertainty in the origin of the grains and the unknown effect of later reactions. However, a minority of grains with sharp oscillatory zoning, uniform and concordant U-Pb systems, igneous Th-U ratios and low common Pb contents, are interpreted as undisturbed primary magmatic zircons. The oldest identified, oscillatory zoned, magmatic grain, with an age 4363 ± 20 Ma, is one of a few reported magmatic grains with this age, which is interpreted as the oldest reliable age for Hadean magmatic zircons. Mantle δ18O values are reported for these zircons. Younger oscillatory zoned zircon, including oscillatory zoned cores in complex grains, have δ18O values lower than 6.5‰, which are within the range of ion microprobe analysed δ18O values for zircons in high temperature equilibrium with the normal mantle rocks of 5.3 ± 0.6‰ (2 standard deviations). These values are also within the range of δ18O values found in lunar zircons. The absence of heavy oxygen in the grains that can be interpreted as primary magmatic zircons and the complex history over the period from 4.36 to 3.9 Ga, seen in all other Jack Hills zircons and reflected in the internal structures and U-Pb isotopic systems, questions the model for the early Earth involving long intervals of relatively temperate conditions from 4.4 to 4.0 Ga that were conducive to oceans and possibly life.

Evolution of complex organic molecules in hot molecular cores. Synthetic spectra at (sub-)mm wavebands

NASA Astrophysics Data System (ADS)

Choudhury, R.; Schilke, P.; Stéphan, G.; Bergin, E.; Möller, T.; Schmiedeke, A.; Zernickel, A.

2015-03-01

Context. Hot molecular cores (HMCs) are intermediate stages of high-mass star formation and are also known for their rich chemical reservoirs and emission line spectra at (sub-)mm wavebands. Complex organic molecules (COMs) such as methanol (CH3OH), ethanol (C2H5OH), dimethyl ether (CH3OCH3), and methyl formate (HCOOCH3) produce most of these observed lines. The observed spectral feature of HMCs such as total number of emission lines and associated line intensities are also found to vary with evolutionary stages. Aims: We aim to investigate the spectral evolution of these COMs to explore the initial evolutionary stages of high-mass star formation including HMCs. Methods: We developed various 3D models for HMCs guided by the evolutionary scenarios proposed by recent empirical and modeling studies. We then investigated the spatio-temporal variation of temperature and molecular abundances in HMCs by consistently coupling gas-grain chemical evolution with radiative transfer calculations. We explored the effects of varying physical conditions on molecular abundances including density distribution and luminosity evolution of the central protostar(s) among other parameters. Finally, we simulated the synthetic spectra for these models at different evolutionary timescales to compare with observations. Results: Temperature has a profound effect on the formation of COMs through the depletion and diffusion on grain surface to desorption and further gas-phase processing. The time-dependent temperature structure of the hot core models provides a realistic framework for investigating the spatial variation of ice mantle evaporation as a function of evolutionary timescales. We find that a slightly higher value (15 K) than the canonical dark cloud temperature (10 K) provides a more productive environment for COM formation on grain surface. With increasing protostellar luminosity, the water ice evaporation font (~100 K) expands and the spatial distribution of gas phase abundances of these COMs also spreads out. We calculated the temporal variation of the radial profiles of these COMs for different hot core models. These profiles resemble the so-called jump profiles with relative abundances higher than 10-9 within the evaporation font will furthermore be useful to model the observed spectra of hot cores. We present the simulated spectra of these COMs for different hot core models at various evolutionary timescales. A qualitative comparison of the simulated and observed spectra suggests that these self-consistent hot core models can reproduce the notable trends in hot core spectral variation within the typical hot core timescales of 105 year. These models predict that the spatial distribution of various emission line maps will also expand with evolutionary time; this feature can be used to constrain the relative desorption energies of the molecules that mainly form on the grain surface and return to the gas phase via thermal desorption. The detailed modeling of the thermal structure of hot cores with similar masses along with the characterization of the desorption energies of different molecules can be used to constrain the luminosity evolution of the central protostars. The model predictions can be compared with high resolution observation that can probe scales of a few thousand AU in high-mass star forming regions such as from Atacama Large Millimeter/submillimeter Array (ALMA). We used a spectral fitting method to analyze the simulated spectra and find that it significantly underestimates some of the physical parameters such as temperature. The coupling of chemical evolution with radiative transfer models will be particularly useful to decipher the physical structure of hot cores and also to constrain the initial evolutionary stages of high-mass star formation. Appendices are available in electronic form at http://www.aanda.org

Microstructural evolution and micromechanical properties of gamma-irradiated Au ball bonds

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

Yusoff, Wan Yusmawati Wan, E-mail: yusmawati@upnm.edu.my; Ismail, Roslina, E-mail: roslina.ismail@ukm.my; Jalar, Azman, E-mail: azmn@ukm.my

2014-07-01

The effect of gamma radiation on the mechanical and structural properties of gold ball bonds was investigated. Gold wires from thermosonic wire bonding were exposed to gamma rays from a Cobalt-60 source at a low dose (5 Gy). The load–depth curve of nanoindentation for the irradiated gold wire bond has an apparent staircase shape during loading compared to the as-received sample. The hardness of the specimens calculated from the nanoindentation shows an increase in value from 0.91 to 1.09 GPa for specimens after exposure. The reduced elastic modulus for irradiated specimens significantly increased as well, with values from 75.18 tomore » 98.55 GPa. The change in intrinsic properties due to gamma radiation was investigated using dual-focused ion beam and high-resolution transmission electron microscope analysis. The dual-focused ion beam and high-resolution transmission electron microscope images confirmed the changes in grain structure and the presence of dislocations. The scanning electron microscope micrographs of focused ion beam cross sections showed that the grain structure of the gold became elongated and smaller after exposure to gamma rays. Meanwhile, high-resolution transmission electron microscopy provided evidence that gamma radiation induced dislocation of the atomic arrangement. - Highlights: • Nanoindentation technique provides a detailed characterisation of Au ball bond. • P–h curve of irradiated Au ball bond shows an apparent pop-in event. • Hardness and reduced modulus increased after exposure. • Elongated and smaller grain structure in irradiated specimens • Prevalent presence of dislocations in the atomic arrangement.« less

Strength properties and structure of a submicrocrystalline Al-Mg-Mn alloy under shock compression

NASA Astrophysics Data System (ADS)

Petrova, A. N.; Brodova, I. G.; Razorenov, S. V.

2017-06-01

The results of studying the strength of a submicrocrystalline aluminum A5083 alloy (chemical composition was 4.4Mg-0.6Mn-0.11Si-0.23Fe-0.03Cr-0.02Cu-0.06Ti wt % and Al base) under shockwave compression are presented. The submicrocrystalline structure of the alloy was produced in the process of dynamic channel-angular pressing at a strain rate of 104 s-1. The average size of crystallites in the alloy was 180-460 nm. Hugoniot elastic limit σHEL, dynamic yield stress σy, and the spall strength σSP of the submicrocrystalline alloy were determined based on the free-surface velocity profiles of samples during shock compression. It has been established that upon shock compression, the σHEL and σy of the submicrocrystalline alloy are higher than those of the coarse-grained alloy and σsp does not depend on the grain size. The maximum value of σHEL reached for the submicrocrystalline alloy is 0.66 GPa, which is greater than that in the coarse-crystalline alloy by 78%. The dynamic yield stress is σy = 0.31 GPa, which is higher than that of the coarse-crystalline alloy by 63%. The spall strength is σsp = 1.49 GPa. The evolution of the submicrocrystalline structure of the alloy during shock compression was studied. It has been established that a mixed nonequilibrium grain-subgrain structure with a fragment size of about 400 nm is retained after shock compression, and the dislocation density and the hardness of the alloy are increased.

A novel method of multi-scale simulation of macro-scale deformation and microstructure evolution on metal forming

NASA Astrophysics Data System (ADS)

Huang, Shiquan; Yi, Youping; Li, Pengchuan

2011-05-01

In recent years, multi-scale simulation technique of metal forming is gaining significant attention for prediction of the whole deformation process and microstructure evolution of product. The advances of numerical simulation at macro-scale level on metal forming are remarkable and the commercial FEM software, such as Deform2D/3D, has found a wide application in the fields of metal forming. However, the simulation method of multi-scale has little application due to the non-linearity of microstructure evolution during forming and the difficulty of modeling at the micro-scale level. This work deals with the modeling of microstructure evolution and a new method of multi-scale simulation in forging process. The aviation material 7050 aluminum alloy has been used as example for modeling of microstructure evolution. The corresponding thermal simulated experiment has been performed on Gleeble 1500 machine. The tested specimens have been analyzed for modeling of dislocation density, nucleation and growth of recrystallization(DRX). The source program using cellular automaton (CA) method has been developed to simulate the grain nucleation and growth, in which the change of grain topology structure caused by the metal deformation was considered. The physical fields at macro-scale level such as temperature field, stress and strain fields, which can be obtained by commercial software Deform 3D, are coupled with the deformed storage energy at micro-scale level by dislocation model to realize the multi-scale simulation. This method was explained by forging process simulation of the aircraft wheel hub forging. Coupled the results of Deform 3D with CA results, the forging deformation progress and the microstructure evolution at any point of forging could be simulated. For verifying the efficiency of simulation, experiments of aircraft wheel hub forging have been done in the laboratory and the comparison of simulation and experiment result has been discussed in details.

Characterization of ultra-fine grained aluminum produced by accumulative back extrusion (ABE)

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

Alihosseini, H., E-mail: hamid.alihossieni@gmail.com; Materials Science and Engineering Department, Engineering School, Amirkabir University, Tehran; Faraji, G.

2012-06-15

In the present work, the microstructural evolutions and microhardness of AA1050 subjected to one, two and three passes of accumulative back extrusion (ABE) were investigated. The microstructural evolutions were characterized using transmission electron microscopy. The results revealed that applying three passes of accumulative back extrusion led to significant grain refinement. The initial grain size of 47 {mu}m was refined to the grains of 500 nm after three passes of ABE. Increasing the number of passes resulted in more decrease in grain size, better microstructure homogeneity and increase in the microhardness. The cross-section of ABEed specimen consisted of two different zones:more » (i) shear deformation zone, and (ii) normal deformation zone. The microhardness measurements indicated that the hardness increased from the initial value of 31 Hv to 67 Hv, verifying the significant microstructural refinement via accumulative back extrusion. - Highlights: Black-Right-Pointing-Pointer A significant grain refinement can be achieved in AA1050, Al alloy by applying ABE. Black-Right-Pointing-Pointer Microstructural homogeneity of ABEed samples increased by increasing the number of ABE cycles. Black-Right-Pointing-Pointer A substantial increase in the hardness, from 31 Hv to 67 Hv, was recorded.« less

TensorCalculator: exploring the evolution of mechanical stress in the CCMV capsid

NASA Astrophysics Data System (ADS)

Kononova, Olga; Maksudov, Farkhad; Marx, Kenneth A.; Barsegov, Valeri

2018-01-01

A new computational methodology for the accurate numerical calculation of the Cauchy stress tensor, stress invariants, principal stress components, von Mises and Tresca tensors is developed. The methodology is based on the atomic stress approach which permits the calculation of stress tensors, widely used in continuum mechanics modeling of materials properties, using the output from the MD simulations of discrete atomic and C_α -based coarse-grained structural models of biological particles. The methodology mapped into the software package TensorCalculator was successfully applied to the empty cowpea chlorotic mottle virus (CCMV) shell to explore the evolution of mechanical stress in this mechanically-tested specific example of a soft virus capsid. We found an inhomogeneous stress distribution in various portions of the CCMV structure and stress transfer from one portion of the virus structure to another, which also points to the importance of entropic effects, often ignored in finite element analysis and elastic network modeling. We formulate a criterion for elastic deformation using the first principal stress components. Furthermore, we show that von Mises and Tresca stress tensors can be used to predict the onset of a viral capsid’s mechanical failure, which leads to total structural collapse. TensorCalculator can be used to study stress evolution and dynamics of defects in viral capsids and other large-size protein assemblies.

Strength of Rocks Affected by Deformation Enhanced Grain Growth

NASA Astrophysics Data System (ADS)

Kellermann Slotemaker, A.; de Bresser, H.; Spiers, C.

2005-12-01

One way of looking into the possibility of long-term strength changes in the lithosphere is to study transient effects resulting from modifications of the microstructure of rocks. It is generally accepted that mechanical weakening may occur due to progressive grain size refinement resulting from dynamic recrystallization. A decrease in grain size may induce a switch from creep controlled by grain size insensitive dislocation mechanisms to creep governed by grain size sensitive (GSS) mechanisms involving diffusion and grain boundary sliding processes. This switch forms a well-known scenario to explain localization in the lithosphere. However, fine-grained rocks in localized deformation zones are prone to grain coarsening due to surface energy driven grain boundary migration (SED-GBM). This might harden the rock, affecting its role in localizing strain in the long term. The question has arisen if grain growth by SED-GBM in a rock deforming in the GSS creep field can be significantly affected by strain. The broad aim of this study is to shed more light onto this. We have experimentally investigated the microstructural and strength evolution of fine-grained (~0.6 μm) synthetic forsterite and Fe-bearing olivine aggregates that coarsen in grain size while deforming by GSS creep at elevated pressure (600 MPa) and temperature (850-1000 °C). The materials were prepared by `sol-gel' method and contained 0.3-0.5 wt% water and 5-10 vol% enstatite. We performed i) static heat treatment tests of various time durations involving hot isostatic pressing (HIP), and ii) heat treatment tests starting with HIP and continuing with deformation up to 45% axial strain at strain rates in the range 4x10-7 - 1x10-4 s-1. Microstructures were characterized by analyzing full grain size distributions and textures using SEM/EBSD. In addition to the experiments, we studied microstructural evolution in simple two-dimensional numerical models, combining deformation and SED-GBM by means of the modeling package ELLE. Synthetic olivine samples that were heat treated without straining showed only minor grain growth. Presumably, the second phase (enstatite) and/or porosity remaining in the starting material after densification slowed down or inhibited SED-GBM in the static situation. In contrast, samples heat treated and deformed for time durations similar to those of the static tests demonstrated, at identical temperature, an increase in grain size with increasing strain up to a value twice that of the static counterpart. This grain coarsening was associated with continuous hardening of the material, witnessed by the stress-strain curves. A random lattice preferred orientation combined with a low stress sensitivity (n~2) suggested dominant GSS creep controlled by grain boundary sliding. A dynamic grain growth model involving an increase in the fraction of non-hexagonal grains, related to grain neighbor switching, appears applicable to the observed grain growth that is held responsible for the hardening. The ELLE numerical modeling demonstrated that a combination of SED-GBM and geometrical deformation of a 2D grain aggregate can indeed result in enhanced grain growth compared to static grain growth tests. The fraction of non-hexagonal grains was found to remain more or less constant during static grain growth but increased during deformation. We suggest that the application of the dynamic grain growth model to the long-term microstructural evolution of fine-grained lithospheric shear zones can further improve our understanding of the transient or permanent character of strain localizations and related rheological behavior.

Evolution of hardness, microstructure, and strain rate sensitivity in a Zn-22% Al eutectoid alloy processed by high-pressure torsion

NASA Astrophysics Data System (ADS)

Kawasaki, Megumi; Lee, Han-Joo; Choi, In-Chul; Jang, Jae-il; Ahn, Byungmin; Langdon, Terence G.

2014-08-01

Severe plastic deformation (SPD) is an attractive processing method for refining microstructures of metallic materials to give ultrafine grain sizes within the submicrometer to even the nanometer levels. Experiments were conducted to discuss the evolution of hardness, microstructure and strain rate sensitivity, m, in a Zn-22% Al eutectoid alloy processed by high- pressure torsion (HPT). The data from microhardness and nanoindentation hardness measurements revealed that there is a significant weakening in the Zn-Al alloy during HPT despite extensive grain refinement. Excellent room-temperature (RT) plasticity was observed in the alloy after HPT from nanoindentation creep in terms of an increased value of m. The microstructural changes with increasing numbers of HPT turns show a strong correlation with the change in the m value. Moerover, the excellent RT plasticity in the alloy is discussed in terms of the enhanced level of grain boundary sliding and the evolution of microsturucture.

Organic Synthesis via Irradiation and Warming of Ice Grains in the Solar Nebula

NASA Technical Reports Server (NTRS)

Ciesla, Fred J.; Sanford, Scott A.

2012-01-01

Complex organic compounds, including many important to life on Earth, are commonly found in meteoritic and cometary samples, though their origins remain a mystery. We examined whether such molecules could be produced within the solar nebula by tracking the dynamical evolution of ice grains in the nebula and recording the environments they were exposed to. We found that icy grains originating in the outer disk, where temperatures were less than 30 K, experienced UV irradiation exposures and thermal warming similar to that which has been shown to produce complex organics in laboratory experiments. These results imply that organic compounds are natural byproducts of protoplanetary disk evolution and should be important ingredients in the formation of all planetary systems, including our own.

Bridging scales from satellite to grains: Structural mapping aided by tablet and photogrammetry

NASA Astrophysics Data System (ADS)

Hawemann, Friedrich; Mancktelow, Neil; Pennacchioni, Giorgio; Wex, Sebastian; Camacho, Alfredo

2016-04-01

Bridging scales from satellite to grains: Structural mapping aided by tablet and photogrammetry A fundamental problem in small-scale mapping is linking outcrop observations to the large scale deformation pattern. The evolution of handheld devices such as tablets with integrated GPS and the availability of airborne imagery allows a precise localization of outcrops. Detailed structural geometries can be analyzed through ortho-rectified photo mosaics generated by photogrammetry software. In this study, we use a cheap standard Samsung-tablet (< 300 Euro) to map individual, up to 60 m long shear zones with the tracking option offered by the program Locus Map. Even though GPS accuracy is about 3 m, the relative error from one point to another during tracking is on the order of only about 1 dm. Parts of the shear zone with excellent outcrop are photographed with a standard camera with a relatively wide angle in a mosaic array. An area of about 30 sqm needs about 50 photographs with enough overlap to be used for photogrammetry. The software PhotoScan from Agisoft matches the photographs in a fully automated manner, calculates a 3D model of the outcrop, and has the option to project this as an orthophoto onto a flat surface. This allows original orientations of grain-scale structures to be recorded over areas on a scale up to tens to hundreds of metres. The photo mosaics can then be georeferenced with the aid of the GPS-tracks of the shear zones and included in a GIS. This provides a cheap recording of the structures in high detail. The great advantages over mapping with UAVs (drones) is the resolution (<1mm to >1cm), the independence from weather and energy source, and the low cost.

Textural Evolution During Micro Direct Metal Deposition of NiTi Alloy

NASA Astrophysics Data System (ADS)

Khademzadeh, Saeed; Bariani, Paolo F.; Bruschi, Stefania

2018-03-01

In this research, a micro direct metal deposition process, newly developed as a potential method for micro additive manufacturing was used to fabricate NiTi builds. The effect of scanning strategy on grain growth and textural evolution was investigated using scanning electron microscope equipped with electron backscattered diffraction detector. Investigations showed that, the angle between the successive single tracks has an important role in grain size distribution and textural evolution of NiTi phase. Unidirectional laser beam scanning pattern developed a fiber texture; conversely, a backward and forward scanning pattern developed a strong < {100} > ‖‖ RD texture on the surface of NiTi cubic samples produced by micro direct metal deposition.

Textural Evolution During Micro Direct Metal Deposition of NiTi Alloy

NASA Astrophysics Data System (ADS)

Khademzadeh, Saeed; Bariani, Paolo F.; Bruschi, Stefania

2018-07-01

In this research, a micro direct metal deposition process, newly developed as a potential method for micro additive manufacturing was used to fabricate NiTi builds. The effect of scanning strategy on grain growth and textural evolution was investigated using scanning electron microscope equipped with electron backscattered diffraction detector. Investigations showed that, the angle between the successive single tracks has an important role in grain size distribution and textural evolution of NiTi phase. Unidirectional laser beam scanning pattern developed a fiber texture; conversely, a backward and forward scanning pattern developed a strong < {100} > ‖‖ RD texture on the surface of NiTi cubic samples produced by micro direct metal deposition.

Multiscale equation-free algorithms for molecular dynamics

NASA Astrophysics Data System (ADS)

Abi Mansour, Andrew

Molecular dynamics is a physics-based computational tool that has been widely employed to study the dynamics and structure of macromolecules and their assemblies at the atomic scale. However, the efficiency of molecular dynamics simulation is limited because of the broad spectrum of timescales involved. To overcome this limitation, an equation-free algorithm is presented for simulating these systems using a multiscale model cast in terms of atomistic and coarse-grained variables. Both variables are evolved in time in such a way that the cross-talk between short and long scales is preserved. In this way, the coarse-grained variables guide the evolution of the atom-resolved states, while the latter provide the Newtonian physics for the former. While the atomistic variables are evolved using short molecular dynamics runs, time advancement at the coarse-grained level is achieved with a scheme that uses information from past and future states of the system while accounting for both the stochastic and deterministic features of the coarse-grained dynamics. To complete the multiscale cycle, an atom-resolved state consistent with the updated coarse-grained variables is recovered using algorithms from mathematical optimization. This multiscale paradigm is extended to nanofluidics using concepts from hydrodynamics, and it is demonstrated for macromolecular and nanofluidic systems. A toolkit is developed for prototyping these algorithms, which are then implemented within the GROMACS simulation package and released as an open source multiscale simulator.

Rotation-induced grain growth and stagnation in phase-field crystal models.

PubMed

Bjerre, Mathias; Tarp, Jens M; Angheluta, Luiza; Mathiesen, Joachim

2013-08-01

We consider grain growth and stagnation in polycrystalline microstructures. From the phase-field crystal modeling of the coarsening dynamics, we identify a transition from a grain-growth stagnation upon deep quenching below the melting temperature T(m) to a continuous coarsening at shallower quenching near T(m). The grain evolution is mediated by local grain rotations. In the deep quenching regime, the grain assembly typically reaches a metastable state where the kinetic barrier for recrystallization across boundaries is too large and grain rotation with subsequent coalescence or boundary motion is infeasible. For quenching near T(m), we find that the grain growth depends on the average rate of grain rotation, and follows a power-law behavior with time, with a scaling exponent that depends on the quenching depth.

Linking natural microstructures with numerical modeling of pinch-and-swell structures

NASA Astrophysics Data System (ADS)

Peters, Max; Berger, Alfons; Herwegh, Marco; Regenauer-Lieb, Klaus

2016-04-01

For a variety of geological problems, the change from homogeneous to localized deformation and the establishment of steady-state conditions are equally important. Here, we show that pinch-and-swell structures are ideal candidates for the study of the switch in deformation style and mechanism during ductile creep. We present an interdisciplinary approach to the onset of pinch-and-swell structures and to the flow conditions during pre- to post-localization stages in ductile rocks. For this reason, naturally boudinaged calcite veins, embedded in a calc-mylonite, and their microfabrics were investigated quantitatively. Remnants of slightly deformed calcite hosts build up the swells, showing twinning and minor dislocation glide as crystal plastic deformation mechanisms which are accompanied by subgrain rotation recrystallization (SGR). Towards the pinches, we find a gradient of severe grain size reduction through progressive SGR, developing a characteristic dislocation creep crystallographic preferred orientation (CPO). Along this gradient, the finest recrystallized calcite grains appear randomly oriented, expressed by a "smearing-out" of the CPO and missing systematics of misorientation angles in the most extended areas. We interpret this microstructure as a switch from dislocation dominated creep to grain boundary sliding processes. Further, we show that the onset of boudinage is independent on both the original orientation and grain size of calcite hosts. We implemented these microstructural observations into a layered elasto-visco-plastic finite element framework, tracing variations in grain size (Peters et al., 2015). We base the microstructural evolution on thermo-mechanical-chemical principles and end-member flow laws (Herwegh et al., 2014). The simulated pinch-and-swell structures indicate that low strain rates in the swells favor dislocation creep, whereas accelerated rates provoke continuous grain size reduction allowing strain accommodation by diffusion creep dominated deformation at relatively high extensional strains in the pinches. The numerical simulations indicate that viscosity weakening due to dissipated heat from grain size reduction marks the onset of localization, resulting in continuous necking of the layer. Interestingly, there exist multiple steady states, i.e. a first homogeneous state out of which localization arises, steady states of the stable end-member structure, expressed by homogeneous conditions in both pinches and swells, and in the surrounding matrix, the latter obeying a linear rheology. Based on our microstructural and numerical results, we suggest that the onset of localization represents a fundamental material bifurcation. This implies that the studied structures can be described as ductile instabilities. Finally, we discuss the profound role of the energy theory of localization described here, which allows deriving the paleo-deformation conditions, as well as fundamental material properties in a self-consistent manner. REFERENCES Herwegh, M., Poulet, T., Karrech, A. and Regenauer-Lieb, K. (2014): Journal of Geophysical Research 119, doi:10.1002/2013JB010701 Peters, M., Veveakis, M., Poulet, T., Karrech, A., Herwegh, M. and Regenauer-Lieb, K. (2015): Journal of Structural Geology 78, doi:10.1016/j.jsg.2015.06.005

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.

Effect of Heat Index on Microstructure and Mechanical Behavior of Friction Stir Processed AZ31

NASA Astrophysics Data System (ADS)

Yuan, Wei; Mishra, Rajiv S.

Friction stir processing modifies the micro structure and properties of metals through intense plastic deformation. The frictional heat input affects the microstructure evolution and resulting mechanical properties. 2 mm thick commercial AZ31B-H24 Mg alloy was friction stir processed under various process parameter combinations to investigate the effect of heat index on micro structure and properties. Recrystallized grain structure in the nugget region was observed for all processing conditions with decrease in hardness. Results indicate a reduced tensile yield strength and ultimate tensile strength compared to the as-received material in H-temper, but with an improved hardening capacity. The strain hardening behavior of friction stir processed material is discussed.

Hydraulic evolution of high-density turbidity currents from the Brushy Canyon Formation, Eddy County, New Mexico inferred by comparison to settling and sorting experiments

NASA Astrophysics Data System (ADS)

Motanated, Kannipa; Tice, Michael M.

2016-05-01

Hydraulic transformations in turbidity currents are commonly driven by or reflected in changes in suspended sediment concentrations, but changes preceding transformations can be difficult to diagnose because they do not produce qualitative changes in resultant deposits. This study integrates particle settling experiments and in situ detection of hydraulically contrasting particles in turbidites in order to infer changes in suspended sediment concentration during deposition of massive (Bouma Ta) sandstone divisions. Because grains of contrasting density are differentially sorted during hindered settling from dense suspensions, relative grading patterns can be used to estimate suspended sediment concentrations and interpret hydraulic evolution of the depositing turbidity currents. Differential settling of dense particles (aluminum ballotini) through suspensions of hydraulically coarser light particles (silica ballotini) with volumetric concentration, Cv, were studied in a thin vessel by using particle-image-velocimetry. At high Cv, aluminum particles were less retarded than co-sedimenting silica particles, and effectively settled as hydraulically coarser grains. This was because particles were entrained into clusters dominated by the settling behavior of the silica particles. Terminal settling velocities of both particles converged at Cv ≥ 25%, and particle sorting was diminished. The results of settling experiments were applied to understand settling of analogous feldspar and zircon grains in natural turbidity flows. Distributions of light and heavy mineral grains in massive sandstones, Bouma Ta divisions, of turbidites from the Middle Permian Brushy Canyon Formation were observed in situ by X-ray fluorescence microscopy (μXRF). Hydraulic sorting of these grains resulted in characteristic patterns of zirconium abundance that decreased from base to top within Ta divisions. These profiles resulted from upward fining of zircon grains with respect to co-occurring feldspar grains. Although calculated settling velocity distributions for zircon grains in structureless sandstones were slower than those for feldspar grains at infinite dilution, calculated settling velocity distributions for zircon and feldspar grains in overlying black siltstone layers were identical. This evidence suggests that these sandstone divisions were deposited from hyperconcentrated suspensions where particle segregation was diminished and hydraulically fine grains were entrained with hydraulically coarse particles. Hydraulic fining of zircon grains during deposition implies that the suspended sediment concentration at the bases of turbidity currents increased even as the overall current evolved toward lower density as reflected by cessation of Ta deposition and by hydraulic equivalence of zircon and feldspar grains in overlying low-density turbiditic siltstones. This evolution likely resulted from volumetric collapse of the turbidity currents.

Computational study of deformation mechanisms and grain size evolution in granulites - Implications for the rheology of the lower crust

NASA Astrophysics Data System (ADS)

Maierová, Petra; Lexa, Ondrej; Jeřábek, Petr; Schulmann, Karel; Franěk, Jan

2017-05-01

Most of granulite terrains worldwide are characterized by large mean grain sizes of 1 mm or more. An important exception are the high-pressure felsic granulites in the Bohemian Massif, the European Variscan belt. There, recrystallization of original coarse-grained ternary feldspar led to formation of a fine-grained (∼100 μm) mixed matrix dominated by plagioclase and K-feldspar. This change occurred at temperatures of ∼850 °C and was probably caused by chemically induced decomposition related to slight cooling and enhanced by deformation during continental collision. The resulting microstructure shows indications of diffusion creep assisted by melt-enhanced grain-boundary sliding. Further on, minor coarsening occurred associated with deformation by dislocation creep and aggregation of mineral phases. Using a thermodynamics-based model of grain size evolution we show that stability of the fine-grained microstructure crucially depends on Zener pinning in the two-phase mineral matrix. Pinning efficiently hinders grain growth, and the small grain size that resulted from the ternary feldspar decomposition can be stable even at high temperatures. The late switch from the grain-size-sensitive creep to dislocation creep is rather difficult to explain by temperature and strain rate (or stress) changes only. However, a simple incorporation of melt solidification can successfully simulate this behavior. Alternatively, the switch and the associated grain size growth can be related to mineral phase aggregation at lower pressure-temperature conditions resulting into a decrease of pinning efficiency. This study suggests that the fine grain size of the Bohemian granulites, in contrast to the common coarse-grained type, stems from abrupt recrystallization during the high-pressure high-temperature conditions, and pinning in the fine-grained matrix. Such a process may in some cases significantly and suddenly reduce the strength of the lower continental crust and allow for its efficient redistribution.

Sublimation of water ice mixed with silicates and tholins: Evolution of surface texture and reflectance spectra, with implications for comets

NASA Astrophysics Data System (ADS)

Poch, Olivier; Pommerol, Antoine; Jost, Bernhard; Carrasco, Nathalie; Szopa, Cyril; Thomas, Nicolas

2016-03-01

The surfaces of many objects in the Solar System comprise substantial quantities of water ice sometimes mixed with minerals and/or organic molecules. The sublimation of the ice changes the structural and optical properties of these objects. We present laboratory data on the evolution of the structure and the visible and near-infrared spectral reflectance of icy surface analogues of cometary ices, made of water ice, complex organic matter (tholins) and silicates, as they undergo sublimation under low temperature (<-70 °C) and pressure (10-5 mbar) conditions inside the SCITEAS simulation chamber. As the water ice sublimated, we observed in situ the formation of a porous sublimation lag deposit, or sublimation mantle, at the top of the ice. This mantle is a network of filaments made of the non-volatile particles. Organics or phyllosilicates grains, able to interact via stronger inter-particulate forces than olivine grains, can form a foam-like structure having internal cohesiveness, holding olivine grains together. As this mantle builds-up, the band depths of the sub-surface water ice are attenuated until complete extinction under only few millimeters of mantle. Optically thick sublimation mantles are mainly featureless in the near infrared. The absorption bands of the minerals present in the mantle are weak, or even totally absent if minerals are mixed with organics which largely dominate the VIS-NIR reflectance spectrum. During sublimation, ejections of large fragments of mantle, triggered by the gas flow, expose ice particles to the surface. The contrast of brightness between mantled and ice-exposed areas depends on the wavelength range and the dust/ice ratio considered. We describe how the chemical nature of the non-volatiles, the size of their particles, the way they are mixed with the ice and the dust/ice mass ratio influence the texture, activity and spectro-photometric properties of the sublimation mantles. These data provide useful references for interpreting remote-sensing observations of comets and also icy satellites or trans-neptunian objects.

Design of novel materials for additive manufacturing - Isotropic microstructure and high defect tolerance.

PubMed

Günther, J; Brenne, F; Droste, M; Wendler, M; Volkova, O; Biermann, H; Niendorf, T

2018-01-22

Electron Beam Melting (EBM) is a powder-bed additive manufacturing technology enabling the production of complex metallic parts with generally good mechanical properties. However, the performance of powder-bed based additively manufactured materials is governed by multiple factors that are difficult to control. Alloys that solidify in cubic crystal structures are usually affected by strong anisotropy due to the formation of columnar grains of preferred orientation. Moreover, processing induced defects and porosity detrimentally influence static and cyclic mechanical properties. The current study presents results on processing of a metastable austenitic CrMnNi steel by EBM. Due to multiple phase transformations induced by intrinsic heat-treatment in the layer-wise EBM process the material develops a fine-grained microstructure almost without a preferred crystallographic grain orientation. The deformation-induced phase transformation yields high damage tolerance and, thus, excellent mechanical properties less sensitive to process-induced inhomogeneities. Various scan strategies were applied to evaluate the width of an appropriate process window in terms of microstructure evolution, porosity and change of chemical composition.

Imaging Red Supergiants with VLT/SPHERE/ZIMPOL

NASA Astrophysics Data System (ADS)

Cannon, Emily

2018-04-01

In the red supergiant (RSG) phase of evolution massive stars show powerful stellar winds, which strongly influence the supernova (progenitor) properties and control the nature of the compact object that is left behind. Material that is lost in the stellar wind, together with that ejected in the final core collapse, contributes to the chemical enrichment of the local interstellar medium. The mass-loss properties of RSGs are however poorly constrained. Moreover, little is known about the wind driving mechanism. To provide better constraints on both mass-loss rates and physics, high angular resolution observations are needed to unveil the inner regions of the circumstellar environment, where the mass loss is triggered. Using the VLT-SPHERE/ZIMPOL adaptive optics imaging polarimeter, spatially resolved images of four nearby RSGs were obtained in four filters. From these data, we obtain information on geometrical structures in the inner wind, the onset radius and spatial distribution of dust grains, and dust properties such as grain size. As dust grains may play a role in initiating and/or driving the outflow, this could provide us with clues as to the wind driving mechanism.

Brittle-ductile deformation effects on zircon crystal-chemistry and U-Pb ages: an example from the Finero Mafic Complex (Ivrea-Verbano Zone, western Alps)

NASA Astrophysics Data System (ADS)

Langone, Antonio; José Alberto, Padrón-Navarta; Zanetti, Alberto; Mazzucchelli, Maurizio; Tiepolo, Massimo; Giovanardi, Tommaso; Bonazzi, Mattia

2016-04-01

A detailed structural, geochemical and geochronological survey was performed on zircon grains from a leucocratic dioritic dyke discordantly intruded within meta-diorites/gabbros forming the External Gabbro unit of the Finero Mafic Complex. This latter is nowadays exposed as part of a near complete crustal section spanning from mantle rocks to upper crustal metasediments (Val Cannobina, Ivrea-Verbano Zone, Italy). The leucocratic dyke consists mainly of plagioclase (An18-24Ab79-82Or0.3-0.7) with subordinate amounts of biotite, spinel, zircon and corundum. Both the leucocratic dyke and the surrounding meta-diorites show evidence of ductile deformation occurred under amphibolite-facies conditions. Zircon grains (up to 2 mm in length) occur mainly as euhedral grains surrounded by fine grained plagioclase-dominated matrix and pressure shadows, typically filled by oxides. Fractures and cracks within zircon are common and can be associated with grain displacement or they can be filled by secondary minerals (oxides and chlorite). Cathodoluminescence (CL) images show that zircon grains have internal features typical of magmatic growth, but with local disturbances. However EBSD maps on two selected zircon grains revealed a profuse mosaic texture resulting in an internal misorientation of ca. 10o. The majority of the domains of the mosaic texture are related to parting and fractures, but some domains show no clear relation with brittle features. Rotation angles related to the mosaic texture are not crystallographically controlled. In addition, one of the analysed zircons shows clear evidence of plastic deformation at one of its corners due to indentation. Plastic deformation results in gradual misorientations of up to 12o, which are crystallographically controlled. Trace elements and U-Pb analyses were carried out by LA-ICP-MS directly on petrographic thin sections and designed to cover the entire exposed surface of selected grains. Such investigations revealed a strong correlation between internal zircon structures, chemistry, U-Pb isotope ratios and mylonitic fabric. U-Pb data return highly discordant and variable ages: in particular, the 206Pb/238U ages range from Carboniferous to Triassic within the same zircon grain. The youngest 206Pb/238U data derive from narrow axial stripes oriented parallel or at low angle with respect to the foliation planes. These stripes are characterized by an overall HREE, Y, U and Th enrichment possibly reflecting deformation of the grain in presence of interstitial fluid phases, likely related to a concomitant magmatic activity. Deformation related structures (cracks and fractures) within zircon grains acted as fast-diffusion pathways allowing fluids to modify the geochemistry and isotopic systems of zircon. Our results suggest that fluid-assisted brittle-ductile deformation can severely modify the trace elements and isotopic composition of zircon with unexpected patterns constrained by stress regime. In similar cases, our observations suggest that, for a more appropriate interpretation of the petrologic evolution and age variability, a direct characterization of the internal structures of zircons still placed in their microtextural site is highly recommended.

Implications of a North American grain marketing system for prairie transportation and elevators

DOT National Transportation Integrated Search

1997-09-01

The balance of this report will examine the experiences U.S. production agriculture has had with deregulation of the transportation industry. It will highlight the evolution of the procurement segment of grain marketing, concentrating on the wheat or...

The Circumstellar Disk HD 169142: Gas, Dust, and Planets Acting in Concert?

NASA Astrophysics Data System (ADS)

Pohl, A.; Benisty, M.; Pinilla, P.; Ginski, C.; de Boer, J.; Avenhaus, H.; Henning, Th.; Zurlo, A.; Boccaletti, A.; Augereau, J.-C.; Birnstiel, T.; Dominik, C.; Facchini, S.; Fedele, D.; Janson, M.; Keppler, M.; Kral, Q.; Langlois, M.; Ligi, R.; Maire, A.-L.; Ménard, F.; Meyer, M.; Pinte, C.; Quanz, S. P.; Sauvage, J.-F.; Sezestre, É.; Stolker, T.; Szulágyi, J.; van Boekel, R.; van der Plas, G.; Villenave, M.; Baruffolo, A.; Baudoz, P.; Le Mignant, D.; Maurel, D.; Ramos, J.; Weber, L.

2017-11-01

HD 169142 is an excellent target for investigating signs of planet-disk interaction due to previous evidence of gap structures. We perform J-band (˜1.2 μm) polarized intensity imaging of HD 169142 with VLT/SPHERE. We observe polarized scattered light down to 0.″16 (˜19 au) and find an inner gap with a significantly reduced scattered-light flux. We confirm the previously detected double-ring structure peaking at 0.″18 (˜21 au) and 0.″56 (˜66 au) and marginally detect a faint third gap at 0.″70-0.″73 (˜82-85 au). We explore dust evolution models in a disk perturbed by two giant planets, as well as models with a parameterized dust size distribution. The dust evolution model is able to reproduce the ring locations and gap widths in polarized intensity but fails to reproduce their depths. However, it gives a good match with the ALMA dust continuum image at 1.3 mm. Models with a parameterized dust size distribution better reproduce the gap depth in scattered light, suggesting that dust filtration at the outer edges of the gaps is less effective. The pileup of millimeter grains in a dust trap and the continuous distribution of small grains throughout the gap likely require more efficient dust fragmentation and dust diffusion in the dust trap. Alternatively, turbulence or charging effects might lead to a reservoir of small grains at the surface layer that is not affected by the dust growth and fragmentation cycle dominating the dense disk midplane. The exploration of models shows that extracting planet properties such as mass from observed gap profiles is highly degenerate. Based on observations collected at the European Organisation for Astronomical Research in the Southern Hemisphere under ESO program 095.C-0273.

The evolution of interaction between grain boundary and irradiation-induced point defects: Symmetric tilt GB in tungsten

NASA Astrophysics Data System (ADS)

Li, Hong; Qin, Yuan; Yang, Yingying; Yao, Man; Wang, Xudong; Xu, Haixuan; Phillpot, Simon R.

2018-03-01

Molecular dynamics method is used and scheme of calculational tests is designed. The atomic evolution view of the interaction between grain boundary (GB) and irradiation-induced point defects is given in six symmetric tilt GB structures of bcc tungsten with the energy of the primary knock-on atom (PKA) EPKA of 3 and 5 keV and the simulated temperature of 300 K. During the collision cascade with GB structure there are synergistic mechanisms to reduce the number of point defects: one is vacancies recombine with interstitials, and another is interstitials diffuse towards the GB with vacancies almost not move. The larger the ratio of the peak defect zone of the cascades overlaps with the GB region, the statistically relative smaller the number of surviving point defects in the grain interior (GI); and when the two almost do not overlap, vacancy-intensive area generally exists nearby GBs, and has a tendency to move toward GB with the increase of EPKA. In contrast, the distribution of interstitials is relatively uniform nearby GBs and is affected by the EPKA far less than the vacancy. The GB has a bias-absorption effect on the interstitials compared with vacancies. It shows that the number of surviving vacancies statistically has increasing trend with the increase of the distance between PKA and GB. While the number of surviving interstitials does not change much, and is less than the number of interstitials in the single crystal at the same conditions. The number of surviving vacancies in the GI is always larger than that of interstitials. The GB local extension after irradiation is observed for which the interstitials absorbed by the GB may be responsible. The designed scheme of calculational tests in the paper is completely applicable to the investigation of the interaction between other types of GBs and irradiation-induced point defects.

Mapping Ionic Currents and Reactivity on the Nanoscale: Electrochemical Strain Microscopy

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

Kalinin, S.V.

2010-10-19

Solid-state electrochemical processes in oxides underpin a broad spectrum of energy and information storage devices, ranging from Li-ion and Li-air batteries, to solid oxide fuel cells (SOFC) to electroresistive and memristive systems. These functionalities are controlled by the bias-driven diffusive and electromigration transport of mobile ionic species, as well as intricate a set of electrochemical and defect-controlled reactions at interfaces and in bulk. Despite the wealth of device-level and atomistic studies, little is known on the mesoscopic mechanisms of ion diffusion and electronic transport on the level of grain clusters, individual grains, and extended defects. The development of the capabilitymore » for probing ion transport on the nanometer scale is a key to deciphering complex interplay between structure, functionality, and performance in these systems. Here we introduce Electrochemical Strain Microscopy, a scanning probe microscopy technique based on strong strain-bias coupling in the systems in which local ion concentrations are changed by electrical fields. The imaging capability, as well as time- and voltage spectroscopies analogous to traditional current based electrochemical characterization methods are developed. The reversible intercalation of Li and mapping electrochemical activity in LiCoO2 is demonstrated, illustrating higher Li diffusivity at non-basal planes and grain boundaries. In Si-anode device structure, the direct mapping of Li diffusion at extended defects and evolution of Li-activity with charge state is explored. The electrical field-dependence of Li mobility is studied to determine the critical bias required for the onset of electrochemical transformation, allowing reaction and diffusion processes in the battery system to be separated at each location. Finally, the applicability of ESM for probing oxygen vacancy diffusion and oxygen reduction/evolution reactions is illustrated, and the high resolution ESM maps are correlated with aberration corrected scanning transmission electron microscopy imaging. The future potential for deciphering mechanisms of electrochemical transformations on an atomically-defined single-defect level is discussed.« less

Length scale effects and multiscale modeling of thermally induced phase transformation kinetics in NiTi SMA

NASA Astrophysics Data System (ADS)

Frantziskonis, George N.; Gur, Sourav

2017-06-01

Thermally induced phase transformation in NiTi shape memory alloys (SMAs) shows strong size and shape, collectively termed length scale effects, at the nano to micrometer scales, and that has important implications for the design and use of devices and structures at such scales. This paper, based on a recently developed multiscale model that utilizes molecular dynamics (MDs) simulations at small scales and MD-verified phase field (PhF) simulations at larger scales, reports results on specific length scale effects, i.e. length scale effects in martensite phase fraction (MPF) evolution, transformation temperatures (martensite and austenite start and finish) and in the thermally cyclic transformation between austenitic and martensitic phase. The multiscale study identifies saturation points for length scale effects and studies, for the first time, the length scale effect on the kinetics (i.e. developed internal strains) in the B19‧ phase during phase transformation. The major part of the work addresses small scale single crystals in specific orientations. However, the multiscale method is used in a unique and novel way to indirectly study length scale and grain size effects on evolution kinetics in polycrystalline NiTi, and to compare the simulation results to experiments. The interplay of the grain size and the length scale effect on the thermally induced MPF evolution is also shown in this present study. Finally, the multiscale coupling results are employed to improve phenomenological material models for NiTi SMA.

On the interaction of solutes with grain boundaries

DOE PAGES

Dingreville, Remi Philippe Michel; Berbenni, Stephane

2015-11-01

Solute segregation to grain boundaries is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. The solute distribution around grain boundaries is described through Fermi–Dirac statistics of site occupancy. The susceptibility of hydrogen segregation to symmetric tilt grain boundaries is discussed in terms of the misorientation angle, the defect type characteristics at the grain boundary, temperature, and the prescribed bulk hydrogen fraction of occupied sites. Through this formalism, it is found that hydrogen trapping on grain boundaries clearly correlates with the grain boundary structure (i.e.more » type of structural unit composing the grain boundary), and the associated grain boundary misorientation. Specifically, for symmetric tilt grain boundaries about the [001] axis, grain boundaries composed of both B and C structural units show a lower segregation susceptibility than other grain boundaries. A direct correlation between the segregation susceptibility and the intrinsic net defect density is provided through the Frank–Bilby formalism. Moreover, the present formulation could prove to be a simple and useful model to identify classes of grain boundaries relevant to grain boundary engineering.« less

On the interaction of solutes with grain boundaries

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

Dingreville, Remi Philippe Michel; Berbenni, Stephane

Solute segregation to grain boundaries is considered by modeling solute atoms as misfitting inclusions within a disclination structural unit model describing the grain boundary structure and its intrinsic stress field. The solute distribution around grain boundaries is described through Fermi–Dirac statistics of site occupancy. The susceptibility of hydrogen segregation to symmetric tilt grain boundaries is discussed in terms of the misorientation angle, the defect type characteristics at the grain boundary, temperature, and the prescribed bulk hydrogen fraction of occupied sites. Through this formalism, it is found that hydrogen trapping on grain boundaries clearly correlates with the grain boundary structure (i.e.more » type of structural unit composing the grain boundary), and the associated grain boundary misorientation. Specifically, for symmetric tilt grain boundaries about the [001] axis, grain boundaries composed of both B and C structural units show a lower segregation susceptibility than other grain boundaries. A direct correlation between the segregation susceptibility and the intrinsic net defect density is provided through the Frank–Bilby formalism. Moreover, the present formulation could prove to be a simple and useful model to identify classes of grain boundaries relevant to grain boundary engineering.« less

Highly Efficient 2D/3D Hybrid Perovskite Solar Cells via Low-Pressure Vapor-Assisted Solution Process.

PubMed

Li, Ming-Hsien; Yeh, Hung-Hsiang; Chiang, Yu-Hsien; Jeng, U-Ser; Su, Chun-Jen; Shiu, Hung-Wei; Hsu, Yao-Jane; Kosugi, Nobuhiro; Ohigashi, Takuji; Chen, Yu-An; Shen, Po-Shen; Chen, Peter; Guo, Tzung-Fang

2018-06-08

The fabrication of multidimensional organometallic halide perovskite via a low-pressure vapor-assisted solution process is demonstrated for the first time. Phenyl ethyl-ammonium iodide (PEAI)-doped lead iodide (PbI 2 ) is first spin-coated onto the substrate and subsequently reacts with methyl-ammonium iodide (MAI) vapor in a low-pressure heating oven. The doping ratio of PEAI in MAI-vapor-treated perovskite has significant impact on the crystalline structure, surface morphology, grain size, UV-vis absorption and photoluminescence spectra, and the resultant device performance. Multiple photoluminescence spectra are observed in the perovskite film starting with high PEAI/PbI 2 ratio, which suggests the coexistence of low-dimensional perovskite (PEA 2 MA n -1 Pb n I 3 n +1 ) with various values of n after vapor reaction. The dimensionality of the as-fabricated perovskite film reveals an evolution from 2D, hybrid 2D/3D to 3D structure when the doping level of PEAI/PbI 2 ratio varies from 2 to 0. Scanning electron microscopy images and Kelvin probe force microscopy mapping show that the PEAI-containing perovskite grain is presumably formed around the MAPbI 3 perovskite grain to benefit MAPbI 3 grain growth. The device employing perovskite with PEAI/PbI 2 = 0.05 achieves a champion power conversion efficiency of 19.10% with an open-circuit voltage of 1.08 V, a current density of 21.91 mA cm -2 , and a remarkable fill factor of 80.36%. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Darwinism and cultural change.

PubMed

Godfrey-Smith, Peter

2012-08-05

Evolutionary models of cultural change have acquired an important role in attempts to explain the course of human evolution, especially our specialization in knowledge-gathering and intelligent control of environments. In both biological and cultural change, different patterns of explanation become relevant at different 'grains' of analysis and in contexts associated with different explanatory targets. Existing treatments of the evolutionary approach to culture, both positive and negative, underestimate the importance of these distinctions. Close attention to grain of analysis motivates distinctions between three possible modes of cultural evolution, each associated with different empirical assumptions and explanatory roles.

SOFT X-RAY IRRADIATION OF SILICATES: IMPLICATIONS FOR DUST EVOLUTION IN PROTOPLANETARY DISKS

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

Ciaravella, A.; Cecchi-Pestellini, C.; Jiménez-Escobar, A.

2016-09-01

The processing of energetic photons on bare silicate grains was simulated experimentally on silicate films submitted to soft X-rays of energies up to 1.25 keV. The silicate material was prepared by means of a microwave assisted sol–gel technique. Its chemical composition reflects the Mg{sub 2}SiO{sub 4} stoichiometry with residual impurities due to the synthesis method. The experiments were performed using the spherical grating monochromator beamline at the National Synchrotron Radiation Research Center in Taiwan. We found that soft X-ray irradiation induces structural changes that can be interpreted as an amorphization of the processed silicate material. The present results may havemore » relevant implications in the evolution of silicate materials in X-ray-irradiated protoplanetary disks.« less

Snow Micro-Structure Model

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

Micah Johnson, Andrew Slaughter

PIKA is a MOOSE-based application for modeling micro-structure evolution of seasonal snow. The model will be useful for environmental, atmospheric, and climate scientists. Possible applications include application to energy balance models, ice sheet modeling, and avalanche forecasting. The model implements physics from published, peer-reviewed articles. The main purpose is to foster university and laboratory collaboration to build a larger multi-scale snow model using MOOSE. The main feature of the code is that it is implemented using the MOOSE framework, thus making features such as multiphysics coupling, adaptive mesh refinement, and parallel scalability native to the application. PIKA implements three equations:more » the phase-field equation for tracking the evolution of the ice-air interface within seasonal snow at the grain-scale; the heat equation for computing the temperature of both the ice and air within the snow; and the mass transport equation for monitoring the diffusion of water vapor in the pore space of the snow.« less

Enhanced lithium-ion storage and hydrogen evolution reaction catalysis of MoS2/graphene nanoribbons hybrids with loose interlaced three-dimension structure

NASA Astrophysics Data System (ADS)

Wu, Xuan; Fan, Zihan; Ling, Xiaolun; Wu, Shuting; Chen, Xin; Hu, Xiaolin; Zhuang, Naifeng; Chen, Jianzhong

2018-06-01

Molybdenum disulfide hybridized with graphene nanoribbon (MoS2/GNR) was prepared by mild method. MoS2/GNR hybrids interlace loosely into a three-dimension structure. GNR hybridization can improve the dispersity of MoS2, reduce the grain size of MoS2 to 3-6 nm, increase the specific surface area, and broaden the interlamellar spacing of MoS2 (002) plane to 0.67-0.73 nm, which facilitates the transportation of Li+ ions for lithium-ion battery. MoS2/GNR hybrids have better cyclic durability, higher specific discharge capacity, and superior rate performance than MoS2. The electrocatalytic activity in hydrogen evolution reaction shows that MoS2/GNR hybrids have the lower overpotential and the larger current density with a negligible current loss after 2000 cycles. Hybridizing with GNRs enhances both the lithium-ion electrochemical storage and the electrocatalytic activity of MoS2. [Figure not available: see fulltext.

Patterned solid state growth of barium titanate crystals

NASA Astrophysics Data System (ADS)

Ugorek, Michael Stephen

An understanding of microstructure evolution in ceramic materials, including single crystal development and abnormal/enhanced grain growth should enable more controlled final ceramic element structures. In this study, two different approaches were used to control single crystal development in a patterned array. These two methods are: (1) patterned solid state growth in BaTiO 3 ceramics, and (2) metal-mediated single crystal growth in BaTiO 3. With the patterned solid state growth technique, optical photolithography was used to pattern dopants as well as [001] and [110] BaTiO3 single crystal template arrays with a 1000 microm line pattern array with 1000 microm spacings. These patterns were subsequently used to control the matrix grain growth evolution and single crystal development in BaTiO3. It was shown that the growth kinetics can be controlled by a small initial grain size, atmosphere conditions, and the introduction of a dopant at selective areas/interfaces. By using a PO2 of 1x10-5 atm during high temperature heat treatment, the matrix coarsening has been limited (to roughly 2 times the initial grain size), while retaining single crystal boundary motion up to 0.5 mm during growth for dwell times up to 9 h at 1300°C. The longitudinal and lateral growth rates were optimized at 10--15 microm/h at 1300°C in a PO2 of 1x10 -5 atm for single crystal growth with limited matrix coarsening. Using these conditions, a patterned microstructure in BaTiO3 was obtained. With the metal-mediated single crystal growth technique, a novel approach for fabricating 2-2 single crystal/polymer composites with a kerf < 5 microns was demonstrated. Surface templated grain growth was used to propagate a single crystal interface into a polycrystalline BaTiO3 or Ba(Zr0.05 Ti0.95)O3 matrix with lamellar nickel layers. The grain growth evolution and texture development were studied using both [001] and [110] BaTiO3 single crystals templates. By using a PO 2 of 1x10-11 atm during high temperature heat treatment, matrix coarsening was limited while enabling single crystal boundary motion up to 0.35 mm during growth between 1250°C and 1300°C with growth rates ˜ 3--4 microm/h for both single crystal orientations. By removing the inner electrodes, 2-2 single crystal (or ceramic) composites were prepared. The piezoelectric and dielectric properties of the composites of the two compositions were measured. The d33 and d31 of the composites were similar to the polycrystalline ceramic of the same composition.

Meteoritic Stardust and the Presolar History of the Solar Neighborhood

NASA Astrophysics Data System (ADS)

Nittler, Larry R.

Presolar stardust is present at low levels in meteorites and cometary dust and identified as ancient stellar matter by unusual isotopic compositions reflecting nuclear processes in stellar interiors and galactic chemical evolution. Most grains originated in winds from asymptotic giant branch (AGB) stars and supernova and their isotopic compositions provide important constraints on models of evolution and nucleosynthesis in these environments. The presolar grains from AGB stars appear to have formed in a lower-mass population of stars than predicted by GCE models. A merger of the Milky Way with a dwarf galaxy some 1 Gyr before the birth of the Solar System may explain this and other grain observations and the data thus can provide a unique window into the presolar history of the solar neighborhood.

Organic synthesis via irradiation and warming of ice grains in the solar nebula.

PubMed

Ciesla, Fred J; Sandford, Scott A

2012-04-27

Complex organic compounds, including many important to life on Earth, are commonly found in meteoritic and cometary samples, though their origins remain a mystery. We examined whether such molecules could be produced within the solar nebula by tracking the dynamical evolution of ice grains in the nebula and recording the environments to which they were exposed. We found that icy grains originating in the outer disk, where temperatures were less than 30 kelvin, experienced ultraviolet irradiation exposures and thermal warming similar to that which has been shown to produce complex organics in laboratory experiments. These results imply that organic compounds are natural by-products of protoplanetary disk evolution and should be important ingredients in the formation of all planetary systems, including our own.

Final Summary of Research Report to the National Aeronautics and Space Administration Cosmochemistry Program

NASA Technical Reports Server (NTRS)

O'D. Alexander, Conel

2003-01-01

The discovery of presolar grains in meteorites is one of the most exciting recent developments in meteoritics. Six types of presolar grain have been discovered: diamond, Sic, graphite, Si3N4, Al2O3 and MgAl2O4. These grains have been identified as presolar because their isotopic compositions are very different from those of Solar System materials. Comparison of their isotopic compositions with astronomical observations and theoretical models indicates most of the grains formed in the envelopes of highly evolved stars. They are, therefore, a new source of information with which to test astrophysical models of the evolution of these stars. In fact, because several elements can often be measured in the same grain, including elements that are not measurable spectroscopically in stars, the grain data provide some very stringent constraints for these models. Our primary goal is to create large, unbiased, multi-isotope databases of single presolar Sic, Si,N,, oxide and graphite grains in meteorites, as well as any new presolar grain types that are identified in the future. These will be used to: (i) test stellar and nucleosynthetic models, (ii) constrain the galactic chemical evolution (GCE) paths of the isotopes of Si, Ti, O and Mg, (iii) establish how many stellar sources contributed to the Solar System, (iv) constrain relative dust production rates of various stellar types and (v) assess how representative of galactic dust production the record in meteorites is. The primary tool for this project is a highly automated grain analysis system on the Carnegie 6f ion probe.

Final Summary of Research Report to the National Aeronautics and Space Administration Cosmochemistry Program

NASA Technical Reports Server (NTRS)

O'D.Alexander, Conel

2004-01-01

The discovery of presolar grains in meteorites is one of the most exciting recent developments in meteoritics. Six types of presolar grain have been discovered: diamond, Sic, graphite, Si3N4, Al2O3 and MgAl2O4. These grains have been identified as presolar because their isotopic compositions are very different from those of Solar System materials. Comparison of their isotopic compositions with astronomical observations and theoretical models indicates most of the grains formed in the envelopes of highly evolved stars. They are, therefore, a new source of information with which to test astrophysical models of the evolution of these stars. In fact, because several elements can often be measured in the same grain, including elements that are not measurable spectroscopically in stars, the grain data provide some very stringent constraints for these models. Our primary goal is to create large, unbiased, multi-isotope databases of single presolar Sic, Si,N,, oxide and graphite grains in meteorites, as well as any new presolar grain types that are identified in the future. These will be used to: (i) test stellar and nucleosynthetic models, (ii) constrain the galactic chemical evolution (GCE) paths of the isotopes of Si, Ti, 0 and Mg, (iii) establish how many stellar sources contributed to the Solar System, (iv) constrain relative dust production rates of various stellar types and (v) assess how representative of galactic dust production the record in meteorites is. The primary tool for this project is a highly automated grain analysis system we have developed for the Carnegie 6f ion probe.

Physical nature of surface structure degradation in long term operated rails

NASA Astrophysics Data System (ADS)

Gromov, V. E.; Yuriev, A. A.; Peregudov, O. A.; Konovalov, S. V.; Ivanov, Yu. F.; Glezer, A. M.; Semin, A. P.

2017-12-01

Here we present research data on the structural-phase state and surface properties of rails after long-term operation with a transported tonnage of gross weight 500 and 1000 mln tons. Using optical, scanning, and transmission electron diffraction microscopy, and measurements of microhardness and tribological parameters, it is shown that the wear rate of the material after transport of 500 and 1000 mln tons increases 3 and 3.4 times, respectively, and the friction coefficient decreases 1.4 and 1.1 times. After transport of 500 mln tons, complete failure of cementite plates occurs resulting in round cementite particles of size 10-50 nm. After transport of 1000 mln tons, dynamic recrystallization develops in the material. Two competitive mechanisms are suggested for such evolution: (1) decomposition of cementite particles with their transfer to the volume of ferrite grains or plates in pearlite and (2) decomposition and dissolution of cementite particles, transition of carbon atoms to dislocations (to Cottrell atmospheres), transfer of carbon atoms by dislocations to the volume of ferrite grains or plates, and formation of nano-sized cementite particles.

Evolution of rapidly solidified NiAlCu(B) alloy microstructure.

PubMed

Czeppe, Tomasz; Ochin, Patrick

2006-10-01

This study concerned phase transformations observed after rapid solidification and annealing at 500, 700 and 800 degrees C in 56.3 Ni-39.9 Al-3.8 Cu-0.06 B (E1) and 59.8 Ni-36.0 Al-4.3 Cu-0.06 B (E2) alloys (composition in at.%). Injection casting led to a homogeneous structure of very small, one-phase grains (2-4 microm in size). In both alloys, the phase observed at room temperature was martensite of L1(0) structure. The process of the formation of the Ni(5)Al(3) phase by atomic reordering proceeded at 285-394 degrees C in the case of E1 alloy and 450-550 degrees C in the case of E2 alloy. Further decomposition into NiAl (beta) and Ni(3)Al (gamma') phases, the microstructure and crystallography of the phases depended on the path of transformations, proceeding in the investigated case through the transformation of martensite crystallographic variants. This preserved precise crystallographic orientation between the subsequent phases, very stable plate-like morphology and very small beta + gamma' grains after annealing at 800 degrees C.

Structure evolution of zinc oxide thin films deposited by unbalance DC magnetron sputtering

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

Aryanto, Didik, E-mail: didi027@lipi.go.id; Materials Research Group, Physics Department, Universitas Negeri Semarang, Gunungpati, Semarang 50229 Jawa Tengah; Marwoto, Putut

Zinc oxide (ZnO) thin films are deposited on corning glass substrates using unbalanced DC magnetron sputtering. The effect of growth temperature on surface morphology and crystallographic orientation of ZnO thin film is studied using atomic force microscopy (AFM) and X-ray diffraction (XRD) techniques. The surface morphology and crystallographic orientation of ZnO thin film are transformed against the increasing of growth temperature. The mean grain size of film and the surface roughness are inversely and directly proportional towards the growth temperature from room temperature to 300 °C, respectively. The smaller grain size and finer roughness of ZnO thin film are obtainedmore » at growth temperature of 400 °C. The result of AFM analysis is in good agreement with the result of XRD analysis. ZnO thin films deposited in a series of growth temperatures have hexagonal wurtzite polycrystalline structures and they exhibit transformations in the crystallographic orientation. The results in this study reveal that the growth temperature strongly influences the surface morphology and crystallographic orientation of ZnO thin film.« less

Grain Refinement Kinetics in a Low Alloyed Cu–Cr–Zr Alloy Subjected to Large Strain Deformation

PubMed Central

Morozova, Anna; Borodin, Elijah; Bratov, Vladimir; Zherebtsov, Sergey; Kaibyshev, Rustam

2017-01-01

This paper investigates the microstructural evolution and grain refinement kinetics of a solution-treated Cu–0.1Cr–0.06Zr alloy during equal channel angular pressing (ECAP) at a temperature of 673 K via route BC. The microstructural change during plastic deformation was accompanied by the formation of the microband and an increase in the misorientations of strain-induced subboundaries. We argue that continuous dynamic recrystallization refined the initially coarse grains, and discuss the dynamic recrystallization kinetics in terms of grain/subgrain boundary triple junction evolution. A modified Johnson–Mehl–Avrami–Kolmogorov relationship with a strain exponent of about 1.49 is used to express the strain dependence of the triple junctions of high-angle boundaries. Severe plastic deformation by ECAP led to substantial strengthening of the Cu–0.1Cr–0.06Zr alloy. The yield strength increased from 60 MPa in the initial state to 445 MPa after a total strain level of 12. PMID:29210990

The effects of perturbations on the strain distribution in numerical simulations - elasto-viscoplastic modeling of boudinage as a case study

NASA Astrophysics Data System (ADS)

Peters, Max; Karrech, Ali; Poulet, Thomas; Herwegh, Marco; Regenauer-Lieb, Klaus

2014-05-01

During necking of a mechanically stiffer layer embedded in a weaker matrix, relatively large amounts of strain localize in small areas. As this deformation style appears under distinct geological conditions, necking phenomena, e.g. boudinaged veins, are associated with a variety of deformation modes. So far, there exists rather limited knowledge about the origin of instabilities and their role as precursory structures, i.e. strong localization of elastic energy affecting further plastic deformation (e.g. Regenauer-Lieb & Yuen, 1998; 2004; Karrech et al., 2011a). We applied the finite element solver ABAQUS in order to investigate the 2-D strain distribution in layers including different mechanical material properties during plane strain co-axial deformation. First, linear perturbation analyses were performed in order to evaluate the imperfection sensitivity in the elastic and viscous regimes. We perform a classical modal analysis to determine the natural mode shapes and frequencies of our geological structure during arbitrary vibrations. This analysis aims at detecting the eigenmodes of the geological structure, which are sinusoidal vibrations with geometry specific natural modal shapes and frequencies. The eigenvalues represent the nodal points where the onset of (visco)-elasto-plastic localization can initiate in the structure (Rice, 1977). The eigenmodes, eigenvalues and eigenvectors are highly sensitive to the layer-box' aspect ratio and differences in Young's moduli, or effective viscosity, respectively. Boundary effect-free strain propagation occurs for layer-box aspect ratios smaller than 1:10. Second, these preloading structures were used as seeds for imperfections in elasto-viscoplastic numerical modeling of continuous necking of a coarse-grained mineral layer embedded in a finer-grained matrix (pinch-and-swell type of boudinage), following the thermo-mechanical coupling of grain size evolutions by Herwegh et al. (in press). The evolution of symmetric necks seems to coincide with the transition from dislocation to diffusion creep dominated viscous flow with dramatic grain size reduction and grain growth from swell to neck, respectively, at relatively high extensional strains. Strain propagates from initial stress concentrations in the layer (necks) at an angle of 45° into the matrix, in form of conjugate shear band sets. Preliminary results show that pre-calculated eigenmodes (and corresponding imperfection sizes) amplify these concentrations and lead to a significant reduction of computational time for individual simulations. Moreover, the strain imperfections seeded around the pre-calculated distribution severely change the geometry of necking structures and amount of accommodated plastic strain. We reveal that elastic stress concentrations control localized visco-plastic deformation, which is expressed in the plastic strain energy increase in necking structures. These findings underline the importance of the transient (elasticity and strain hardening) deformation regimes as triggers for plastic deformation and the need for thermodynamics-based (total) energy considerations. REFERENCES Herwegh, M., Poulet, T., Karrech, A. and Regenauer-Lieb, K. (in press). From transient to steady state deformation and grain size: A thermodynamic approach using elasto-visco-plastic numerical modeling. Journal of Geophysical Research. Karrech, A., Regenauer-Lieb, K. and Poulet, T. (2011a). A Damaged visco-plasticity model for pressure and temperature sensitive geomaterials. Journal of Engineering Science 49. Regenauer-Lieb, K., Yuen, D., 1998: Rapid conversion of elastic energy into plastic shear heating during incipient necking of the lithosphere. Geophysical Research Letters, 25. Regenauer-Lieb, K., Yuen, D., 2004. Positive feedback of interacting ductile faults from coupling of equation of state, rheology and thermal-mechanics. Physics of the Earth and Planetary Interiors, 142. Rice, J. R. (1977). The localization of plastic deformation. Theoretical and Applied Mechanics. W. T. Koiter. Amsterdam, North-Holland: 207-220.

Comparisons of Different Models on Dynamic Recrystallization of Plate during Asymmetrical Shear Rolling

PubMed Central

Zhang, Tao; Li, Lei; Lu, Shi-Hong; Gong, Hai; Wu, Yun-Xin

2018-01-01

Asymmetrical shear rolling with velocity asymmetry and geometry asymmetry is beneficial to enlarge deformation and refine grain size at the center of the thick plate compared to conventional symmetrical rolling. Dynamic recrystallization (DRX) plays a vital role in grain refinement during hot deformation. Finite element models (FEM) coupled with microstructure evolution models and cellular automata models (CA) are established to study the microstructure evolution of plate during asymmetrical shear rolling. The results show that a larger DRX fraction and a smaller average grain size can be obtained at the lower layer of the plate. The DRX fraction at the lower part increases with the ascending speed ratio, while that at upper part decreases. With the increase of the offset distance, the DRX fraction slightly decreases for the whole thickness of the plate. The differences in the DRX fraction and average grain size between the upper and lower surfaces increase with the ascending speed ratio; however, it varies little with the change of the speed ratio. Experiments are conducted and the CA models have a higher accuracy than FEM models as the grain morphology, DRX nuclei, and grain growth are taken into consideration in CA models, which are more similar to the actual DRX process during hot deformation. PMID:29342080

Comparisons of Different Models on Dynamic Recrystallization of Plate during Asymmetrical Shear Rolling.

PubMed

Zhang, Tao; Li, Lei; Lu, Shi-Hong; Gong, Hai; Wu, Yun-Xin

2018-01-17

Asymmetrical shear rolling with velocity asymmetry and geometry asymmetry is beneficial to enlarge deformation and refine grain size at the center of the thick plate compared to conventional symmetrical rolling. Dynamic recrystallization (DRX) plays a vital role in grain refinement during hot deformation. Finite element models (FEM) coupled with microstructure evolution models and cellular automata models (CA) are established to study the microstructure evolution of plate during asymmetrical shear rolling. The results show that a larger DRX fraction and a smaller average grain size can be obtained at the lower layer of the plate. The DRX fraction at the lower part increases with the ascending speed ratio, while that at upper part decreases. With the increase of the offset distance, the DRX fraction slightly decreases for the whole thickness of the plate. The differences in the DRX fraction and average grain size between the upper and lower surfaces increase with the ascending speed ratio; however, it varies little with the change of the speed ratio. Experiments are conducted and the CA models have a higher accuracy than FEM models as the grain morphology, DRX nuclei, and grain growth are taken into consideration in CA models, which are more similar to the actual DRX process during hot deformation.

Effect of Electric-current Pulses on Grain-structure Evolution in Cryogenically Rolled Copper

DTIC Science & Technology

2014-11-01

4 , however, FIG. 6 . (a) Effect of...Including twins Excluding twins LABs R3a Region 1 1.3 6 1.1 3.7 6 3.9 4 43 Region 2 1.6 6 2.5 6.4 6 6.5 6 44 Region 3 2.6 6 2.3 6.5 6 6.7 4 49 aWithin... 4 orders of magnitude greater than the pulse duration itself. As mentioned in previous work, 6 the cryorolled material was very unstable; i.e., it

Macro-carriers of plastic deformation of steel surface layers detected by digital image correlation

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

Kopanitsa, D. G., E-mail: kopanitsa@mail.ru; Ustinov, A. M., E-mail: artemustinov@mail.ru; Potekaev, A. I., E-mail: potekaev@spti.tsu.ru

2016-01-15

This paper presents a study of characteristics of an evolution of deformation fields in surface layers of medium-carbon low-alloy specimens under compression. The experiments were performed on the “Universal Testing Machine 4500” using a digital stereoscopic image processing system Vic-3D. A transition between stages is reflected as deformation redistribution on the near-surface layers. Electronic microscopy shows that the structure of the steel is a mixture of pearlite and ferrite grains. A proportion of pearlite is 40% and ferrite is 60%.

Effect of micro-oxygenation and wood type on the phenolic composition and color of an aged red wine.

PubMed

Sánchez-Iglesias, Montserrat; González-Sanjosé, Ma Luisa; Pérez-Magariño, Silvia; Ortega-Heras, Miriam; González-Huerta, Carlos

2009-12-23

Many studies have recently been published focused on the effects of micro-oxygenation on the quality of wines, its application modes, and doses, etc. However, there are still few scientific papers on how previously micro-oxygenated wines perform during storage or barrel aging. This study focused on the evolution of the phenolic composition, especially of anthocyanins, and color, together with astringency and tannins, during micro-oxygenation before barrel aging. In addition, to evaluate whether wine evolution during aging depends on barrel type, wines were aged in four different oak barrel types. Tempranillo wines, some micro-oxygenated before malolactic fermentation and others not, were aged for 12 months in American, French, Central European, and Spanish oak, following wine evolution during that period. The study was carried out for two consecutive vintages. Results showed that all wines evolved similarly; therefore, the micro-oxygenation treatment neither accelerated nor delayed the typical changes of aging. Slightly different evolutions were detected according to the barrel wood type, whether or not the wine was micro-oxygenated. The varied evolutions must therefore be associated with the differences from each oak type (structure, grain and density, composition, etc.).

Early formation of preferential flow in a homogeneous snowpack observed by micro-CT

NASA Astrophysics Data System (ADS)

Avanzi, Francesco; Petrucci, Giacomo; Matzl, Margret; Schneebeli, Martin; De Michele, Carlo

2017-05-01

We performed X-ray microtomographic observations of wet-snow metamorphism during controlled continuous melting and melt-freeze events in the laboratory. Three blocks of snow were sieved into boxes and subjected to cyclic, superficial heating or heating-cooling to reproduce vertical water infiltration patterns in snow similarly to natural conditions. Periodically, samples were taken at different heights and scanned. Results suggest that wet-snow metamorphism dynamics are highly heterogeneous even in an initially homogeneous snowpack. Consistent with previous work, we observed an increase with time in the thickness of the ice structure, which is a measure of grain size. However, this was coupled with large temporal scatter between consecutive measurements of the specific surface area and of the statistical moments of grain thickness distributions. Because of marked differences in the right tail, grain thickness distributions did not show shape invariance with time, contrary to previous analyses. In our experiments, wet-snow metamorphism showed two strikingly different patterns: homogeneous coarsening superimposed by faster heterogeneous coarsening in areas that were affected by preferential percolation of water. Liquid water movement in snow and fast structural evolution may be thus intrinsically coupled by early formation of preferential flow at local scale. These observations suggest that further experiments are highly needed to fully understand wet-snow metamorphism and infiltration patterns in a natural snowpack.

Chemical Evolution of Protostellar Matter

NASA Technical Reports Server (NTRS)

Langer, William D.; vanDishoeck, Ewine F.; Bergin, Edwin A.; Blake, Geoffrey A.; Tielens, Alexander G. G. M.; Velusamy, Thangasamy; Whittet, Douglas C. B.

2000-01-01

We review the chemical processes that are important in the evolution from a molecular cloud core to a protostellar disk. These cover both gas phase and gas grain interactions. The current observational and theoretical state of this field are discussed.

Room-Temperature and High-Temperature Tensile Mechanical Properties of TA15 Titanium Alloy and TiB Whisker-Reinforced TA15 Matrix Composites Fabricated by Vacuum Hot-Pressing Sintering

PubMed Central

Feng, Yangju; Zhang, Wencong; Zeng, Li; Cui, Guorong; Chen, Wenzhen

2017-01-01

In this paper, the microstructure, the room-temperature and high-temperature tensile mechanical properties of monolithic TA15 alloy and TiB whisker-reinforced TA15 titanium matrix composites (TiBw/TA15) fabricated by vacuum hot-pressing sintering were investigated. The microstructure results showed that there were no obvious differences in the microstructure between monolithic TA15 alloy and TiBw/TA15 composites, except whether or not the grain boundaries contained TiBw. After sintering, the matrix microstructure presented a typical Widmanstätten structure and the size of primary β grain was consistent with the size of spherical TA15 titanium metallic powders. This result demonstrated that TiBw was not the only factor limiting grain coarsening of the primary β grain. Moreover, the grain coarsening of α colonies was obvious, and high-angle grain boundaries (HAGBs) were distributed within the primary β grain. In addition, TiBw played an important role in the microstructure evolution. In the composites, TiBw were randomly distributed in the matrix and surrounded by a large number of low-angle grain boundaries (LAGBs). Globularization of α phase occurred prior, near the TiBw region, because TiBw provided the nucleation site for the equiaxed α phase. The room-temperature and high-temperature tensile results showed that TiBw distributed at the primary β grain boundaries can strengthen the grain boundary, but reduce the connectivity of the matrix. Therefore, compared to the monolithic TA15 alloy fabricated by the same process, the tensile strength of the composites increased, and the tensile elongation decreased. Moreover, with the addition of TiBw, the fracture mechanism was changed to a mixture of brittle fracture and ductile failure (composites) from ductile failure (monolithic TA15 alloy). The fracture surfaces of TiBw/TA15 composites were the grain boundaries of the primary β grain where the majority of TiB whiskers distributed, i.e., the surfaces of the spherical TA15 titanium metallic powders. PMID:28772786

3D granulometry: grain-scale shape and size distribution from point cloud dataset of river environments

NASA Astrophysics Data System (ADS)

Steer, Philippe; Lague, Dimitri; Gourdon, Aurélie; Croissant, Thomas; Crave, Alain

2016-04-01

The grain-scale morphology of river sediments and their size distribution are important factors controlling the efficiency of fluvial erosion and transport. In turn, constraining the spatial evolution of these two metrics offer deep insights on the dynamics of river erosion and sediment transport from hillslopes to the sea. However, the size distribution of river sediments is generally assessed using statistically-biased field measurements and determining the grain-scale shape of river sediments remains a real challenge in geomorphology. Here we determine, with new methodological approaches based on the segmentation and geomorphological fitting of 3D point cloud dataset, the size distribution and grain-scale shape of sediments located in river environments. Point cloud segmentation is performed using either machine-learning algorithms or geometrical criterion, such as local plan fitting or curvature analysis. Once the grains are individualized into several sub-clouds, each grain-scale morphology is determined using a 3D geometrical fitting algorithm applied on the sub-cloud. If different geometrical models can be conceived and tested, only ellipsoidal models were used in this study. A phase of results checking is then performed to remove grains showing a best-fitting model with a low level of confidence. The main benefits of this automatic method are that it provides 1) an un-biased estimate of grain-size distribution on a large range of scales, from centimeter to tens of meters; 2) access to a very large number of data, only limited by the number of grains in the point-cloud dataset; 3) access to the 3D morphology of grains, in turn allowing to develop new metrics characterizing the size and shape of grains. The main limit of this method is that it is only able to detect grains with a characteristic size greater than the resolution of the point cloud. This new 3D granulometric method is then applied to river terraces both in the Poerua catchment in New-Zealand and along the Laonong river in Taiwan, which point clouds were obtained using both terrestrial lidar scanning and structure from motion photogrammetry.

Room-Temperature and High-Temperature Tensile Mechanical Properties of TA15 Titanium Alloy and TiB Whisker-Reinforced TA15 Matrix Composites Fabricated by Vacuum Hot-Pressing Sintering.

PubMed

Feng, Yangju; Zhang, Wencong; Zeng, Li; Cui, Guorong; Chen, Wenzhen

2017-04-18

In this paper, the microstructure, the room-temperature and high-temperature tensile mechanical properties of monolithic TA15 alloy and TiB whisker-reinforced TA15 titanium matrix composites (TiBw/TA15) fabricated by vacuum hot-pressing sintering were investigated. The microstructure results showed that there were no obvious differences in the microstructure between monolithic TA15 alloy and TiBw/TA15 composites, except whether or not the grain boundaries contained TiBw. After sintering, the matrix microstructure presented a typical Widmanstätten structure and the size of primary β grain was consistent with the size of spherical TA15 titanium metallic powders. This result demonstrated that TiBw was not the only factor limiting grain coarsening of the primary β grain. Moreover, the grain coarsening of α colonies was obvious, and high-angle grain boundaries (HAGBs) were distributed within the primary β grain. In addition, TiBw played an important role in the microstructure evolution. In the composites, TiBw were randomly distributed in the matrix and surrounded by a large number of low-angle grain boundaries (LAGBs). Globularization of α phase occurred prior, near the TiBw region, because TiBw provided the nucleation site for the equiaxed α phase. The room-temperature and high-temperature tensile results showed that TiBw distributed at the primary β grain boundaries can strengthen the grain boundary, but reduce the connectivity of the matrix. Therefore, compared to the monolithic TA15 alloy fabricated by the same process, the tensile strength of the composites increased, and the tensile elongation decreased. Moreover, with the addition of TiBw, the fracture mechanism was changed to a mixture of brittle fracture and ductile failure (composites) from ductile failure (monolithic TA15 alloy). The fracture surfaces of TiBw/TA15 composites were the grain boundaries of the primary β grain where the majority of TiB whiskers distributed, i.e., the surfaces of the spherical TA15 titanium metallic powders.

Morphology-Dependent Hardness of Cr7C3-Ni-Rich Alloy Composite vs Orientation Independent Hardness of Cr7C3 Primary Phase in a Laser Clad Microstructure

NASA Astrophysics Data System (ADS)

Venkatesh, Lakshmi Narayanan; Suresh Babu, Pitchuka; Gundakaram, Ravi Chandra; Doherty, Roger D.; Joshi, Shrikant V.; Samajdar, Indradev

2017-04-01

Microstructural evolution with superheating was studied in chromium carbide-nickel coatings deposited by laser cladding. At lower superheating, selective growth of <0001> direction from the high density of Cr7C3 grains nucleated resulted in a columnar structure with (0001) texture. Increased superheating lead to the loss of columnar structure as well as the (0001) texture. The hexagonal Cr7C3 showed an unusual isotropic nanoindentation hardness evidently correlated with its low c/ a ratio. However, the rod-like morphology of the carbide dendrites resulted in significant anisotropy in the hardness of the composite.

Crystallization dynamics on curved surfaces

NASA Astrophysics Data System (ADS)

García, Nicolás A.; Register, Richard A.; Vega, Daniel A.; Gómez, Leopoldo R.

2013-07-01

We study the evolution from a liquid to a crystal phase in two-dimensional curved space. At early times, while crystal seeds grow preferentially in regions of low curvature, the lattice frustration produced in regions with high curvature is rapidly relaxed through isolated defects. Further relaxation involves a mechanism of crystal growth and defect annihilation where regions with high curvature act as sinks for the diffusion of domain walls. The pinning of grain boundaries at regions of low curvature leads to the formation of a metastable structure of defects, characterized by asymptotically slow dynamics of ordering and activation energies dictated by the largest curvatures of the system. These glassylike ordering dynamics may completely inhibit the appearance of the ground-state structures.

Evolution of mare basalts - The complexity of the U-Th-Pb system

NASA Technical Reports Server (NTRS)

Unruh, D. M.; Tatsumoto, M.

1977-01-01

An attempt has been made to gain more insight into mare-basalt evolution by performing a very detailed leaching and mineral-separation U-Th-Pb systematics study on mare basalt 15085. It is found that about 20-50% of the U, Th, and Pb reside on the grain boundaries or in the mesostasis and that the Pb-207/Pb-206 ratios of the grain boundaries and crystal interiors are distinctly different. These distinct trends appear to represent either continuous or episodic postcrystallizational disturbances to the U-Th-Pb system of this rock. Using U and Pb partition coefficients, it is concluded that existing two- and three-stage U-Pb evolution models do not accurately describe mare-basalt genesis. An alternative two-stage + KREEP mixing model is proposed as a simple approximation to U-Pb evolution in lunar rocks. Most Rb-Sr and Sm-Nd data are compatible with this model.

A Study on the Characteristics of the Structure of Vega's Debris Disk

NASA Astrophysics Data System (ADS)

Lu, T.; Ji, J. H.

2013-03-01

Clumpy structure in the Vega's debris disk has been previously reported at millimeter wavelengths and attributed to the concentrations of dust grains trapped in resonances with a potential planet. However, current imaging at multi-wavelengths with higher sensitivity is against the former observed structure. The disk is now revealed to have a smooth structure. A planet orbiting Vega could not be neglected,but the present-day observations may place a severe constraint on the orbital parameters for the potential planet. Herein, we utilize modified MERCURY codes to numerically simulate Vega system, consisting of debris disk and a planet. In our simulations, the initial inner and outer boundaries of the debris disk are assumed to be 80~AU and 120~AU, respectively. The radius of dust grains distributes in the range from 10 μm to 100 μm, in nearly coplanar orbits. From the outcomes, we show that the evolution of debris disk is consistent with recent observations, if there is no planet orbiting Vega. However, if Vega owns a planet with a high eccentricity (e.g., e=0.6), the planetary semi-major axis cannot be larger than 60~AU, otherwise, the structure of debris disk will congregate due to the existence of the postulated planet. The 2:1 mean motion resonances may play a significant role in sculpting the debris disk.

Mapping forces in a 3D elastic assembly of grains

NASA Astrophysics Data System (ADS)

Saadatfar, Mohammad; Sheppard, Adrian P.; Senden, Tim J.; Kabla, Alexandre J.

2012-01-01

Our understanding of the elasticity and rheology of disordered materials, such as granular piles, foams, emulsions or dense suspensions relies on improving experimental tools to characterise their behaviour at the particle scale. While 2D observations are now routinely carried out in laboratories, 3D measurements remain a challenge. In this paper, we use a simple model system, a packing of soft elastic spheres, to illustrate the capability of X-ray microtomography to characterise the internal structure and local behaviour of granular systems. Image analysis techniques can resolve grain positions, shapes and contact areas; this is used to investigate the material's microstructure and its evolution upon strain. In addition to morphological measurements, we develop a technique to quantify contact forces and estimate the internal stress tensor. As will be illustrated in this paper, this opens the door to a broad array of static and dynamical measurements in 3D disordered systems.

Determination and controlling of grain structure of metals after laser incidence: Theoretical approach

PubMed Central

Dezfoli, Amir Reza Ansari; Hwang, Weng-Sing; Huang, Wei-Chin; Tsai, Tsung-Wen

2017-01-01

There are serious questions about the grain structure of metals after laser melting and the ways that it can be controlled. In this regard, the current paper explains the grain structure of metals after laser melting using a new model based on combination of 3D finite element (FE) and cellular automaton (CA) models validated by experimental observation. Competitive grain growth, relation between heat flows and grain orientation and the effect of laser scanning speed on final micro structure are discussed with details. Grains structure after laser melting is founded to be columnar with a tilt angle toward the direction of the laser movement. Furthermore, this investigation shows that the grain orientation is a function of conduction heat flux at molten pool boundary. Moreover, using the secondary laser heat source (SLHS) as a new approach to control the grain structure during the laser melting is presented. The results proved that the grain structure can be controlled and improved significantly using SLHS. Using SLHS, the grain orientation and uniformity can be change easily. In fact, this method can help us to produce materials with different local mechanical properties during laser processing according to their application requirements. PMID:28134347

Computational Modeling of Microstructural-Evolution in AISI 1005 Steel During Gas Metal Arc Butt Welding

DTIC Science & Technology

2013-05-01

of ferrite possessing an acicular/ lenticular -plate morphology which grows into the untrans- formed austenite from the austenite/austenite grain...ferrite and lenticular -shaped Wid- manstatten plates advancing from the allotriomorphic ferrite/ austenite interfaces toward the grain centers is depicted

Thermal and temporal evolution of microstructure in polycrystalline ZnO

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

Kondal, Neha; Tiwari, Sanjiv Kumar, E-mail: sanjivkumar.tiwari@juit.ac.in

2016-05-06

Tug between electronics and spintronics has opened up new area of research named as dilute magnetic semiconductors (DMS), ZnO is one of the most reliable candidates for spintronic devices and DMS. Since, pure and transition metal doped polycrystalline ZnO shows room temperature ferromagnetism, therefore it is very important to gain insight into its microstructure (MS) evolution. We report thermal evolution of MS of pure ZnO on sintering it at 200 °C, 400 °C, 600 °C, and 800 °C in ambient atmosphere for two hours. Temporal evolution at fixed temperature was analyzed using mean field model of internal energy and entropy.more » Grain size of ZnO MS were analyzed using integral breadth method of X-ray diffraction (XRD) lines using Voigt profile fit,. XRD line corresponding to [101] plane shifts from 36.17° to 36.28° whereas grain size increases from 67.5 nm to 93.7 nm with increase of temperature from 23°C to 800°C respectively. Grain growth with increase of temperature show Arrhenius type behavior with activation energy of 30.77 kJ-mol{sup −1} and temporal growth shows diffusive behavior with exponent 0.5.« less

Influence of modes of metal transfer on grain structure and direction of grain growth in low nickel austenitic stainless steel weld metals

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

Mukherjee, Manidipto; Saha, Saptarshi; Pal, Tapan Kumar, E-mail: tkpal.ju@gmail.com

2015-04-15

The present study elaborately discussed the effect of different modes of metal transfer (i.e., short circuit mode, spray mode and pulse mode) on grain structure and direction of grain growth in low nickel austenitic stainless steel weld metals. Electron backscattered diffraction (EBSD) analysis was used to study the grain growth direction and grain structure in weld metals. The changes in grain structure and grain growth direction were found to be essentially varied with the weld pool shape and acting forces induced by modes of metal transfer at a constant welding speed. Short circuit mode of metal transfer owing to highermore » Marangoni force (M{sub a}) and low electromagnetic force (R{sub m}) promotes the lower weld pool volume (Γ) and higher weld pool maximum radius (r{sub m}). Short circuit mode also shows curved and tapered columnar grain structures and the grain growth preferentially occurred in <001> direction. In contrast, spray mode of metal transfer increases the Γ and reduces the r{sub m} values due to very high R{sub m} and typically reveals straight and broad columnar grain structures with preferential growth direction in <111>. In the pulse mode of metal transfer relatively high M{sub a} and R{sub m} simultaneously increase the weld pool width and the primary penetration which might encourage relatively complex grain growth directions in the weld pool and cause a shift of major intensity from <001> to <111> direction. It can also be concluded that the fusion zone grain structure and direction of grain growth are solely dependent on modes of metal transfer and remain constant for a particular mode of metal transfer irrespective of filler wire used. - Highlights: • Welded joints of LNiASS were prepared by varying modes of metal transfer. • Weld pool shape, grain structure and grain growth direction were studied. • Short circuit mode shows curved and tapered grain growth in <001> direction. • Spray mode shows straight and broad columnar grain growth in <111> direction. • Pulse mode shows complex grain growth with a shift in growth direction.« less

A coarse-grained biophysical model of sequence evolution and the population size dependence of the speciation rate

PubMed Central

Khatri, Bhavin S.; Goldstein, Richard A.

2015-01-01

Speciation is fundamental to understanding the huge diversity of life on Earth. Although still controversial, empirical evidence suggests that the rate of speciation is larger for smaller populations. Here, we explore a biophysical model of speciation by developing a simple coarse-grained theory of transcription factor-DNA binding and how their co-evolution in two geographically isolated lineages leads to incompatibilities. To develop a tractable analytical theory, we derive a Smoluchowski equation for the dynamics of binding energy evolution that accounts for the fact that natural selection acts on phenotypes, but variation arises from mutations in sequences; the Smoluchowski equation includes selection due to both gradients in fitness and gradients in sequence entropy, which is the logarithm of the number of sequences that correspond to a particular binding energy. This simple consideration predicts that smaller populations develop incompatibilities more quickly in the weak mutation regime; this trend arises as sequence entropy poises smaller populations closer to incompatible regions of phenotype space. These results suggest a generic coarse-grained approach to evolutionary stochastic dynamics, allowing realistic modelling at the phenotypic level. PMID:25936759

Pore and grain boundary migration under a temperature gradient: A phase-field model study

DOE PAGES

Biner, S. B.

2016-03-16

In this study, the collective migration behavior of pores and grain boundaries under a temperature gradient is studied for simple single crystal, bi-crystal and polycrystal configurations with a phase-field model formulism. For simulation of the microstructure of solids, composed of pores and grain boundaries, the results indicate that not only the volume fraction of pores, but also its spatial partitioning between the grain boundary junctions and the grain boundary segments appears to be important. In addition to various physical properties, the evolution kinetics, under given temperature gradients, will be strongly influenced with the initial morphology of a poly-crystalline microstructure.

Annealing Effects on Microstructure and Mechanical Properties of Ultrafine-Grained Al Composites Reinforced with Nano-Al2O3 by Rotary Swaging

NASA Astrophysics Data System (ADS)

Chen, Cunguang; Wang, Wenwen; Guo, Zhimeng; Sun, Chunbao; Volinsky, Alex A.; Paley, Vladislav

2018-03-01

Microstructure evolution and variations in mechanical properties of Al-Al2O3 nanocomposite produced by powder metallurgy were investigated and compared with commercially pure aluminum (Al-1050) after furnace annealing. Fine gas-atomized Al powder compacts were first sintered in flowing nitrogen, subsequently consolidated into wires by rotary swaging and eventually annealed at 300 and 500 °C for 24 h each. Scanning and transmission electron microscopy with energy-dispersive spectroscopy was utilized to document the microstructure evolution. Rotary swaging was proven to lead to a marked decrease in grain size. After heavy swaging to true deformation degree of φ = 6 and annealing at 500 °C, obvious recrystallization was observed at Al-1050's existing grain boundaries and the crystals began to grow perpendicular to the flow direction. In the Al-Al2O3 nanocomposite, fabricated from d 50 = 6 μm Al powder, recrystallization partially occurred, while grains were still extremely fine. Due to the dual role of fine-grained Al2O3 dispersion strengthening, the nanocomposite showed improved mechanical performance in terms of tensile strength, approximately twice higher than Al-1050 after annealing at 500 °C.

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

PubMed

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

2017-06-07

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

Computational study of dislocation based mechanisms in FCC materials

NASA Astrophysics Data System (ADS)

Yellakara, Ranga Nikhil

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

Anisotropic grain growth and modification of 'frozen texture' in the lithospheric mantle

NASA Astrophysics Data System (ADS)

Boneh, Yuval; Wallis, David; Hansen, Lars; Krawczynski, Mike; Skemer, Philip

2017-04-01

Seismic anisotropy is widely observed in both the lithospheric and asthenospheric upper mantle, and is mainly caused by flow-induced alignment of anisotropic olivine crystals. Crystallographic preferred orientation (CPO) in the asthenosphere is thought to reflect the dynamics of current mantle flow. In contrast, the lithosphere is relatively viscous, and, it is assumed that texture in the lithosphere retains a memory of past flow (e.g., lithospheric mantle in an oceanic basin preserves texture that originated from corner flow at the mid-oceanic-ridge). Although the viscosity of the lithosphere is high in comparison to the asthenosphere, temperatures are high enough that non-deformational, microstructural processes may still be significant for texture evolution. Here we use an experimental approach to simulate a textured mantle annealed under high temperature, high pressure, and hydrostatic conditions, in order to investigate whether microstructural evolution due to static annealing could modify texture in the lithospheric mantle. Starting material for the experiments was a synthetic Fo50 olivine aggregate that was previously deformed in torsion (Hansen et al., 2016) to shear strains up to 10. The sample has a mean grain-size of 15 microns and a narrow, unimodal grain-size distribution, high dislocation-densities, and exhibits a strong A-type CPO. Sub-samples of the deformed specimen were annealed under hydrostatic conditions using a piston cylinder apparatus at T = 1250° C, P = 1 GPa for up to one week. After annealing, the samples were cut into thin sections and the crystal orientations were measured by electron backscatter diffraction (EBSD). The samples show clear evidence for abnormal grain growth due to annealing (with maximum grain sizes of 1 mm). The abnormally large grains grew at the expense of the smaller matrix grains, and grain-size distributions became distinctly bimodal. The small grains not consumed by abnormal grain growth have similar CPO strength, symmetry, and orientation compared with the starting material's CPO. The orientation of the abnormally large grains is typically 10-30 degrees away from the original CPO on the X-Z plane. This observation is consistent with predictions that abnormal grain growth favors grains with low initial Schmid factors. Seismic anisotropy of both deformed and annealed mantle layers were calculated and compared. We conclude that reorientation and weakening of olivine CPO is expected during periods of tectonic quiescence, which will modify the anisotropic signature imposed during the primary deformation event. Hansen, L.N., Warren, J.M., Zimmerman, M.E., Kohlstedt, D.L., 2016. Viscous anisotropy of textured olivine aggregates, Part 1: Measurement of the magnitude and evolution of anisotropy. Earth and Planetary Science Letters 445, 92-103.

Irradiation-induced grain growth and defect evolution in nanocrystalline zirconia with doped grain boundaries

DOE PAGES

Dey, Sanchita; Mardinly, John; Wang, Yongqiang; ...

2016-05-27

Grain boundaries are effective sinks for radiation-induced defects, ultimately impacting the radiation tolerance of nanocrystalline materials (dense materials with nanosized grains) against net defect accumulation. However, irradiation-induced grain growth leads to grain boundary area decrease, shortening potential benefits of nanostructures. A possible approach to mitigate this is the introduction of dopants to target a decrease in grain boundary mobility or a reduction in grain boundary energy to eliminate driving forces for grain growth (using similar strategies as to control thermal growth). Here, in this study, we tested this concept in nanocrystalline zirconia doped with lanthanum. Although the dopant is observedmore » to segregate to the grain boundaries, causing grain boundary energy decrease and promoting dragging forces for thermally activated boundary movement, irradiation induced grain growth could not be avoided under heavy ion irradiation, suggesting a different growth mechanism as compared to thermal growth. Furthermore, it is apparent that reducing the grain boundary energy reduced the effectiveness of the grain boundary as sinks, and the number of defects in the doped material is higher than in undoped (La-free) YSZ.« less

Impurity incorporation, deposition kinetics, and microstructural evolution in sputtered Ta films

NASA Astrophysics Data System (ADS)

Whitacre, Jay Fredric

There is an increasing need to control the microstructure in thin sputtered Ta films for application as high-temperature coatings or diffusion barriers in microelectronic interconnect structures. To this end, the relationship between impurity incorporation, deposition kinetics, and microstructural evolution was examined for room-temperature low growth rate DC magnetron sputtered Ta films. Impurity levels present during deposition were controlled by pumping the chamber to various base pressures before growth. Ar pressures ranging from 2 to 20 mTorr were used to create contrasting kinetic environments in the sputter gas. This affected both the distribution of adatom kinetic energies at the substrate as well as the rate of impurity desorption from the chamber walls: at higher Ar pressures adatoms has lower kinetic energies, and there was an increase in impurity concentration. X-ray diffraction, high-resolution transmission electron microscopy (HREM), transmission electron diffraction (TED), scanning electron microscopy (SEM), secondary ion mass spectrometry (SIMS), and x-ray photoelectron. spectroscopy (XPS) were used to examine film crystallography, microstructure, and composition. A novel laboratory-based in-situ x-ray diffractometer was constructed. This new set-up allowed for the direct observation of microstructural evolution during growth. Films deposited at increasingly higher Ar pressures displayed a systematic decrease in grain size and degree of texturing, while surface morphology was found to vary from a nearly flat surface to a rough surface with several length scales of organization. In-situ x-ray results showed that the rate of texture evolution was found to be much higher in films grown using lower Ar pressures. These effects were studied in films less than 200 A thick using high resolution x-ray diffraction in conjunction with a synchrotron light source (SSRL B.L. 7-2). Films grown using higher Ar pressures (above 10 mTorr) with a pre-growth base pressure of 1 x 10--6 Torr had grains less than 10 nm in diameter and significant amorphous content Calculated radial distribution functions show a significant increase in average inter-atomic spacing in films grown using higher base pressures and Ar pressures. The amorphous content in the films was determined via comparison between ideal crystalline diffraction patterns and actual data. Thinner films grown at higher Ar pressures had relatively greater amorphous content. Real-time process control using the in-situ diffractometer was also demonstrated. The effects observed are discussed in the context of previous theories and experiments that document room-temperature sputter film growth. The changes in film microstructure observed were impurity mediated. Specifically, oxygen desorbed from the chamber walls during growth were incorporated into the film and subsequently limited grain development and texturing. A second phase consisting of amorphous Ta2O5 formed between the grain nuclei. Adatom kinetics played a role in determining surface morphology: at low Ar pressures (2 mTorr) significant adatom kinetic energies served to flattened the film surface, though impurity levels dominated grain development even in these conditions.

Microstructural characterization of ultrasonic impact treated aluminum-magnesium alloy

NASA Astrophysics Data System (ADS)

Tran, Kim Ngoc Thi

Aluminum 5456-H116 has high as-welded strength, is formable, and highly corrosion resistant, however, it can become sensitized when exposed to elevated temperatures for a prolonged time. Sensitization results in the formation of a continuous β phase at the grain boundaries that is anodic to the matrix. Thus the grain boundaries become susceptible to stress corrosion cracking (SCC) and intergranular corrosion cracking (IGC). Cracking issues on aluminum superstructures have prompted the use of a severe plastic deformation processes, such as ultrasonic impact treatment (UIT), to improve SCC resistance. This study correlated the effects of UIT on the properties of 5456-H116 alloy to the microstructural evolution of the alloy and helped develop a fundamental understanding of the mechanisms that cause the microstructural evolution. Ultrasonic impact treatment produces a deformed layer at the surface ˜ 10 to 18 µm thick that is characterized by micro-cracks, tears, and voids. Ultrasonic impact treatment results in grain refinement within the deformation layer and extending below the deformed layer. The microstructure exhibits weak crystallographic texture with larger fraction of high angle grain boundaries. Nanocrystalline grains within the deformation layer vary in size from 2 to 200 nm in diameter and exhibit curved or wavy grain boundaries. The nanocrystalline grains are thermally stable up to 300°C. Above 300°C, grain growth occurs with an activation energy of ˜ 32 kJ/mol. Below the deformation layer, the microstructure is characterized by submicron grains, complex structure of dislocations, sub-boundaries, and Moiré fringes depicting overlapping grains. The deformation layer does not exhibit the presence of a continuous β phase, however below the deformation layer; a continuous β phase along the grain boundaries is present. In general the highest hardness and yield strength is at the UIT surface which is attributed to the formation of nanocrystalline grains. Although the highest hardness and yield strength was observed at the UIT surface, the results were mixed with some lower values. The lower hardness and yield strength values at the UIT surface are attributed to the voids and micro cracking/micro voids observed in the deformation layer. The fracture mode was transgranular ductile fracture with micro void coalescence and dimples. Both UIT and untreated material exhibit similar levels of intergranular corrosion susceptibility. Corrosive attack was intergranular with slightly deeper attack in the untreated material. Numerical simulation modeling showed that the calculated residual stress under the tool, ˜80 MPa, is of the same order of magnitude as the compressive residual stresses measured by XRD measurements near the surface. Modeling also showed that high effective strains were induced almost immediately. The UIT process also resulted in rapid localized heating to a maximum temperature of ˜32°C during the first eleven pin tool cycles. The model also showed that during UIT processing, the material undulates as the pin tool impacts and retracts from the surface of the material. The undulations represent the elastic response of the surface to the compressive stresses built up during a pin tool cycle.

A More Fine-Grained Measure of Students' Acceptance of Evolution: Development of the Inventory of Student Evolution Acceptance--I-SEA

ERIC Educational Resources Information Center

Nadelson, Louis S.; Southerland, Sherry

2012-01-01

The potential influences of affective perceptions on cognitive engagement in learning, particularly with emotionally charged topics such as evolution, provide justification for acknowledging and assessing learners' attitudes toward content. One approach to determining students' attitudes toward a construct is to explicitly ask them to what degree…

Dynamic Grain Growth in Forsterite Aggregates Experimentally Deformed to High Strain

NASA Astrophysics Data System (ADS)

Kellermann Slotemaker, A.; de Bresser, H.; Spiers, C.; Drury, M.

2004-12-01

The dynamics of the outer Earth are largely controlled by olivine rheology. From previous work it has become clear that if olivine rocks are deformed to high strain, substantial weakening may occur before steady state mechanical behaviour is approached. This weakening appears directly related to progressive modification of the grain size distribution through competing effects of dynamic recrystallization and syn-deformational grain growth. However, most of our understanding of these processes in olivine comes from tests on coarse-grained materials that were reduced in grain size during straining by grain size insensitive (dislocation) creep mechanisms. The aim of the present study was to investigate microstructure evolution of fine-grained olivine rocks that coarsen in grain size while deforming by grain size sensitive (GSS) creep. We used fine-grained (~1 μ m) olivine aggregates (i.e., forsterite/Mg2SiO4), containing ~0.5 wt% water and 10 vol% enstatite (MgSiO3). Two types of experiments were carried out: 1) Hot isostatic pressing (HIP) followed by axial compression to varying strains up to a maximum of ~45%, at 600 MPa confining pressure and a temperature of 950°C, 2) HIP treatment without axial deformation. Microstructures were characterized by analyzing full grain size distributions and texture using SEM/EBSD. Our stress-strain curves showed continuous hardening. When samples were temporally unloaded for short time intervals, no difference in flow stress was observed before and after the interruption in straining. Strain rate sensitivity analysis showed a low value of ~1.5 for the stress exponent n. Measured grain sizes show an increase with strain up to a value twice that of the starting value. HIP-only samples showed only minor increase in grain size. A random LPO combined with the low n ~1.5 suggests dominant GSS creep controlled by grain boundary sliding. These results indicate that dynamic grain growth occurs in forsterite aggregates deforming by GSS creep, and we relate the continuous strain hardening to this process. A dynamic grain growth model involving an increase in cellular defect fraction seems best applicable to the grain growth observed in this study. We suggest that the employment of this model to fine-grained olivine rocks can further improve our understanding of the microstructural evolution of this material and related rheological behaviour.

Effects of disc mid-plane evolution on CO snowline location

NASA Astrophysics Data System (ADS)

Panić, O.; Min, M.

2017-05-01

Temperature changes in the planet forming disc mid-planes carry important physico-chemical consequences, such as the effect on the locations of the condensation fronts of molecules - the snowlines. Snowlines impose major chemical gradients and possibly foster grain growth. The aim of this paper is to understand how disc mid-plane temperature changes with gas and dust evolution, and identify trends that may influence planet formation or allow to constrain disc evolution observationally. We calculate disc temperature, hydrostatic equilibrium and dust settling in a mutually consistent way from a grid of disc models at different stages of gas loss, grain growth and hole opening. We find that the CO snowline location depends very strongly on disc properties. The CO snowline location migrates closer to the star for increasing degrees of gas dispersal and dust growth. Around a typical A-type star, the snowline can be anywhere between several tens and a few hundred au, depending on the disc properties such as gas mass and grain size. In fact, gas loss is as efficient as dust evolution in settling discs, and flat discs may be gas-poor counterparts of flared discs. Our results, in the context of different pre-main-sequence evolution of the luminosity in low- and intermediate-mass stars suggest very different thermal (and hence chemical) histories in these two types of discs. Discs of T Tauri stars settle and cool down, while discs of Herbig Ae stars may remain rather warm throughout the pre-main sequence.

Research Report to the National Aeronautics and Space Administration Cosmochemistry Program

NASA Technical Reports Server (NTRS)

Alexander, Conel O'D.

2004-01-01

The discovery of presolar grains in meteorites is one of the most exciting recent developments in meteoritics. Six types of presolar grain have been discovered: diamond, Sic, graphite, Si3N4, Al2O3 and MgAl2O4 (NIITLER, 2003). These grains have been identified as presolar because their isotopic compositions are very different from those of Solar System materials. Comparison of their isotopic compositions with astronomical observations and theoretical models indicates that most of the grains formed in the envelopes of highly evolved stars. They are, therefore, a new source of information with which to test astrophysical models of the evolution of these stars. In fact, because several elements can often be measured in the same grain, including elements that are not measurable spectroscopically in stars, the grain data provide some very stringent constraints for these models. Our primary goal is to create large, unbiased, multi-isotope databases of single presolar Sic, Si3N4, oxide and graphite grains in meteorites, as well as any new presolar grain types that are identified in the future. These will be used to: (i) test stellar and nucleosynthetic models, (ii) constrain the galactic chemical evolution (GCE) paths of the isotopes of Si, Ti, O and Mg, (iii) establish how many stellar sources contributed to the Solar System, (iv) constrain relative dust production rates of various stellar types and (v) assess how representative of galactic dust production the record in meteorites is. The primary tool for this project is a highly automated grain analysis system on the Carnegie 6f ion probe. This proposal was part of a long-standing research effort that is still ongoing.

Intergranular Strain Evolution During Biaxial Loading: A Multiscale FE-FFT Approach

NASA Astrophysics Data System (ADS)

Upadhyay, M. V.; Capek, J.; Van Petegem, S.; Lebensohn, R. A.; Van Swygenhoven, H.

2017-05-01

Predicting the macroscopic and microscopic mechanical response of metals and alloys subjected to complex loading conditions necessarily requires a synergistic combination of multiscale material models and characterization techniques. This article focuses on the use of a multiscale approach to study the difference between intergranular lattice strain evolution for various grain families measured during in situ neutron diffraction on dog bone and cruciform 316L samples. At the macroscale, finite element simulations capture the complex coupling between applied forces and gauge stresses in cruciform geometries. The predicted gauge stresses are used as macroscopic boundary conditions to drive a mesoscale full-field elasto-viscoplastic fast Fourier transform crystal plasticity model. The results highlight the role of grain neighborhood on the intergranular strain evolution under uniaxial and equibiaxial loading.

Sedimentary controls on modern sand grain coat formation

NASA Astrophysics Data System (ADS)

Dowey, Patrick J.; Worden, Richard H.; Utley, James; Hodgson, David M.

2017-05-01

Coated sand grains can influence reservoir quality evolution during sandstone diagenesis. Porosity can be reduced and fluid flow restricted where grain coats encroach into pore space. Conversely pore-lining grain coats can restrict the growth of pore-filling quartz cement in deeply buried sandstones, and thus can result in unusually high porosity in deeply buried sandstones. Being able to predict the distribution of coated sand grains within petroleum reservoirs is thus important to help find good reservoir quality. Here we report a modern analogue study of 12 sediment cores from the Anllóns Estuary, Galicia, NW Spain, collected from a range of sub-environments, to help develop an understanding of the occurrence and distribution of coated grains. The cores were described for grain size, bioturbation and sedimentary structures, and then sub-sampled for electron and light microscopy, laser granulometry, and X-ray diffraction analysis. The Anllóns Estuary is sand-dominated with intertidal sand flats and saltmarsh environments at the margins; there is a shallowing/fining-upwards trend in the estuary-fill succession. Grain coats are present in nearly every sample analysed; they are between 1 μm and 100 μm thick and typically lack internal organisation. The extent of grain coat coverage can exceed 25% in some samples with coverage highest in the top 20 cm of cores. Samples from muddy intertidal flat and the muddy saltmarsh environments, close to the margins of the estuary, have the highest coat coverage (mean coat coverage of 20.2% and 21.3%, respectively). The lowest mean coat coverage occurs in the sandy saltmarsh (10.4%), beyond the upper tidal limit and sandy intertidal flat environments (8.4%), close to the main estuary channel. Mean coat coverage correlates with the concentration of clay fraction. The primary controls on the distribution of fine-grained sediment, and therefore grain coat distribution, are primary sediment transport and deposition processes that concentrate the clay fraction in the sediment towards the margins of the estuary. Bioturbation and clay illuviation/mechanical infiltration are secondary processes that may redistribute fine-grained sediment and produce grain coats. Here we have shown that detrital grain coats are more likely in marginal environments of ancient estuary-fills, which are typically found in the fining-upward part of progradational successions.

Comparisons of Fabric Strength and Development in Polycrystalline Ice at Atmospheric and Basal Hydrostatic Pressures

NASA Astrophysics Data System (ADS)

Breton, Daniel; Baker, Ian; Cole, David

2013-04-01

Understanding and predicting the flow of polycrystalline ice is crucial to ice sheet modeling and paleoclimate reconstruction from ice cores. Ice flow rates depend strongly on the fabric (i.e. the distribution of grain sizes and crystallographic orientations) which evolves over time and enhances the flow rate in the direction of applied stress. The mechanisms for fabric evolution in ice have been extensively studied at atmospheric pressures, but little work has been done to observe these processes at the high pressures experienced deep within ice sheets where long-term changes in ice rheology are expected to have significance. We conducted compressive creep tests to ~10% strain on 917 kg m-3, initially randomly-oriented polycrystalline ice specimens at 0.1 (atmospheric) and 20 MPa (simulating ~2,000 m depth) hydrostatic pressures, performing microstructural analyses on the resulting deformed specimens to characterize the evolution and strength of crystal fabric. Our microstructural analysis technique simultaneously collects grain shape and size data from Scanning Electron Microscope (SEM) micrographs and obtains crystallographic orientation data via Electron BackScatter Diffraction (EBSD). Combining these measurements allows rapid analysis of the ice fabric over large numbers of grains, yielding statistically useful numbers of grain size and orientation data. We present creep and microstructural data to demonstrate pressure-dependent effects on the mechanical and microstructural evolution of polycrystalline ice and discuss possible mechanisms for the observed differences.

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

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

Li, Yulan; Hu, Shenyang; Sun, Xin

Here, complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the phase field method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiatedmore » nuclear materials are reviewed. The review shows that (1) Phase field models can correctly describe important phenomena such as spatial-dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; (2) The phase field method can qualitatively and quantitatively simulate two-dimensional and three-dimensional microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and (3) The Phase field method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the phase field method, as applied to irradiation effects in nuclear materials.« less

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

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

Li, Yulan; Hu, Shenyang; Sun, Xin

Complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field (PF) method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the PF method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiated nuclearmore » materials are reviewed. The review shows that 1) FP models can correctly describe important phenomena such as spatial dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; 2) The PF method can qualitatively and quantitatively simulate 2-D and 3-D microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and 3) The FP method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the PF method, as applied to irradiation effects in nuclear materials.« less

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

DOE PAGES

Li, Yulan; Hu, Shenyang; Sun, Xin; ...

2017-04-14

Here, complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the phase field method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiatedmore » nuclear materials are reviewed. The review shows that (1) Phase field models can correctly describe important phenomena such as spatial-dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; (2) The phase field method can qualitatively and quantitatively simulate two-dimensional and three-dimensional microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and (3) The Phase field method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the phase field method, as applied to irradiation effects in nuclear materials.« less

Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study

DOE PAGES

Xu, Shuozhi; Xiong, Liming; Chen, Youping; ...

2016-01-29

Sequential slip transfer across grain boundaries (GB) has an important role in size-dependent propagation of plastic deformation in polycrystalline metals. For example, the Hall–Petch effect, which states that a smaller average grain size results in a higher yield stress, can be rationalised in terms of dislocation pile-ups against GBs. In spite of extensive studies in modelling individual phases and grains using atomistic simulations, well-accepted criteria of slip transfer across GBs are still lacking, as well as models of predicting irreversible GB structure evolution. Slip transfer is inherently multiscale since both the atomic structure of the boundary and the long-range fieldsmore » of the dislocation pile-up come into play. In this work, concurrent atomistic-continuum simulations are performed to study sequential slip transfer of a series of curved dislocations from a given pile-up on Σ3 coherent twin boundary (CTB) in Cu and Al, with dominant leading screw character at the site of interaction. A Frank-Read source is employed to nucleate dislocations continuously. It is found that subject to a shear stress of 1.2 GPa, screw dislocations transfer into the twinned grain in Cu, but glide on the twin boundary plane in Al. Moreover, four dislocation/CTB interaction modes are identified in Al, which are affected by (1) applied shear stress, (2) dislocation line length, and (3) dislocation line curvature. Our results elucidate the discrepancies between atomistic simulations and experimental observations of dislocation-GB reactions and highlight the importance of directly modeling sequential dislocation slip transfer reactions using fully 3D models.« less

Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study

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

Xu, Shuozhi; Xiong, Liming; Chen, Youping

Sequential slip transfer across grain boundaries (GB) has an important role in size-dependent propagation of plastic deformation in polycrystalline metals. For example, the Hall–Petch effect, which states that a smaller average grain size results in a higher yield stress, can be rationalised in terms of dislocation pile-ups against GBs. In spite of extensive studies in modelling individual phases and grains using atomistic simulations, well-accepted criteria of slip transfer across GBs are still lacking, as well as models of predicting irreversible GB structure evolution. Slip transfer is inherently multiscale since both the atomic structure of the boundary and the long-range fieldsmore » of the dislocation pile-up come into play. In this work, concurrent atomistic-continuum simulations are performed to study sequential slip transfer of a series of curved dislocations from a given pile-up on Σ3 coherent twin boundary (CTB) in Cu and Al, with dominant leading screw character at the site of interaction. A Frank-Read source is employed to nucleate dislocations continuously. It is found that subject to a shear stress of 1.2 GPa, screw dislocations transfer into the twinned grain in Cu, but glide on the twin boundary plane in Al. Moreover, four dislocation/CTB interaction modes are identified in Al, which are affected by (1) applied shear stress, (2) dislocation line length, and (3) dislocation line curvature. Our results elucidate the discrepancies between atomistic simulations and experimental observations of dislocation-GB reactions and highlight the importance of directly modeling sequential dislocation slip transfer reactions using fully 3D models.« less

Modeling Slip System Strength Evolution in Ti 7Al Informed by In situ Grain Stress Measurements (Postprint)

DTIC Science & Technology

2017-02-17

time for the tomography and diffraction sweeps was approximately 42 min. In a typical quasi -static in-situ experiment, loading is halted and the...data is used to extract individual grain- average stress tensors in a large aggregate of Ti-7Al grains (z500) over a time series of prescribed states...for public release: distribution unlimited. © 2017 ELSEVIER LTD (STINFO COPY) AIR FORCE RESEARCH LABORATORY MATERIALS AND MANUFACTURING

Grain dissection as a grain size reducing mechanism during ice microdynamics

NASA Astrophysics Data System (ADS)

Steinbach, Florian; Kuiper, Ernst N.; Eichler, Jan; Bons, Paul D.; Drury, Martin R.; Griera, Albert; Pennock, Gill M.; Weikusat, Ilka

2017-04-01

Ice sheets are valuable paleo-climate archives, but can lose their integrity by ice flow. An understanding of the microdynamic mechanisms controlling the flow of ice is essential when assessing climatic and environmental developments related to ice sheets and glaciers. For instance, the development of a consistent mechanistic grain size law would support larger scale ice flow models. Recent research made significant progress in numerically modelling deformation and recrystallisation mechanisms in the polycrystalline ice and ice-air aggregate (Llorens et al., 2016a,b; Steinbach et al., 2016). The numerical setup assumed grain size reduction is achieved by the progressive transformation of subgrain boundaries into new high angle grain boundaries splitting an existing grain. This mechanism is usually termed polygonisation. Analogue experiments suggested, that strain induced grain boundary migration can cause bulges to migrate through the whole of a grain separating one region of the grain from another (Jessell, 1986; Urai, 1987). This mechanism of grain dissection could provide an alternative grain size reducing mechanism, but has not yet been observed during ice microdynamics. In this contribution, we present results using an updated numerical approach allowing for grain dissection. The approach is based on coupling the full field theory crystal visco-plasticity code (VPFFT) of Lebensohn (2001) to the multi-process modelling platform Elle (Bons et al., 2008). VPFFT predicts the mechanical fields resulting from short strain increments, dynamic recrystallisation process are implemented in Elle. The novel approach includes improvements to allow for grain dissection, which was topologically impossible during earlier simulations. The simulations are supported by microstructural observations from NEEM (North Greenland Eemian Ice Drilling) ice core. Mappings of c-axis orientations using the automatic fabric analyser and full crystallographic orientations using electron backscatter diffraction (EBSD) are presented. Numerical simulations predict and resolve the microstructural evolution over strain and time. The occurrence of processes such as grain dissection can only be proven using such time resolved movies of microstructure evolution. We will present movies that show grain dissection as a common process during the simulations. Microstructures obtained from NEEM ice core support the observations and we provide evidence for grain dissection in natural ice. Grain dissection is observed to be most efficient relative to polygonisation, when the microstructure approaches steady state grain sizes. This is consistent with analogue experiments observing grain dissection by Jessell (1986) and Urai (1987). Our research suggests a novel grain size reducing mechanisms in ice microdynamics that should be considered when developing a consistent grain size law.

Evolution of Fine-Grained Channel Margin Deposits behind Large Woody Debris in an Experimental Gravel-Bed Flume

NASA Astrophysics Data System (ADS)

ONeill, B.; Marks, S.; Skalak, K.; Puleo, J. A.; Wilcock, P. R.; Pizzuto, J. E.

2014-12-01

Fine grained channel margin (FGCM) deposits of the South River, Virginia sequester a substantial volume of fine-grained sediment behind large woody debris (LWD). FGCM deposits were created in a laboratory setting meant to simulate the South River environment using a recirculating flume (15m long by 0.6m wide) with a fixed gravel bed and adjustable slope (set to 0.0067) to determine how fine sediment is transported and deposited behind LWD. Two model LWD structures were placed 3.7 m apart on opposite sides of the flume. A wire mesh screen with attached wooden dowels simulated LWD with an upstream facing rootwad. Six experiments with three different discharge rates, each with low and high sediment concentrations, were run. Suspended sediment was very fine grained (median grain size of 3 phi) and well sorted (0.45 phi) sand. Upstream of the wood, water depths averaged about 0.08m, velocities averaged about 0.3 m/s, and Froude numbers averaged around 0.3. Downstream of the first LWD structure, velocities were reduced tenfold. Small amounts of sediment passed through the rootwad and fell out of suspension in the area of reduced flow behind LWD, but most of the sediment was carried around the LWD by the main flow and then behind the LWD by a recirculating eddy current. Upstream migrating dunes formed behind LWD due to recirculating flow, similar to reattachment bars documented in bedrock canyon rivers partially obstructed by debouching debris fans. These upstream migrating dunes began at the reattachment point and merged with deposits formed from sediment transported through the rootwad. Downstream migrating dunes formed along the channel margin behind the LWD, downstream of the reattachment point. FGCM deposits were about 3 m long, with average widths of about 0.8 m. Greater sediment concentration created thicker FGCM deposits, and higher flows eroded the sides of the deposits, reducing their widths.

Structure-property relationships in the optimization of polysilicon thin films for electrical recording/stimulation of single neurons.

PubMed

Saha, Rajarshi; Muthuswamy, Jit

2007-06-01

We had earlier demonstrated the use of polysilicon microelectrodes for recording electrical activity from single neurons in vivo. Good machinability and compatibility with CMOS processing further make polysilicon an attractive interface material between biological environments on one hand and MEMS technology and digital circuits on the other hand. In this study, we focus on optimizing the polysilicon thin films for (a) electrical recording and (b) stimulation of single neurons by minimizing its electrochemical impedance spectra and maximizing its charge storage/injection capacity respectively. The structure-property relationships in ion-implanted (phosphorus) LPCVD polysilicon thin films under different annealing and doping conditions were carefully assessed during this optimization process. A 2D model of the polysilicon thin film consisting of 4 grains and 3 grain boundaries was constructed and the effect of grain size and grain boundaries on dc resistivity was simulated using device simulator ATLAS. Optimal processing conditions and doping concentrations resulted in a 10-fold decrease in electrochemical impedance from 1.1 kOmega to 0.1 kOmega at 1 kHz (area of polysilicon interface = 4.8 mm(2)). Subsequent characterizations showed that evolution of secondary grains within the polysilicon thin films at optimal doping and annealing conditions (10(21)/cm(3) of phosphorus and annealed at 1200 degrees C) was responsible for decreasing the impedance. Cyclic voltammetry studies demonstrated that charge storage properties of low doped (10(15)/cm(3)) thin films was 111.4 microC/cm(2) in phosphate buffered saline which compares well with platinum wires (approximately 50 microC/cm(2)) and the double-layered capacitance (C(dl)) could be sustained between -1 to 1 V before breakdown and hydrolysis. We conclude that polysilicon can be optimized for recording and stimulating single neurons and can be a valuable interface material between neurons and CMOS or MEMS devices.

The brittle-viscous-plastic evolution of shear bands in the South Armorican Shear Zone

NASA Astrophysics Data System (ADS)

Bukovská, Zita; Jeřábek, Petr; Morales, Luiz F. G.; Lexa, Ondrej; Milke, Ralf

2014-05-01

Shear bands are microscale shear zones that obliquely crosscut an existing anisotropy such as a foliation. The resulting S-C fabrics are characterized by angles lower than 45° and the C plane parallel to shear zone boundaries. The S-C fabrics typically occur in granitoids deformed at greenschist facies conditions in the vicinity of major shear zones. Despite their long recognition, mechanical reasons for localization of deformation into shear bands and their evolution is still poorly understood. In this work we focus on microscale characterization of the shear bands in the South Armorican Shear Zone, where the S-C fabrics were first recognized by Berthé et al. (1979). The initiation of shear bands in the right-lateral South Armorican Shear Zone is associated with the occurrence of microcracks crosscutting the recrystallized quartz aggregates that define the S fabric. In more advanced stages of shear band evolution, newly formed dominant K-feldspar, together with plagioclase, muscovite and chlorite occur in the microcracks, and the shear bands start to widen. K-feldspar replaces quartz by progressively bulging into the grain boundaries of recrystallized quartz grains, leading to disintegration of quartz aggregates and formation of fine-grained multiphase matrix mixture. The late stages of shear band development are marked by interconnection of fine-grained white mica into a band that crosscuts the original shear band matrix. In its extremity, the shear band widening may lead to the formation of ultramylonites. With the increasing proportion of shear band matrix from ~1% to ~12%, the angular relationship between S and C fabrics increases from ~30° to ~40°. The matrix phases within shear bands show differences in chemical composition related to distinct evolutionary stages of shear band formation. The chemical evolution is well documented in K-feldspar, where the albite component is highest in porphyroclasts within S fabric, lower in the newly formed grains within microcracks and nearly absent in matrix grains in the well developed C bands. The chemical variation between primary and secondary new-formed micas was clearly identified by the Mg-Ti-Na content. The microstructural analysis documents a progressive decrease in quartz grain size and increasing interconnectivity of K-feldspar and white mica towards more mature shear bands. The contact-frequency analysis demonstrates that the phase distribution in shear bands tends to evolve from quartz aggregate distribution via randomization to K-feldspar aggregate distribution. The boundary preferred orientation is absent in quartz-quartz contacts either inside of outside the C bands, while it changes from random to parallel to the C band for the K-feldspar and and K-feldspar-quartz boundaries. The lack of crystallographic preferred orientation of the individual phases in the mixed matrix of the C planes suggests a dominant diffusion-assisted grain boundary sliding deformation mechanism. In the later stages of shear band development, the deformation is accommodated by crystal plasticity of white mica in micaceous bands. The crystallographic and microstructural data thus indicate two important switches in deformation mechanisms, from (i) brittle to Newtonian viscous behavior in the initial stages of shear band evolution and from (ii) Newtonian viscous to power law in the later evolutionary stages. The evolution of shear bands in the South Armorican Shear Zone thus document the interplay between deformation mechanisms and chemical reactions in deformed granitoids.

Textural evolution of a dunitic matrix during formation of hybrid troctolites: insights from the Monte Maggiore peridotitic body (Corsica, France).

NASA Astrophysics Data System (ADS)

Basch, Valentin; Rampone, Elisabetta; Crispini, Laura; Ildefonse, Benoit; Godard, Marguerite

2017-04-01

Many recent studies investigate the formation of hybrid troctolites after melt-rock interactions and impregnation of a dunitic matrix (Drouin et al, 2010; Sanfilippo et al, 2015). They describe the reactive percolation of a melt in a dunite, dissolving olivine and crystallizing interstitial minerals (plagioclase ± clinopyroxene), thus leading to the dismembering of mantle olivines and variations in the olivine crystal number, size and shape (Boudier & Nicolas, 1995). However, despite the number of studies describing a hybrid origin for troctolites, this process is rarely documented in a field-controlled geological setting allowing the observation of a gradient of the amount of melt impregnation in mantle dunites. The Monte Maggiore peridotitic body (Corsica, France) preserves a multi-stage melt-rock reaction decompressional evolution (Rampone et al, 2008), marked by a first episode of olivine-saturated melt percolation at spinel facies, which dissolved mantle pyroxenes and crystallized olivine, thus leading to the formation of replacive dunites. A second diffuse melt impregnation in the spinel peridotites and dunites dissolved olivine and crystallized interstitial plagioclase, orthopyroxene and clinopyroxene at plagioclase-facies conditions. This increasing modal proportion in interstitial phases led to the replacive formation of plagioclase peridotites, plagioclase dunites and hybrid troctolites. This makes the Monte Maggiore peridotites an ideal case study to investigate the formation of hybrid troctolites and the associated textural evolution of the rock-forming minerals by detailed field and microstructural observations. In order to quantify the evolution of the olivine matrix texture (i.e. number of grains, grain size, shape factor, aspect ratio) at thin section scale with ongoing melt impregnation, we used EBSD maps of 12 samples from spinel dunites to plagioclase dunites and troctolites. In these samples, reactive melt percolation and melt entrapment led to decrease of modal olivine coupled to increase of modal interstitial phases. We observed a correlated evolution of textural parameters in olivine at increasing amount of melt impregnation, namely a progressive increase of the number of grains, decreasing grain size and a decrease in the shape factor and aspect ratio of the grains. Overall, this textural evolution is indicative of a dismembering of corroded mantle olivine grains into several small rounded grains (low shape factor and aspect ratio), caused by reactive melt percolation and crystallization. These observations confirm the possible hybrid origin of troctolites after impregnation of an olivine matrix, and quantify the evolution of the texture and dismembering of olivines after melt-related corrosion. Boudier, F., Nicolas, A. (1995) Nature of the Moho Transition Zone in the Oman Ophiolite, Journal of Petrology,36:777-796. Drouin, M., Ildefonse, B., Godard, M. (2010) A microstructural imprint of melt impregnation in slow spreading lithosphere: Olivine-rich troctolites from the Atlantis Massif, Mid-Atlantic Ridge, 30°N, IODP Hole U1309D, Geochem. Geophys. Geosyst., 11, Q06003, doi:10.1029/2009GC002995. Rampone, E., Piccardo, G.B., Hofmann, A.W. (2008) Multi-stage melt-rock interaction in the Mt. Maggiore (Corsica, France) ophiolitic peridotites: microstructural and geochemical evidence, Contributions to Mineralogy and Petrology, 156:453-475, doi: 10.1007/s00410-008-0296-y Sanfilippo, A., Morishita, T., Kumagai, H., Nakamura, K., Okino, K., Hara, K., Tamura, A., Arai, S. (2015) Hybrid troctolites from Mid-Ocean Ridges: Inherited mantle in the lower crust, Lithos, doi: 10.1016/j.lithos.2015.06.025

Chemical models of interstellar gas-grain processes. II - The effect of grain-catalysed methane on gas phase evolution

NASA Technical Reports Server (NTRS)

Brown, Paul D.; Charnley, S. B.

1991-01-01

The effects on gas phase chemistry which result from the continuous desorption of methane molecules from grain surfaces are studied. Significant and sustained enhancements in the abundances of several complex hydrocarbon molecules are found, in good agreement with their observed values in TMC-1. The overall agreement is, however, just as good for the case of zero CH4 desorption efficiency. It is thus impossible to determine from the models whether or not the grain-surface production of methane is responsible for the observed abundances of some hydrocarbon molecules.

Grain rims on ilmenite in the lunar regolith: Comparison to vapor deposits on regolith silicates

NASA Technical Reports Server (NTRS)

Christoffersen, R.; Mckay, D. S.; Keller, L. P.

1994-01-01

In efforts to understand regolith evolution on airless bodies, increasing attention is now being payed to those processes and events that alter or 'weather' the surfaces of regolith grains. This attention has developed partly out of the ongoing need to optimize models of planetary reflectance spectra and the growing recognition that diverse types of grain coatings and surface alterations occur which can strongly influence mineral reflectance properties. In addition to their implications for optical properties, surface features on regolith grains have provided useful clues to the basic thermal, chemical, and radiation history of regoliths.

Temperature dependence of helium-implantation-induced lattice swelling in polycrystalline tungsten: X-ray micro-diffraction and Eigenstrain modelling

DOE PAGES

de Broglie, I.; Beck, C. E.; Liu, W.; ...

2015-05-30

Using synchrotron X-ray micro-diffraction and Eigenstrain analysis the distribution of lattice swelling near grain boundaries in helium-implanted polycrystalline tungsten is quantified. Samples heat-treated at up to 1473 K after implantation show less uniform lattice swelling that varies significantly from grain to grain compared to as-implanted samples. An increase in lattice swelling is found in the vicinity of some grain boundaries, even at depths beyond the implanted layer. As a result, these findings are discussed in terms of the evolution of helium-ion-implantation-induced defects.

Temperature dependence of helium-implantation-induced lattice swelling in polycrystalline tungsten: X-ray micro-diffraction and Eigenstrain modelling

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

de Broglie, I.; Beck, C. E.; Liu, W.

Using synchrotron X-ray micro-diffraction and Eigenstrain analysis the distribution of lattice swelling near grain boundaries in helium-implanted polycrystalline tungsten is quantified. Samples heat-treated at up to 1473 K after implantation show less uniform lattice swelling that varies significantly from grain to grain compared to as-implanted samples. An increase in lattice swelling is found in the vicinity of some grain boundaries, even at depths beyond the implanted layer. As a result, these findings are discussed in terms of the evolution of helium-ion-implantation-induced defects.

{1 1 1} facet growth laws and grain competition during silicon crystallization

NASA Astrophysics Data System (ADS)

Stamelou, V.; Tsoutsouva, M. G.; Riberi-Béridot, T.; Reinhart, G.; Regula, G.; Baruchel, J.; Mangelinck-Noël, N.

2017-12-01

Directional solidification from mono-crystalline Si seeds having different orientations along the growth direction is studied. Due to the frequent twinning phenomenon, new grains soon nucleate during growth. The grain competition is then characterized in situ by imaging the dynamic evolution of the grain boundaries and of the corresponding grain boundary grooves that are formed at the solid-liquid interface. To perform this study, an experimental investigation based on Bridgman solidification technique coupled with in situ X-ray imaging is conducted in an original device: GaTSBI (Growth at high Temperature observed by X-ray Synchrotron Beam Imaging). Imaging characterisation techniques using X-ray synchrotron radiation at ESRF (European Synchrotron Radiation Facility, Grenoble, France) are applied during the solidification to study the growth dynamics. Facetted/facetted grain boundary grooves only are studied due to their importance in the grain competition because of their implication in the twinning mechanism. The maximum undercooling inside the groove is calculated from the groove depth knowing the local temperature gradient. Additionally, thanks to dynamic X-ray images, the global solid-liquid interface growth rate and the normal growth rate of the {1 1 1} facets existing at the grooves and at the edges are measured. From these measurements, experimental growth laws that correlate the normal velocity of the {1 1 1} facets with the maximum undercooling of the groove are extracted and compared to existing theoretical models. Finally, the experimental laws found for the contribution to the undercooling of the {1 1 1} facets are in good agreement with the theoretical model implying nucleation and growth eased by the presence of dislocations. Moreover, it is shown that, for the same growth parameters, the undercooling at the level of the facets (always lower than 1 K) is higher at the edges so that there is a higher probability of twin nucleation at the edges which is in agreement with the grain structure development characterised in the present experiments as well as in the literature.

A Study on the Characteristics of the Structure of Vega's Debris Disk

NASA Astrophysics Data System (ADS)

Lu, Tao; Ji, Jiang-hui

2013-10-01

The clumpy structure in the Vega's debris disk was reported at millimeter wavelengths previously, and attributed to the concentration of dust grains trapped in resonances with a potential high-eccentricity planet. However, current imaging at multi-wavelengths with higher sensitivity indicates that the Vega's debris disk has a smooth structure. But a planet orbiting Vega could not be neglected, and the present-day observations may place a severe constraint on the orbital parameters for the potential planet. Herein, we utilize the modi- fied MERCURY codes to numerically simulate the Vega system, which consists of a debris disk and a planet. In our simulations, the initial inner and outer boundaries of the debris disk are assumed to be 80 AU and 120 AU, respectively. The dust grains in the disk have the sizes from 10 μm to 100 μm, and the nearly coplanar orbits. From the outcomes, we show that the evolution of debris disk is consistent with recent observations, if there is no planet orbiting Vega. However, if Vega owns a planet with a high eccentricity (e.g., e = 0.6), the planet's semi- major axis cannot be larger than 60 AU, otherwise, an aggregation phenomenon will occur in the debris disk due to the existence of the postulated planet. In addition, the 2:1 mean motion resonances may play a significant role in forming the structure of debris disk.

Understanding the impact of grain structure in austenitic stainless steel from a nanograined regime to a coarse-grained regime on osteoblast functions using a novel metal deformation-annealing sequence.

PubMed

Misra, R D K; Nune, C; Pesacreta, T C; Somani, M C; Karjalainen, L P

2013-04-01

Metallic biomedical devices with nanometer-sized grains (NGs) provide surfaces that are different from their coarse-grained (CG) (tens of micrometer) counterparts in terms of increased fraction of grain boundaries (NG>50%; CG<2-3%). The novel concept of 'phase-reversion' involving a controlled deformation-annealing sequence is used to obtain a wide range of grain structures, starting from the NG regime to the CG regime, to demonstrate that the grain structure significantly impacts cellular interactions and osteoblast functions. The uniqueness of this concept is the ability to address the critical aspect of cellular activity in nanostructured materials, because a range of grain sizes from NG to CG are obtained in a single material using an identical set of parameters. This is in addition to a high strength/weight ratio and superior wear and corrosion resistance. These multiple attributes are important for the long-term stability of biomedical devices. Experiments on the interplay between grain structure from the NG regime to CG in austenitic stainless steel on osteoblast functions indicated that cell attachment, proliferation, viability, morphology and spread varied with grain size and were favorably modulated on the NG and ultrafine-grain structure. Furthermore, immunofluorescence studies demonstrated stronger vinculin signals associated with actin stress fibers in the outer regions of the cells and cellular extensions on the NG surface. The differences in the cellular response with change in grain structure are attributed to grain structure and degree of hydrophilicity. The study lays the foundation for a new branch of nanostructured materials for biomedical applications. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Microstructural Evolution During Cold Rolling and Subsequent Annealing in Low-Carbon Steel with Different Initial Microstructures

NASA Astrophysics Data System (ADS)

Ogawa, Toshio; Dannoshita, Hiroyuki; Maruoka, Kuniaki; Ushioda, Kohsaku

2017-08-01

Microstructural evolution during cold rolling and subsequent annealing of low-carbon steel with different initial microstructures was investigated from the perspective of the competitive phenomenon between recrystallization of ferrite and reverse phase transformation from ferrite to austenite. Three kinds of hot-rolled sheet specimens were prepared. Specimen P consisted of ferrite and pearlite, specimen B consisted of bainite, and specimen M consisted of martensite. The progress of recovery and recrystallization of ferrite during annealing was more rapid in specimen M than that in specimens P and B. In particular, the recrystallized ferrite grains in specimen M were fine and equiaxed. The progress of ferrite-to-austenite phase transformation during intercritical annealing was more rapid in specimen M than in specimens P and B. In all specimens, the austenite nucleation sites were mainly at high-angle grain boundaries, such as those between recrystallized ferrite grains. The austenite distribution was the most uniform in specimen M. Thus, we concluded that fine equiaxed recrystallized ferrite grains were formed in specimen M, leading to a uniform distribution of austenite.

The Evolution of Dust in the Multiphase ISM: Grain Destruction Processes

NASA Technical Reports Server (NTRS)

Wolfire, Mark

1999-01-01

This proposal covered year one of a long term project in which we acquired the necessary hardware and softwaxe needed to calculate grain destruction processes in the interstellar medium (ISM). The long term goal of this research is to develop a model for the dust evolution in the ISM capable of explaining observations of elemental depletions, the grain size distribution, and the emission characteristics of the ISM from the X-ray through the FIR. We purchased a SUN Ultra 10 workstation and peripheral devices including an Exabyte Tape drive, HP Laser Printer, and Seagate External Hard Disk. The PI installed the hardware and Solaris operating system on the workstation and integrated the hardware into the network. Software was also purchased to enable connections to the workstation from a PC (Hummingbird Exceed). Additional freeware required to carry out the proposed program was installed on the system including compilers (g77, gcc, g++), editors (emacs), a markup language (LaTeX), and display programs (WIP, XV, SAOtng). We have also successfully modified the required plot files to work with our system which display the results of grain processing.

Creep deformation of grain boundary in a highly crystalline SiC fibre.

PubMed

Shibayama, Tamaki; Yoshida, Yutaka; Yano, Yasuhide; Takahashi, Heishichiro

2003-01-01

Silicon carbide (SiC) matrix composites reinforced by SiC fibres (SiC/SiC composites) are currently being considered as alternative materials in high Ni alloys for high-temperature applications, such as aerospace components, gas-turbine energy-conversion systems and nuclear fusion reactors, because of their high specific strength and fracture toughness at elevated temperatures compared with monolithic SiC ceramics. It is important to evaluate the creep properties of SiC fibres under tensile loading in order to determine their usefulness as structural components. However, it would be hard to evaluate creep properties by monoaxial tensile properties when we have little knowledge on the microstructure of crept specimens, especially at the grain boundary. Recently, a simple fibre bend stress relaxation (BSR) test was introduced by Morscher and DiCarlo to address this problem. Interpretation of the fracture mechanism at the grain boundary is also essential to allow improvement of the mechanical properties. In this paper, effects of stress applied by BSR test on microstructural evolution in advanced SiC fibres, such as Tyranno-SA including small amounts of Al, are described and discussed along with the results of microstructure analysis on an atomic scale by using advanced microscopy.

Improved epitaxial texture of thick YBa2Cu3O7-δ/GdBa2Cu3O7-δ films with periodic stress releasing

NASA Astrophysics Data System (ADS)

Lin, Jianxin; Yang, Wentao; Gu, Zhaohui; Shu, Gangqiang; Li, Minjuan; Sang, Lina; Guo, Yanqun; Liu, Zhiyong; Cai, Chuanbing

2015-04-01

Thick high-Tc superconducting films consisting of a YBa2Cu3O7-δ/GdBa2Cu3O7-δ periodic architecture are developed on oxid-buffered Hastelloy tapes using a pulsed laser deposition process. It is revealed that multilayer intermittent structures for superconducting layers are effective to avoid the presence of a-axis grains and microcracks that occur with increasing thickness, which are frequently observed in monolayer films of REBa2Cu3O7-δ (RE = Y, Gd, or other rare earths), such grains and cracks being the significant challenge for obtaining high critical current in coated conductors. Presently, the thicknesses of multilayer films vary from 0.5 μm to 3 μm and, based on the SEM images and x-ray φ-scans, hardly show the influences on the microstructures and grain orientation of the c-axis. Also, the characteristic Raman spectrum patterns and their shifting with increasing the thickness of YBCO/GdBCO imply that the superior texture is obtained due to the evolution of stress dominated by the compressive stress rather than tensile stress.

Annealing effects on the microstructure and mechanical properties of hot-rolled 14Cr-ODS steel

NASA Astrophysics Data System (ADS)

Gao, R.; Zhang, T.; Ding, H. L.; Jiang, Y.; Wang, X. P.; Fang, Q. F.; Liu, C. S.

2015-10-01

The oxide dispersion strengthened ferritic steels with nominal composition (weight percent) of Fe-14Cr-2W-0.5Ti-0.06Si-0.2V-0.1Mn-0.05Ta-0.03C-0.3Y2O3 were fabricated by sol-gel method, mechanical alloying, and hot isostatic pressing techniques. The evolution of microstructure and mechanical properties of the hot-rolled specimens with heat treatment was investigated. Tensile strength and hardness of hot-rolled ODS steel are significantly enhanced due to the formation of mechanical twins and high density dislocations. Uniformly dispersed oxide particles (10-40 nm) and fine-grained structure (200-400 nm) are responsible for the superior mechanical properties of the hot-rolled specimen annealed between 650 °C and 850 °C. With further increasing annealing temperature, the grain size of the hot-rolled specimens increases while the size of oxide particles decreases, which leads to lower strength and hardness but better ductility. The tensile strength and total elongation of samples in the rolling direction are higher than those in the transverse direction after the same treatments owing to the grain anisotropy induced by the large mechanical deformation.

Thermal Aging Behavior of Axial Suspension Plasma-Sprayed Yttria-Stabilized Zirconia (YSZ) Thermal Barrier Coatings

NASA Astrophysics Data System (ADS)

Zhao, Yuexing; Wang, Liang; Yang, Jiasheng; Li, Dachuan; Zhong, Xinghua; Zhao, Huayu; Shao, Fang; Tao, Shunyan

2015-02-01

7.5YSZ thermal barrier coatings (TBCs) were deposited onto the stainless steel substrates using axial suspension plasma spraying (ASPS). Free-standing coatings were isothermally aged in air from 1200 to 1600 °C for 24 h and at 1550 °C for 20 to 100 h, respectively. Thermal aging behavior such as phase composition, microstructure evolutions, grain growth, and mechanical properties for thermal-aged coatings were investigated. Results show that the as-sprayed metastable tetragonal (t'-ZrO2) phase decomposes into equilibrium tetragonal (t-ZrO2) and cubic (c-ZrO2) phases during high-temperature exposures. Upon further cooling, the c-ZrO2 may be retained or transform into another metastable tetragonal (t″-ZrO2) phase, and tetragonal → monoclinic phase transformation occurred after 1550 °C/40 h aging treatment. The coating exhibits a unique structure with segmentation cracks and micro/nano-size grains, and the grains grow gradually with increasing aging temperature and time. In addition, the hardness ( H) and Young's modulus ( E) significantly increased as a function of temperature due to healing of pores or cracks and grain growth of the coating. And a nonmonotonic variation is found in the coatings thermal aged at a constant temperature (1550 °C) with prolonged time, this is a synergetic effect of coating sintering and m-ZrO2 phase formation.

Probing slow dynamics of consolidated granular multicomposite materials by diffuse acoustic wave spectroscopy.

PubMed

Tremblay, Nicolas; Larose, Eric; Rossetto, Vincent

2010-03-01

The stiffness of a consolidated granular medium experiences a drop immediately after a moderate mechanical solicitation. Then the stiffness rises back toward its initial value, following a logarithmic time evolution called slow dynamics. In the literature, slow dynamics has been probed by macroscopic quantities averaged over the sample volume, for instance, by the resonant frequency of vibrational eigenmodes. This article presents a different approach based on diffuse acoustic wave spectroscopy, a technique that is directly sensitive to the details of the sample structure. The parameters of the dynamics are found to depend on the damage of the medium. Results confirm that slow dynamics is, at least in part, due to tiny structural rearrangements at the microscopic scale, such as inter-grain contacts.

COMETARY SCIENCE. 67P/Churyumov-Gerasimenko surface properties as derived from CIVA panoramic images.

PubMed

Bibring, J-P; Langevin, Y; Carter, J; Eng, P; Gondet, B; Jorda, L; Le Mouélic, S; Mottola, S; Pilorget, C; Poulet, F; Vincendon, M

2015-07-31

The structure and composition of cometary constituents, down to their microscopic scale, are critical witnesses of the processes and ingredients that drove the formation and evolution of planetary bodies toward their present diversity. On board Rosetta's lander Philae, the Comet Infrared and Visible Analyser (CIVA) experiment took a series of images to characterize the surface materials surrounding the lander on comet 67P/Churyumov-Gerasimenko. Images were collected twice: just after touchdown, and after Philae finally came to rest, where it acquired a full panorama. These images reveal a fractured surface with complex structure and a variety of grain scales and albedos, possibly constituting pristine cometary material. Copyright © 2015, American Association for the Advancement of Science.

INFRARED OBSERVATIONAL MANIFESTATIONS OF YOUNG DUSTY SUPER STAR CLUSTERS

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

Martínez-González, Sergio; Tenorio-Tagle, Guillermo; Silich, Sergiy, E-mail: sergiomtz@inaoep.mx

The growing evidence pointing at core-collapse supernovae as large dust producers makes young massive stellar clusters ideal laboratories to study the evolution of dust immersed in a hot plasma. Here we address the stochastic injection of dust by supernovae, and follow its evolution due to thermal sputtering within the hot and dense plasma generated by young stellar clusters. Under these considerations, dust grains are heated by means of random collisions with gas particles which result in the appearance of  infrared spectral signatures. We present time-dependent infrared spectral energy distributions that are to be expected from young stellar clusters. Our results aremore » based on hydrodynamic calculations that account for the stochastic injection of dust by supernovae. These also consider gas and dust radiative cooling, stochastic dust temperature fluctuations, the exit of dust grains out of the cluster volume due to the cluster wind, and a time-dependent grain size distribution.« less

Laboratory Annealing Experiments Of Refractory Silicate Grain Analogs Using Differential Scanning Calorimetry

NASA Technical Reports Server (NTRS)

Kimura, Yuki; Nuth, Joseph A., III; Tsukamota, Katsuo; Kaito, Chihiro

2010-01-01

Exothermic reactions during the annealing of laboratory synthesized amorphous magnesium-bearing silicate particles used as grain analogs of cosmic dust were detected by differential scanning calorimetry (DSC) in air. With infrared spectroscopy and transmission electron microscopy, we show that cosmic dust could possibly undergo fusion to larger particles, with oxidation of magnesium silicide and crystallization of forsterite as exothermic reactions in the early solar system. The reactions begin at approximately 425, approximately 625, and approximately 1000 K, respectively, and the reaction energies (enthalpies) are at least 727, 4151, and 160.22 J per gram, respectively. During the crystallization of forsterite particles, the spectral evolution of the 10 micrometer feature from amorphous to crystalline was observed to begin at lower temperature than the crystallization temperature of 1003 K. During spectral evolution at lower temperature, nucleation and/or the formation of nanocrystallites of forsterite at the surface of the grain analogs was observed.

Algorithm for repairing the damaged images of grain structures obtained from the cellular automata and measurement of grain size

NASA Astrophysics Data System (ADS)

Ramírez-López, A.; Romero-Romo, M. A.; Muñoz-Negron, D.; López-Ramírez, S.; Escarela-Pérez, R.; Duran-Valencia, C.

2012-10-01

Computational models are developed to create grain structures using mathematical algorithms based on the chaos theory such as cellular automaton, geometrical models, fractals, and stochastic methods. Because of the chaotic nature of grain structures, some of the most popular routines are based on the Monte Carlo method, statistical distributions, and random walk methods, which can be easily programmed and included in nested loops. Nevertheless, grain structures are not well defined as the results of computational errors and numerical inconsistencies on mathematical methods. Due to the finite definition of numbers or the numerical restrictions during the simulation of solidification, damaged images appear on the screen. These images must be repaired to obtain a good measurement of grain geometrical properties. Some mathematical algorithms were developed to repair, measure, and characterize grain structures obtained from cellular automata in the present work. An appropriate measurement of grain size and the corrected identification of interfaces and length are very important topics in materials science because they are the representation and validation of mathematical models with real samples. As a result, the developed algorithms are tested and proved to be appropriate and efficient to eliminate the errors and characterize the grain structures.

Short communication on Kinetics of grain growth and particle pinning in U-10 wt.% Mo

NASA Astrophysics Data System (ADS)

Frazier, William E.; Hu, Shenyang; Overman, Nicole; Lavender, Curt; Joshi, Vineet V.

2018-01-01

The alloy U-10 wt% Mo was annealed at temperatures ranging from 700 °C to 900 °C for periods lasting up to 24 h. Annealed microstructures were examined using Electron Backscattered Diffraction (EBSD) to obtain average grain sizes and grain size distributions. From the temporal evolution of the average grain size, the activation energy of grain growth was determined to be 172.4 ± 0.961 kJ/mol. Grain growth over the annealing period stagnated after a period of 1-4 h. This stagnation is apparently caused by the pinning effect of second-phase particles in the materials. Back-scattered electron imaging (BSE) was used to confirm that these particles do not appreciably coarsen or dissolve during annealing at the aforementioned temperatures.

Empirical force field-based kinetic Monte Carlo simulation of precipitate evolution and growth in Al-Cu alloys

NASA Astrophysics Data System (ADS)

Joshi, Kaushik; Chaudhuri, Santanu

2016-10-01

Ability to accelerate the morphological evolution of nanoscale precipitates is a fundamental challenge for atomistic simulations. Kinetic Monte Carlo (KMC) methodology is an effective approach for accelerating the evolution of nanoscale systems that are dominated by so-called rare events. The quality and accuracy of energy landscape used in KMC calculations can be significantly improved using DFT-informed interatomic potentials. Using newly developed computational framework that uses molecular simulator LAMMPS as a library function inside KMC solver SPPARKS, we investigated formation and growth of Guiner-Preston (GP) zones in dilute Al-Cu alloys at different temperature and copper concentrations. The KMC simulations with angular dependent potential (ADP) predict formation of coherent disc-shaped monolayers of copper atoms (GPI zones) in early stage. Such monolayers are then gradually transformed into energetically favored GPII phase that has two aluminum layers sandwiched between copper layers. We analyzed the growth kinetics of KMC trajectory using Johnson-Mehl-Avrami (JMA) theory and obtained a phase transformation index close to 1.0. In the presence of grain boundaries, the KMC calculations predict the segregation of copper atoms near the grain boundaries instead of formation of GP zones. The computational framework presented in this work is based on open source potentials and MD simulator and can predict morphological changes during the evolution of the alloys in the bulk and around grain boundaries.

Investigation of shear damage considering the evolution of anisotropy

NASA Astrophysics Data System (ADS)

Kweon, S.

2013-12-01

The damage that occurs in shear deformations in view of anisotropy evolution is investigated. It is widely believed in the mechanics research community that damage (or porosity) does not evolve (increase) in shear deformations since the hydrostatic stress in shear is zero. This paper proves that the above statement can be false in large deformations of simple shear. The simulation using the proposed anisotropic ductile fracture model (macro-scale) in this study indicates that hydrostatic stress becomes nonzero and (thus) porosity evolves (increases or decreases) in the simple shear deformation of anisotropic (orthotropic) materials. The simple shear simulation using a crystal plasticity based damage model (meso-scale) shows the same physics as manifested in the above macro-scale model that porosity evolves due to the grain-to-grain interaction, i.e., due to the evolution of anisotropy. Through a series of simple shear simulations, this study investigates the effect of the evolution of anisotropy, i.e., the rotation of the orthotropic axes onto the damage (porosity) evolution. The effect of the evolutions of void orientation and void shape onto the damage (porosity) evolution is investigated as well. It is found out that the interaction among porosity, the matrix anisotropy and void orientation/shape plays a crucial role in the ductile damage of porous materials.

Coevolution of bed surface patchiness and channel morphology: 1. Mechanisms of forced patch formation

USGS Publications Warehouse

Nelson, Peter A.; McDonald, Richard R.; Nelson, Jonathan M.; Dietrich, William E.

2015-01-01

Riverbeds frequently display a spatial structure where the sediment mixture composing the channel bed has been sorted into discrete patches of similar grain size. Even though patches are a fundamental feature in gravel bed rivers, we have little understanding of how patches form, evolve, and interact. Here we present a two-dimensional morphodynamic model that is used to examine in greater detail the mechanisms responsible for the development of forced bed surface patches and the coevolution of bed morphology and bed surface patchiness. The model computes the depth-averaged channel hydrodynamics, mixed-grain-size sediment transport, and bed evolution by coupling the river morphodynamic model Flow and Sediment Transport with Morphological Evolution of Channels (FaSTMECH) with a transport relation for gravel mixtures and the mixed-grain-size Exner equation using the active layer assumption. To test the model, we use it to simulate a flume experiment in which the bed developed a sequence of alternate bars and temporally and spatially persistent forced patches with a general pattern of coarse bar tops and fine pools. Cross-stream sediment flux causes sediment to be exported off of bars and imported into pools at a rate that balances downstream gradients in the streamwise sediment transport rate, allowing quasi-steady bar-pool topography to persist. The relative importance of lateral gravitational forces on the cross-stream component of sediment transport is a primary control on the amplitude of the bars. Because boundary shear stress declines as flow shoals over the bars, the lateral sediment transport is increasingly size selective and leads to the development of coarse bar tops and fine pools.

Finite element simulation of texture evolution and Swift effect in NiAl under torsion

NASA Astrophysics Data System (ADS)

Böhlke, Thomas; Glüge, Rainer; Klöden, Burghardt; Skrotzki, Werner; Bertram, Albrecht

2007-09-01

The texture evolution and the Swift effect in NiAl under torsion at 727 °C are studied by finite element simulations for two different initial textures. The material behaviour is modelled by an elastic-viscoplastic Taylor model. In order to overcome the well-known shortcomings of Taylor's approach, the texture evolution is also investigated by a representative volume element (RVE) with periodic boundary conditions and a compatible microstructure at the opposite faces of the RVE. Such a representative volume element takes into account the grain morphology and the grain interaction. The numerical results are compared with experimental data. It is shown that the modelling of a finite element based RVE leads to a better prediction of the final textures. However, the texture evolution path is not accounted for correctly. The simulated Swift effect depends much more on the initial orientation distribution than observed in experiment. Deviations between simulation and experiment may be due to continuous dynamic recrystallization.

Atomistic to Continuum Multiscale and Multiphysics Simulation of NiTi Shape Memory Alloy

NASA Astrophysics Data System (ADS)

Gur, Sourav

Shape memory alloys (SMAs) are materials that show reversible, thermo-elastic, diffusionless, displacive (solid to solid) phase transformation, due to the application of temperature and/ or stress (/strain). Among different SMAs, NiTi is a popular one. NiTi shows reversible phase transformation, the shape memory effect (SME), where irreversible deformations are recovered upon heating, and superelasticity (SE), where large strains imposed at high enough temperatures are fully recovered. Phase transformation process in NiTi SMA is a very complex process that involves the competition between developed internal strain and phonon dispersion instability. In NiTi SMA, phase transformation occurs over a wide range of temperature and/ or stress (strain) which involves, evolution of different crystalline phases (cubic austenite i.e. B2, different monoclinic variant of martensite i.e. B19', and orthorhombic B19 or BCO structures). Further, it is observed from experimental and computational studies that the evolution kinetics and growth rate of different phases in NiTi SMA vary significantly over a wide spectrum of spatio-temporal scales, especially with length scales. At nano-meter length scale, phase transformation temperatures, critical transformation stress (or strain) and phase fraction evolution change significantly with sample or simulation cell size and grain size. Even, below a critical length scale, the phase transformation process stops. All these aspects make NiTi SMA very interesting to the science and engineering research community and in this context, the present focuses on the following aspects. At first this study address the stability, evolution and growth kinetics of different phases (B2 and variants of B19'), at different length scales, starting from the atomic level and ending at the continuum macroscopic level. The effects of simulation cell size, grain size, and presence of free surface and grain boundary on the phase transformation process (transformation temperature, phase fraction evolution kinetics due to temperature) are also demonstrated herein. Next, to couple and transfer the statistical information of length scale dependent phase transformation process, multiscale/ multiphysics methods are used. Here, the computational difficulty from the fact that the representative governing equations (i.e. different sub-methods such as molecular dynamics simulations, phase field simulations and continuum level constitutive/ material models) are only valid or can be implemented over a range of spatiotemporal scales. Therefore, in the present study, a wavelet based multiscale coupling method is used, where simulation results (phase fraction evolution kinetics) from different sub-methods are linked via concurrent multiscale coupling fashion. Finally, these multiscale/ multiphysics simulation results are used to develop/ modify the macro/ continuum scale thermo-mechanical constitutive relations for NiTi SMA. Finally, the improved material model is used to model new devices, such as thermal diodes and smart dampers.

Spectrophotometry at 10 microns of T Tauri stars

NASA Technical Reports Server (NTRS)

Cohen, M.; Witteborn, F. C.

1985-01-01

New 8-13 micron spectra of 32 T Tau, or related young, stars are presented. Silicate emission features are commonly seen. Absorptions occur less frequently but also match the properties of silicate materials. The shape of the emission feature suggests that a more crystalline grain is responsible in the T Tau stars than those of the Trapezium region. The evolution of the silicate component of the circumstellar shell around T Tau stars, and its dependence upon stellar wind activity, visual linear polarization, and extinction are investigated. Several correlations suggest that the shells are likely to be flattened, disklike structures rather than spherical.

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

Dongil Chun; Dohyeon Kim; Kwangyong Eun

TiC-Ni-Mo cermet specimens were prepared by using a mixture of fine (1.5 [mu]m) and coarse (30 [mu]m) TiC powders. When the fraction of fine TiC particles was 80%, a (Ti,Mo,Ni)C complex carbide phase was observed deposited on the coarse TiC particles and resulted in a typical cored structure. As the fraction of fine TiC particles decreased, the coarse TiC particles exhibited a unique microstructural evolution with the development of a concave interface. This microstructural change of the coarse TiC grains can be explained in terms of the coherency strain energy.

Microstructural development of cobalt ferrite ceramics and its influence on magnetic properties

NASA Astrophysics Data System (ADS)

Kim, Gi-Yeop; Jeon, Jae-Ho; Kim, Myong-Ho; Suvorov, Danilo; Choi, Si-Young

2013-11-01

The microstructural evolution and its influence on magnetic properties in cobalt ferrite were investigated. The cobalt ferrite powders were prepared via a solid-state reaction route and then sintered at 1200 °C for 1, 2, and 16 h in air. The microstructures from sintered samples represented a bimodal distribution of grain size, which is associated with abnormal grain growth behavior. And thus, with increasing sintering time, the number and size of abnormal grains accordingly increased but the matrix grains were frozen with stagnant grain growth. In the sample sintered for 16 h, all of the matrix grains were consumed and the abnormal grains consequently impinged on each other. With the appearance of abnormal grains, the magnetic coercivity significantly decreased from 586.3 Oe (1 h sintered sample) to 168.3 Oe (16 h sintered sample). This is due to the magnetization in abnormal grains being easily flipped. In order to achieve high magnetic coercivity of cobalt ferrite, it is thus imperative to fabricate the fine and homogeneous microstructure.

Deformation Behavior and Microstructure Evolution of As-Cast 42CrMo Alloy in Isothermal and Non-isothermal Compression

NASA Astrophysics Data System (ADS)

Qin, Fangcheng; Li, Yongtang; Qi, Huiping; Lv, Zhenhua

2016-11-01

The isothermal and non-isothermal multi-pass compression tests of centrifugal casting 42CrMo steel were conducted on a Gleeble-3500 thermal simulation machine. The effects of compression passes and finishing temperatures on deformation behavior and microstructure evolution were investigated. It is found that the microstructure is homogeneous with equiaxed grains, and the flow stress does not show significant change with the increase in passes, while the peak softening coefficient increases first and then decreases during inter-pass. Moreover, the dominant mechanisms of controlled temperature and accumulated static recrystallization for grain refinement and its homogeneous distribution are found after 5 passes deformation. As the finishing temperature increases, the flow stress decreases gradually, but the dynamic recrystallization accelerates and softening effect increases, resulting in the larger grain size and homogeneous microstructure. The microhardness decreases sharply because the sufficient softening occurs in microstructure. When the finishing temperature is 890 °C, the carbide particles are precipitated in the vicinity of the grain boundaries, thus inhibiting the dislocation motion. Thus, the higher finishing temperature (≥970 °C) for centrifugal casting 42CrMo alloy should be avoided in non-isothermal multi-pass deformation, which is beneficial to grain refinement and properties improvement.

Irradiation Induced Microstructure Evolution in Nanostructured Materials: A Review

PubMed Central

Liu, Wenbo; Ji, Yanzhou; Tan, Pengkang; Zang, Hang; He, Chaohui; Yun, Di; Zhang, Chi; Yang, Zhigang

2016-01-01

Nanostructured (NS) materials may have different irradiation resistance from their coarse-grained (CG) counterparts. In this review, we focus on the effect of grain boundaries (GBs)/interfaces on irradiation induced microstructure evolution and the irradiation tolerance of NS materials under irradiation. The features of void denuded zones (VDZs) and the unusual behavior of void formation near GBs/interfaces in metals due to the interactions between GBs/interfaces and irradiation-produced point defects are systematically reviewed. Some experimental results and calculation results show that NS materials have enhanced irradiation resistance, due to their extremely small grain sizes and large volume fractions of GBs/interfaces, which could absorb and annihilate the mobile defects produced during irradiation. However, there is also literature reporting reduced irradiation resistance or even amorphization of NS materials at a lower irradiation dose compared with their bulk counterparts, since the GBs are also characterized by excess energy (compared to that of single crystal materials) which could provide a shift in the total free energy that will lead to the amorphization process. The competition of these two effects leads to the different irradiation tolerance of NS materials. The irradiation-induced grain growth is dominated by irradiation temperature, dose, ion flux, character of GBs/interface and nanoprecipitates, although the decrease of grain sizes under irradiation is also observed in some experiments. PMID:28787902

Deformation Mechanism and Recrystallization Relationships in Galfenol Single Crystals: On the Origin of Goss and Cube Orientations

NASA Astrophysics Data System (ADS)

Na, Suok-Min; Smith, Malcolm; Flatau, Alison B.

2018-06-01

In this work, deformation mechanism related to recrystallization behavior in single-crystal disks of Galfenol (Fe-Ga alloy) was investigated to gain insights into the influence of crystal orientations on structural changes and selective grain growth that take place during secondary recrystallization. We started with the three kinds of single-crystal samples with (011)[100], (001)[100], and (001)[110] orientations, which were rolled and annealed to promote the formation of different grain structures and texture evolutions. The initial Goss-oriented (011)[100] crystal mostly rotated into {111}<112> orientations with twofold symmetry and shear band structures by twinning resulted in the exposure of rolled surface along {001}<110> orientation during rolling. In contrast, the Cube-oriented (001)[100] single crystal had no change in texture during rolling with the thickness reduction up to 50 pct. The {123}<111> slip systems were preferentially activated in these single crystals during deformation as well as {112}<111> slip systems that are known to play a role in primary slip of body-centered cubic (BCC) materials such as α-iron and Fe-Si alloys. After annealing, the deformed Cube-oriented single crystal had a small fraction (<10 pct) of recrystallized Goss-oriented grains. The weak Goss component remained in the shear bands of the 50 pct rolled Goss-oriented single crystal, and it appeared to be associated with coalescence of subgrains inside shear band structures during primary recrystallization. Rolling of the (001)[110] single crystal led to the formation of a tilted (001)[100] component close to the <120> orientation, associated with {123}<111> slip systems as well. This was expected to provide potential sites of nucleation for secondary recrystallization; however, no Goss- and Cube-oriented components actually developed in this sample during secondary recrystallization. Those results illustrated how the recrystallization behavior can be influenced by deformed structure and the slip systems.

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

Carrasco-González, Carlos; Rodríguez, Luis F.; Galván-Madrid, Roberto

The first long-baseline ALMA campaign resolved the disk around the young star HL Tau into a number of axisymmetric bright and dark rings. Despite the very young age of HL Tau, these structures have been interpreted as signatures for the presence of (proto)planets. The ALMA images triggered numerous theoretical studies based on disk–planet interactions, magnetically driven disk structures, and grain evolution. Of special interest are the inner parts of disks, where terrestrial planets are expected to form. However, the emission from these regions in HL Tau turned out to be optically thick at all ALMA wavelengths, preventing the derivation of surfacemore » density profiles and grain-size distributions. Here, we present the most sensitive images of HL Tau obtained to date with the Karl G. Jansky Very Large Array at 7.0 mm wavelength with a spatial resolution comparable to the ALMA images. At this long wavelength, the dust emission from HL Tau is optically thin, allowing a comprehensive study of the inner disk. We obtain a total disk dust mass of (1–3) × 10{sup −3} M {sub ⊙}, depending on the assumed opacity and disk temperature. Our optically thin data also indicate fast grain growth, fragmentation, and formation of dense clumps in the inner densest parts of the disk. Our results suggest that the HL Tau disk may be actually in a very early stage of planetary formation, with planets not already formed in the gaps but in the process of future formation in the bright rings.« less

Microstructural Evolution during DPRM Process of Semisolid Ledeburitic D2 Tool Steel

PubMed Central

Mohammed, M. N.; Omar, M. Z.; Syarif, J.; Sajuri, Z.; Salleh, M. S.; Alhawari, K. S.

2013-01-01

Semisolid metal processing is a relatively new technology that offers several advantages over liquid processing and solid processing because of the unique behaviour and characteristic microstructure of metals in this state. With the aim of finding a minimum process chain for the manufacture of high-quality production at minimal cost for forming, the microstructural evolution of the ledeburitic AISI D2 tool steel in the semisolid state was studied experimentally. The potential of the direct partial remelting (DPRM) process for the production of AISI D2 with a uniform globular microstructure was revealed. The liquid fraction was determined using differential scanning calorimetry. The microstructures of the samples were investigated using an optical microscope and a scanning electron microscope equipped with an energy dispersive spectroscopy analyser, while X-ray phase analysis was performed to identify the phase evolution and the type of carbides. Mechanical characterisation was completed by hardness measurements. The typical microstructure after DPRM consists of metastable austenite which was located particularly in the globular grains (average grain size about 50 μm), while the remaining interspaces were filled by precipitated eutectic carbides on the grain boundaries and lamellar network. PMID:24223510

Microstructural evolution during DPRM process of semisolid ledeburitic D2 tool steel.

PubMed

Mohammed, M N; Omar, M Z; Syarif, J; Sajuri, Z; Salleh, M S; Alhawari, K S

2013-01-01

Semisolid metal processing is a relatively new technology that offers several advantages over liquid processing and solid processing because of the unique behaviour and characteristic microstructure of metals in this state. With the aim of finding a minimum process chain for the manufacture of high-quality production at minimal cost for forming, the microstructural evolution of the ledeburitic AISI D2 tool steel in the semisolid state was studied experimentally. The potential of the direct partial remelting (DPRM) process for the production of AISI D2 with a uniform globular microstructure was revealed. The liquid fraction was determined using differential scanning calorimetry. The microstructures of the samples were investigated using an optical microscope and a scanning electron microscope equipped with an energy dispersive spectroscopy analyser, while X-ray phase analysis was performed to identify the phase evolution and the type of carbides. Mechanical characterisation was completed by hardness measurements. The typical microstructure after DPRM consists of metastable austenite which was located particularly in the globular grains (average grain size about 50 μ m), while the remaining interspaces were filled by precipitated eutectic carbides on the grain boundaries and lamellar network.

Microstructural Evolution of Nanocrystalline ZrO2 in a Fe Matrix During High-Temperature Exposure

NASA Astrophysics Data System (ADS)

Raghavendra, K. G.; Dasgupta, Arup; Athreya, C. N.; Jayasankar, K.; Saroja, S.; Subramanya Sarma, V.

2018-06-01

The current study examines the evolution of nanocrystallites of ZrO2 with time and temperature in a Fe-ZrO2 composite. The crystallite sizes were determined through X-ray peak broadening analysis by the Williamson-Hall method together with dark field transmission electron microscopy. The ZrO2 crystallites were found to be stable and retained their sizes at 973 K and 1073 K for hold durations up to 600 minutes. On the other hand, the crystallites were seen to grow at 1173 K and reached up to 200 nm for a hold time of 600 minutes. The Ostwald ripening model was adopted to understand crystallite growth while a dislocation-driven pipe diffusion was adopted for understanding the kinetics of grain growth. The activation energy of grain growth was calculated as 379 kJ mol-1. The modeled and experimentally calculated size evolutions with time and temperature were shown to be in good agreement with each other. A detailed discussion on the kinetics and activation energy of grain growth of ZrO2 crystallites in a Fe matrix is presented in this manuscript.

The effect of syntectonic hydration on rock strength, fabric evolution, and polycrystalline flow in mafic lower continental crust rocks

NASA Astrophysics Data System (ADS)

Getsinger, A.; Hirth, G.

2014-12-01

Strain localization is significantly enhanced by the influx of fluid; however, processes associated with deformation in polycrystalline material, fluid infiltration, and the evolution of creep processes and rock fabric with increasing strain localization are not well constrained for many lower crust lithologies. We combine field and experimental observations of mafic rocks deforming at lower crust pressure, temperature, and water conditions to examine strain localization processes associated with the influx of fluid, strength dependence of fabric evolution, and flow law parameters for amphibolite. General shear experiments were conducted in a Griggs rig on powdered basalt (≤5 µm starting grain size) with up to 1 wt% water at lower continental crust conditions (750˚ to 850˚C, 1GPa). Amphibole formed during deformation exhibits both a strong shape preferred orientation (SPO) and lattice preferred orientation (LPO). With increasing strain, the amphibole (and clinopyroxene) LPO strengthens and rotates to [001] maximum aligned sub-parallel to the flow direction and SPO, which indicates grain rotation during deformation. Plagioclase LPO increases from random to very weak in samples deformed to high strain. As the amphibole LPO rotates and strengthens, the mechanical strength decreases. The correlation of the SPO and LPO coupled with the rheological evidence for diffusion creep (n ≈ 1.5) indicates that the amphibole fabric results from grain growth and rigid grain rotation during deformation. The coevolution of LPO (and grain rotation) and mechanical weakening coupled with the absence of grain size reduction in our samples suggests that strength depends on the formation of a strong mineral LPO. Both our field and experimental data demonstrate that fluid intrusion into the mafic lower crust initiates syn-deformational, water-consuming reactions, creating a rheological contrast between wet and dry lithologies that promotes strain localization. Additionally, the rheology of both naturally deformed amphibolite shear zones and our fine-grained experimental amphibolite is comparable to that predicted using flow laws for wet anorthite. Thus, both our experimental and field analyses indicate that wet plagioclase rheology provides a good constraint on the strength of hydrated lower continental crust.

The evolution of halophytes, glycophytes and crops, and its implications for food security under saline conditions.

PubMed

Cheeseman, John M

2015-04-01

The effective development of salt tolerant crops requires an understanding that the evolution of halophytes, glycophytes and our major grain crops has involved significantly different processes. Halophytes (and other edaphic endemics) generally arose through colonization of habitats in severe disequilibrium by pre-adapted individuals, rather than by gradual adaptation from populations of 'glycophytes'. Glycophytes, by contrast, occur in low sodium ecosystems, where sodium was and is the major limiting nutrient in herbivore diets, suggesting that their evolution reflects the fact that low sodium individuals experienced lower herbivory and had higher fitness. For domestication/evolution of crop plants, the selective pressure was human imposed and involved humans co-opting functions of defense and reproductive security. Unintended consequences of this included loss of tolerance to various stresses and loss of the genetic variability needed to correct that. Understanding, combining and manipulating all three modes of evolution are now critical to the development of salt tolerant crops, particularly those that will offer food security in countries with few economic resources and limited infrastructure. Such efforts will require exploiting the genetic structures of recently evolved halophytes, the genetic variability of model plants, and endemic halophytes and 'minor' crops that already exist. © 2014 The Author. New Phytologist © 2014 New Phytologist Trust.

Modelling of the sublimation of icy grains in the coma of comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Gicquel, A.; Vincent, J.-B.; Shi, X.; Sierks, H.; Rose, M.; Güttler, C.; Tubiana, C.

2015-10-01

The ESA (European Space Agency) Rosetta spacecraft was launched on 2 March 2004, to reach comet 67P/Churyumov-Gerasimenko in August 2014. Since March 2014, images of the nucleus and the coma (gas and dust) of the comet have been acquired by the OSIRIS (Optical, Spectroscopic, and Infrared Remote Imaging System) camera system [1] using both, the wide angle camera (WAC) and the narrow angle camera (NAC). The orbiter will be maintained in the vicinity of the comet until perihelion (Rh=1.3 AU) or even until Rh=1.8 AU post-perihelion (December 2015). Nineteen months of uninterrupted, close-up observations of the gas and dust coma will be obtained and will help to characterize the evolution of comet gas and dust activity during its approach to the Sun. Indeed, for the first time, we will follow the development of a comet's coma from a close distance. Also the study of the dust-gas interaction in the coma will highlight the sublimation of icy grains. Even if the sublimation of icy grains is known, it is not yet integrated in a complete dust-gas model. We are using the Direct Simulation Monte Carlo (DSMC) method to study the gas flow close to the nucleus. The code called PI-DSMC (www.pidsmc. com) can simulate millions of molecules for multiple species.When the gas flow is simulated, we inject the dust particle with a zero velocity and we take into account the 3 forces acting on the grains in a cometary environment (drag force, gravity and radiative pressure). We used the DLL (Dynamic Link Library) model to integrate the sublimation of icy grains in the gas flowand allow studying the effect of the additional gas on the dust particle trajectories. For a quantitative analysis of the sublimation of icy, outflowing grains we will consider an ensemble of grains of various radii with different compositions [2] The evolution of the grains, once they are ejected into the coma, depends on their initial size, their composition and the heliocentric distance (because the temperature of the grain is higher close to the Sun). The grain temperatures will be derived by assuming equilibrium between the energy absorbed from the Sun, the energy re-radiated in the infrared, and the cooling by sublimation. We will use Mie theory [3, 4] to compute the scattering properties of an assumed grain (grain size, shape and composition, including mineralogy and porosity). We follow the evolution of grains until the icy layer sublimates completely. Once ejected in the gas flow, the generated molecules have no preferred direction. First results highlighted that the sublimation has a significant influence on the dust trajectories and generates a gas cloud that moves with the velocity of the icy grains. Our model can produce artificial images for a wide range of parameters, including outgassing rate, surface temperature, dust properties and sublimation of icy grains. The results of this model will be compared to the images obtained with OSIRIS camera and to the published data from other instruments.

Fault rock texture and porosity type in Triassic dolostones

NASA Astrophysics Data System (ADS)

Agosta, Fabrizio; Grieco, Donato; Bardi, Alessandro; Prosser, Giacomo

2015-04-01

Preliminary results of an ongoing project aimed at deciphering the micromechanics and porosity evolution associated to brittle deformation of Triassic dolostones are presented. Samples collected from high-angle, oblique-slip, 10's to 100's m-throw normal faults crosscutting Mesozoic carbonates of the Neo Tethys (Campanian-Lucanian Platform) are investigated by mean of field geological mapping, optical microscopy, SEM and image analyses. The goal is to characterize in detail composition, texture and porosity of cataclastic rocks in order to assess the structural architecture of dolomitic fault cores. Moreover, the present study addresses the time-space control exerted by several micro-mechanisms such as intragranular extensional fracturing, chipping and shear fracturing, which took place during grain rolling and crushing within the evolving faults, on type, amount, dimensions and distribution of micropores present within the cataclastic fault cores. Study samples are representative of well-exposed dolomitic fault cores of oblique-slip normal faults trending either NW-SE or NE-SW. The high-angle normal faults crosscut the Mesozoic carbonates of the Campanian-Lucanian Platform, which overrode the Lagonegro succession by mean of low-angle thrust faults. Fault throws are measured by considering the displaced thrust faults as key markers after large scale field mapping (1:10,000 scale) of the study areas. In the field, hand samples were selected according to their distance from main slip surfaces and, in some case, along secondary slip surfaces. Microscopy analysis of about 100 oriented fault rock samples shows that, mostly, the study cataclastic rocks are made up of dolomite and sparse, minute survivor silicate grains deriving from the Lagonegro succession. In order to quantitatively assess the main textural classes, a great attention is paid to the grain-matrix ratio, grain sphericity, grain roundness, and grain sorting. By employing an automatic box-counting technique, the fractal dimension of representative samples is also computed. Results of such a work shows that five main textural types are present: 1) fractured and fragmented dolomites; 2) protocataclasites characterized by intense intragranular extensional fracturing; 3) cataclasites due to a chipping-dominated mechanism; 4) cataclasites and ultracataclasites with pronounced shear fracturing; 5) cemented fault rocks, which localize along the main slip surfaces. The first four textural types are therefore indicative to the fault rock maturity within individual cataclastic fault cores. A negative correlation among grain-matrix ratio and grain sphericity, roundness and sorting is computed, which implies that ultracataclasites are made up of more spherical and rounded smaller grains relative to cataclasites and protocataclasites. Each textural type shows distinct D0-values (box-counting dimension). As expected, a good correlation between the D0-value and fault rock maturity is computed. Ongoing analysis of selected images obtained from representative samples of the five textural classes will shed lights on the relative role played by the aforementioned micro-mechanisms on the porosity evolution within the cataclastic fault cores.

Floral trait evolution associated with shifts between insect and wind pollination in the dioecious genus Leucadendron (Proteaceae).

PubMed

Welsford, Megan R; Hobbhahn, Nina; Midgley, Jeremy J; Johnson, Steven D

2016-01-01

Transitions between animal and wind pollination have occurred in many lineages and have been linked to various floral modifications, but these have seldom been assessed in a phylogenetic framework. In the dioecious genus Leucadendron (Proteaceae), transitions from insect to wind pollination have occurred at least four times. Using analyses that controlled for relatedness among Leucadendron species, we investigated how these transitions shaped the evolution of floral structural and signaling traits, including the degree of sexual dimorphism in these traits. Pollen grains of wind-pollinated species were found to be smaller, more numerous, and dispersed more efficiently in wind than were those of insect-pollinated species. Wind-pollinated species also exhibited a reduction in spectral contrast between showy subtending leaves and background foliage, reduced volatile emissions, and a greater degree of sexual dimorphism in color and scent. Uniovulate flowers and inflorescence condensation are conserved ancestral features in Leucadendron and likely served as exaptations in shifts to wind pollination. These results offer insights into the key modifications of male and female floral traits involved in transitions between insect and wind pollination. © 2015 The Author(s). Evolution © 2015 The Society for the Study of Evolution.

Mechanical Properties of a Superalloy Disk with a Dual Grain Structure

NASA Technical Reports Server (NTRS)

Gayda, John; Gabb, Timothy; Kantzos, Peter

2003-01-01

Mechanical properties from an advanced, nickel-base superalloy disk, with a dual grain structure consisting of a fine grain bore and coarse grain rim, were evaluated. The dual grain structure was produced using NASA's low cost Dual Microstructure Heat Treatment (DMHT) process. The results showed the DMHT disk to have a high strength, fatigue resistant bore comparable to a subsolvus (fine grain) heat treated disk, and a creep resistant rim comparable to a supersolvus (coarse grain) heat treated disk. Additional work on subsolvus solutioning before or after the DMHT conversion appears to be a viable avenue for further improvement in disk properties.

Cyclic Spin Testing of Superalloy Disks With a Dual Grain Microstructure

NASA Technical Reports Server (NTRS)

Gayda, John; Kantzos, Pete

2005-01-01

An aggressive cyclic spin test program was run to verify the reliability of superalloy disks with a dual grain structure, fine grain bore and coarse grain rim, utilizing a disk design with web holes bisecting the grain size transition zone. Results of these tests were compared with conventional disks with uniform grain structures. Analysis of the test results indicated the cyclic performance of disks with a dual grain structure could be estimated to a level of accuracy which does not appear to prohibit the use of this technology in advanced gas turbine engines, although further refinement of lifing methodology is clearly warranted.

Modeling of the static recrystallization for 7055 aluminum alloy by cellular automaton

NASA Astrophysics Data System (ADS)

Zhang, Tao; Lu, Shi-hong; Zhang, Jia-bin; Li, Zheng-fang; Chen, Peng; Gong, Hai; Wu, Yun-xin

2017-09-01

In order to simulate the flow behavior and microstructure evolution during the pass interval period of the multi-pass deformation process, models of static recovery (SR) and static recrystallization (SRX) by the cellular automaton (CA) method for the 7055 aluminum alloy were established. Double-pass hot compression tests were conducted to acquire flow stress and microstructure variation during the pass interval period. With the basis of the material constants obtained from the compression tests, models of the SR, incubation period, nucleation rate and grain growth were fitted by least square method. A model of the grain topology and a statistical computation of the CA results were also introduced. The effects of the pass interval time, temperature, strain, strain rate and initial grain size on the microstructure variation for the SRX of the 7055 aluminum alloy were studied. The results show that a long pass interval time, large strain, high temperature and large strain rate are beneficial for finer grains during the pass interval period. The stable size of the static recrystallized grain is not concerned with the initial grain size, but mainly depends on the strain rate and temperature. The SRX plays a vital role in grain refinement, while the SR has no effect on the variation of microstructure morphology. Using flow stress and microstructure comparisons of the simulated and experimental CA results, the established CA models can accurately predict the flow stress and microstructure evolution during the pass interval period, and provide guidance for the selection of optimized parameters for the multi-pass deformation process.

The Effect of Ca Content on the Microstructure, Hardness and Tensile Properties of AZ81 Mg Cast Alloy

NASA Astrophysics Data System (ADS)

Allameh, S. H.; Emamy, M.

2017-05-01

The effects of various Ca contents (0.1-4 wt.%) on the microstructure and tensile properties of AZ81 magnesium alloy were investigated with the contribution of an analytical method. Ca addition (up to 1.0 wt.%) refined the alloy microstructure but further addition of Ca resulted in a coarse structure and introduced large dendrites within the grains. The changes in the microstructures revealed that Al4Ca, Al2Ca, τ-Mg32(A1,Zn)49 and ɛ-MgZn intermetallics are formed in the alloy as a result of Ca addition and Al consumption. The assessment of tensile properties of AZ81-1.0 wt.%Ca alloy showed the optimum values of yield strength and ultimate tensile strength, while AZ81-0.7 wt.%Ca alloy showed maximum elongation. The reduction in tensile properties of the cast alloy by the addition of more Ca was attributed to grain coarsening and evolution of a network of intermetallic compounds. FF study of tensile fractured surfaces indicated that Ca addition encourages brittle mode of fracture propagating through precipitated intermetallics in the structure.

Evolution of weld metal microstructure in shielded metal arc welding of X70 HSLA steel with cellulosic electrodes: A case study

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

Ghomashchi, Reza, E-mail: reza.ghomashchi@adelaide.edu.au; Costin, Walter; Kurji, Rahim

2015-09-15

The microstructure of weld joint in X70 line pipe steel resulted from shielded metal arc welding with E6010 cellulosic electrodes is characterized using optical and electron microscopy. A range of ferritic morphologies have been identified ranging from polygonal inter- and intra-prior austenite grains allotriomorphic, idiomorphic ferrites to Widmanstätten, acicular and bainitic ferrites. Electron Backscatter Diffraction (EBSD) analysis using Image Quality (IQ) and Inverse Pole Figure (IPF) maps through superimposition of IQ and IPF maps and measurement of percentages of high and low angle grain boundaries was identified to assist in differentiation of acicular ferrite from Widmanstätten and bainitic ferrite morphologies.more » In addition two types of pearlitic structures were identified. There was no martensite detected in this weld structure. The morphology, size and chemistry of non-metallic inclusions are also discussed briefly. - Highlights: • Application of EBSD reveals orientation relationships in a range of phases for shielded metal arc welding of HSLA steel. • Nucleation sites of various ferrite morphologies identified • Formation of upper and lower bainite and their morphologies.« less

Structure and phase composition of ultrafine-grained TiNb alloy after high-temperature annealings

NASA Astrophysics Data System (ADS)

Eroshenko, Anna Yu.; Glukhov, Ivan A.; Mairambekova, Aikol; Tolmachev, Alexey I.; Sharkeev, Yurii P.

2017-12-01

The paper presents the experimental data observed in the microstructure and phase composition of ultrafine-grained Ti-40 mass % Nb (Ti40Nb) alloy after high-temperature annealings. The ultrafine-grained Ti40Nb alloy is produced by severe plastic deformation (SPD). This method includes multiple abc-pressing and multi-pass rolling followed by further pre-recrystallizing annealing which, in its turn, enhances the formation of ultrafine-grained structures with mean size of 0.28 µm involving stable β- and α-phase and metastable nanosized ω-phase in the alloy. It is shown that annealing at 500°C preserves the ultrafine-grained structure and phase composition. In cases of annealing at 800°C the ultrafine-grained state transforms into the coarse-grained state. The stable β-phase and the nanosized metastable ω-phase have been identified in the coarse-grained structure.

A More Fine-Grained Measure of Students' Acceptance of Evolution: Development of the Inventory of Student Evolution Acceptance—I-SEA

NASA Astrophysics Data System (ADS)

Nadelson, Louis S.; Southerland, Sherry

2012-07-01

The potential influences of affective perceptions on cognitive engagement in learning, particularly with emotionally charged topics such as evolution, provide justification for acknowledging and assessing learners' attitudes toward content. One approach to determining students' attitudes toward a construct is to explicitly ask them to what degree they accept the related content. This was the approach we took as we developed the Inventory of Student Evolution Acceptance. Our goal was to make a finer-grained instrument that would assess acceptance on three evolution subscales: microevolution, macroevolution, and human evolution. Further, we sought to not conflate understanding with acceptance of the constructs. We began our instrument development with a series of interviews and open-ended questionnaires to determine students' perceptions of evolution acceptance. Based on the responses we developed and field tested a 49-item Likert scale instrument with stems distributed across our three targeted subscales. Using the data from our field test, we reduced the instrument to 24 items evenly distributed across the three subscales, and the revised instrument was again field tested with high school and undergraduate college students. The final instrument has an internal reliability of Cronbach's alpha of 0.96 and the items loaded onto three components that reflect documented evolution acceptance conditions. The instrument development, implications, and applications are discussed.

Laboratory investigations

NASA Technical Reports Server (NTRS)

Russell, Ray W.

1988-01-01

Laboratory studies related to cometary grains and the nuclei of comets can be broken down into three areas which relate to understanding the spectral properties, the formation mechanisms, and the evolution of grains and nuclei: (1) Spectral studies to be used in the interpretation of cometary spectra; (2) Sample preparation experiments which may shed light on the physical nature and history of cometary grains and nuclei by exploring the effects on grain emissivities resulting from the ways in which the samples are created; and (3) Grain processing experiments which should provide insight on the interaction of cometary grains with the environment in the immediate vicinity of the cometary nucleus as the comet travels from the Oort cloud through perihelion, and perhaps even suggestions regarding the relationship between interstellar grains and cometary matter. A summary is presented with a different view of lab experiments than is found in the literature, concentrating on measurement techniques and sample preparations especially relevant to cometary dust.

Location specific solidification microstructure control in electron beam melting of Ti-6Al-4V

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

Narra, Sneha P.; Cunningham, Ross; Beuth, Jack

Relationships between prior beta grain size in solidified Ti-6Al-4V and melting process parameters in the Electron Beam Melting (EBM) process are investigated. Samples are built by varying a machine-dependent proprietary speed function to cover the process space. Optical microscopy is used to measure prior beta grain widths and assess the number of prior beta grains present in a melt pool in the raster region of the build. Despite the complicated evolution of beta grain sizes, the beta grain width scales with melt pool width. The resulting understanding of the relationship between primary machine variables and prior beta grain widths ismore » a key step toward enabling the location specific control of as-built microstructure in the EBM process. Control of grain width in separate specimens and within a single specimen is demonstrated.« less

Atomisti modeling of the microstructure and transport properties of lead-free solder alloys

NASA Astrophysics Data System (ADS)

Sellers, Michael S.

Damage mechanics models of lead-free solder joints in nanoelectronics continue to improve, and in doing so begin to utilize quantitative values describing processes at the atomic level, governing phenomena like electromigration and thermomigration. In particular, knowledge of the transport properties of specific microstructures helps continuum level models fully describe these larger-scale damage phenomena via multi-scale analysis. For example, diffusivities for different types of grain boundaries (fast diffusion paths for solvent and solute atoms, and vacancies), and a description of the boundary structure as a function of temperature, are critical in modeling solder microstructure evolution and, consequently, joint behavior under extreme temperature and electric current. Moreover, for damage that develops at larger length scales, surface energies and diffusivities play important roles in characterizing void stability and morphology. Unfortunately, experiments that investigate these kind of damage phenomena in the atomistic realm are often inconsistent or unable to directly quantify important parameters. One case is the particular transport and structural properties of grain boundaries in Sn (the main component in lead-free solder alloys) and their behavior in the presence of Ag and Cu impurities. This information is crucial in determining accurate diffusivity values for the common SnAgCu (SAC) type solder. Although an average grain boundary diffusivity has been reported for polycrystalline Sn in several works, the value for grain boundary width is estimated and specific diffusivities for boundaries known to occur in Sn have not been reported, to say nothing of solute effects on Sn diffusivity and grain boundary structure. Similarly, transport properties of Sn surfaces remain relatively uninvestigated as well. These gaps and inconsistencies in atomistic data must be remedied for micro- and macro-scale modeling to improve. As a complement to experimental work and possessing the ability to fill in the gaps, molecular simulation serves to reinforce experimental predictions and provide insight into the atomistic processes that govern studied phenomena. In the present body of work, we employ molecular statics and dynamics simulations in the characterization and computation of betaSn surface energies and surface diffusivities, the determination of diffusivities and structural properties of specific betaSn grain boundaries, and the investigation of Cu and Ag solute effects on betaSn grain boundaries. In our study of betaSn surfaces, energies for low number Miller index surfaces are computed and the (100) plane is found to have the lowest un-relaxed energy. We then find that two simple hopping mechanisms dominate adatom diffusion transitions on this surface. For each, we determine hopping rates of the adatom and compute its tracer diffusivity. Our work on grain boundaries investigates the self-diffusion properties and structure of several betaSn symmetric tilt grain boundaries using molecular dynamics simulations. We find that larger diffusive widths are exhibited by higher excess potential energy grain boundaries. Diffusivities in the directions parallel to the interface plane are also computed and activation energies are found with the Arrhenius relation. These are shown to agree well with experimental data. Finally, we examine the effect that solute atoms of Ag and Cu have on the microstructure of betaSn. Excess energies of the (101) symmetric tilt betaSn grain boundary are computed as a function of solute concentration at the interface, and we show that Ag lowers the energy at a greater rate than Cu. We also quantify segregation enthalpies and critical solute concentrations (where the excess energy of the boundary is reduced to zero). The effect of solute type on shear stress is also examined, and we show that solute has a strong effect on the stabilization of higher energy grain boundaries under shear stress. We then look at the self-diffusivity of Sn in the (101) symmetric tilt betaSn grain boundary and show that adding both Ag or Cu decrease the grain boundary self-diffusivity of Sn as solute amount in the interface increases. Effects of larger concentrations of Cu in particular are also investigated.

Understanding luminescence properties of grain boundaries in GaN thin films and their atomistic origin

NASA Astrophysics Data System (ADS)

Yoo, Hyobin; Yoon, Sangmoon; Chung, Kunook; Kang, Seoung-Hun; Kwon, Young-Kyun; Yi, Gyu-Chul; Kim, Miyoung

2018-03-01

We report our findings on the optical properties of grain boundaries in GaN films grown on graphene layers and discuss their atomistic origin. We combine electron backscatter diffraction with cathodoluminescence to directly correlate the structural defects with their optical properties, enabling the high-precision local luminescence measurement of the grain boundaries in GaN films. To further understand the atomistic origin of the luminescence properties, we carefully probed atomic core structures of the grain boundaries by exploiting aberration-corrected scanning transmission electron microscopy. The atomic core structures of grain boundaries show different ordering behaviors compared with those observed previously in threading dislocations. Energetics of the grain boundary core structures and their correlation with electronic structures were studied by first principles calculation.

Grain boundary, triple junction and quadruple point mobility controlled normal grain growth

NASA Astrophysics Data System (ADS)

Rios, P. R.; Glicksman, M. E.

2015-07-01

Reduction in stored free energy provides the thermodynamic driving force for grain and bubble growth in polycrystals and foams. Evolution of polycrystalline networks exhibit the additional complication that grain growth may be controlled by several kinetic mechanisms through which the decrease in network energy occurs. Polyhedral boundaries, triple junctions (TJs), and quadruple points (QPs) are the geometrically distinct elements of three dimensional networks that follow Plateau's rules, provided that grain growth is limited by diffusion through, and motion of, cell boundaries. Shvindlerman and co-workers have long recognized the kinetic influences on polycrystalline grain growth of network TJs and QPs. Moreover, the emergence of interesting polycrystalline nanomaterials underscored that TJs can indeed influence grain growth kinetics. Currently there exist few detailed studies concerned either with network distributions of grain size, number of faces per grain, or with 'grain trajectories', when grain growth is limited by the motion of its TJs or QPs. By contrast there exist abundant studies of classical grain growth limited by boundary mobility. This study is focused on a topological/geometrical representation of polycrystals to obtain statistical predictions of the grain size and face number distributions, as well as growth 'trajectories' during steady-state grain growth. Three limits to grain growth are considered, with grain growth kinetics controlled by boundary, TJ, and QP mobilities.

Evolution of allowable stresses in shear for lumber

Treesearch

Robert L. Ethington; William L. Galligan; Henry M. Montrey; Alan D. Freas

1979-01-01

This paper surveys research leading to allowable shear stress parallel to grain for lumber. In early flexure tests of lumber, some pieces failed in shear. The estimated shear stress at time of failure was generally lower than shear strength measured on small, clear, straight-grained specimens. This and other engineering observations gave rise to adjustments that...

Microstructural evolution of SiC joints soldered using Zn-Al filler metals with the assistance of ultrasound.

PubMed

Wu, Bingzhi; Leng, Xuesong; Xiu, Ziyang; Yan, Jiuchun

2018-06-01

SiC ceramics were successfully soldered with the assistance of ultrasound. Two kinds of filler metals, namely non-eutectic Zn-5Al-3Cu and eutectic Zn-5Al alloys, were used. The effects of ultrasonic action on the microstructure and mechanical properties of the soldered joints were investigated. The results showed that ultrasound could promote the wetting and bonding between the SiC ceramic and filler metals within tens of seconds. For the Zn-5Al-3Cu solder, a fully grain-refined structure in the bond layer was obtained as the ultrasonic action time increased. This may lead to a substantial enhancement in the strength of the soldered joints. For the Zn-5Al solder, the shear strength of the soldered joints was only ∼102 MPa when the ultrasonic action time was shorter, and fractures occurred in the brittle lamellar eutectic phases in the center of the bond layer. With increasing ultrasonic action time, the lamellar eutectic phase in the bond layer of SiC joints could be completely transformed to a fine non-lamellar eutectic structure. Meanwhile, the grains in the bond layer were obviously refined. Those results led to the remarkable enhancement of the shear strength of the joints (∼138 MPa) using the Zn-5Al solder, which had approached that enhancement using the Zn-5Al-3Cu solder. The enhanced mechanical properties of the joints were attributed to the significant refinement of the grains and the change in the eutectic structure in the bond layer. Prolonged enhanced heterogeneous nucleation triggered by ultrasonic cavitation is the predominant refinement mechanism of the bond metals of the SiC joints. Copyright © 2018 Elsevier B.V. All rights reserved.

Stepwise morphological evolution of the active Yellow River (Huanghe) delta lobe (1976-2013): Dominant roles of riverine discharge and sediment grain size

NASA Astrophysics Data System (ADS)

Wu, Xiao; Bi, Naishuang; Xu, Jingping; Nittrouer, Jeffrey A.; Yang, Zuosheng; Saito, Yoshiki; Wang, Houjie

2017-09-01

The presently active Yellow River (Huanghe) delta lobe has been formed since 1976 when the river was artificially diverted. The process and driving forces of morphological evolution of the present delta lobe still remain unclear. Here we examined the stepwise morphological evolution of the active Yellow River delta lobe including both the subaerial and the subaqueous components, and illustrated the critical roles of riverine discharge and sediment grain size in dominating the deltaic evolution. The critical sediment loads for maintaining the delta stability were also calculated from water discharge and sediment load measured at station Lijin, the last gauging station approximately 100 km upstream from the river mouth. The results indicated that the development of active delta lobe including both subaerial and subaqueous components has experienced four sequential stages. During the first stage (1976-1981) after the channel migration, the unchannelized river flow enhanced deposition within the channel and floodplain between Lijin station and the river mouth. Therefore, the critical sediment supply calculated by the river inputs obtained from station Lijin was the highest. However, the actual sediment load at this stage (0.84 Gt/yr) was more than twice of the critical sediment load ( 0.35 Gt/yr) for sustaining the active subaerial area, which favored a rapid seaward progradation of the Yellow River subaerial delta. During the second stage (1981-1996), the engineering-facilitated channelized river flow and the increase in median grain size of suspended sediment delivered to the sea resulted in the critical sediment load for keeping the delta stability deceasing to 0.29 Gt/yr. The active delta lobe still gradually prograded seaward at an accretion rate of 11.9 km2/yr at this stage as the annual sediment load at Lijin station was 0.55 Gt/yr. From 1996 to 2002, the critical sediment load further decreased to 0.15 Gt/yr with the sediment grain size increased to 22.5 μm; however, the delta suffered net erosion because of the insufficient sediment supply (0.11 Gt/yr). In the most recent stage (2002 - 2013), the intensive scouring of the lower river channel induced by the dam regulation provided relatively coarser sediment, which effectively reduced the critical sediment load to 0.06 Gt/yr, much lower than the corresponding sediment load at Lijin station ( 0.16 Gt/yr). Consequently, the subaerial Yellow River delta transitioned to a slight accretion phase. Overall, the evolution of the active Yellow River delta is highly correlated to riverine water and sediment discharge. The sediment supply for keeping the subaerial delta stability is inconstant and varying with the river channel morphology and sediment grain size. We conclude that the human-impacted riverine sediment discharge and grain-size composition play dominant roles in the stepwise morphological evolution of the active delta lobe.

Self-ion irradiation effects on mechanical properties of nanocrystalline zirconium films

DOE PAGES

Wang, Baoming; Haque, M. A.; Tomar, Vikas; ...

2017-07-13

Zirconium thin films were irradiated at room temperature with an 800 keV Zr + beam using a 6 MV HVE Tandem accelerator to 1.36 displacement per atom damage. Freestanding tensile specimens, 100 nm thick and 10 nm grain size, were tested in-situ inside a transmission electron microscope. Significant grain growth (>300%), texture evolution, and displacement damage defects were observed. Here, stress-strain profiles were mostly linear elastic below 20 nm grain size, but above this limit the samples demonstrated yielding and strain hardening. Experimental results support the hypothesis that grain boundaries in nanocrystalline metals act as very effective defect sinks.

Nonlinear evolution of coarse-grained quantum systems with generalized purity constraints

NASA Astrophysics Data System (ADS)

Burić, Nikola

2010-12-01

Constrained quantum dynamics is used to propose a nonlinear dynamical equation for pure states of a generalized coarse-grained system. The relevant constraint is given either by the generalized purity or by the generalized invariant fluctuation, and the coarse-grained pure states correspond to the generalized coherent, i.e. generalized nonentangled states. Open system model of the coarse-graining is discussed. It is shown that in this model and in the weak coupling limit the constrained dynamical equations coincide with an equation for pointer states, based on Hilbert-Schmidt distance, that was previously suggested in the context of the decoherence theory.

Pt deposited TiO2 catalyst fabricated by thermal decomposition of titanium complex for solar hydrogen production

NASA Astrophysics Data System (ADS)

Truong, Quang Duc; Le, Thanh Son; Ling, Yong-Chien

2014-12-01

C, N codoped TiO2 catalyst has been synthesized by thermal decomposition of a novel water-soluble titanium complex. The structure, morphology, and optical properties of the synthesized TiO2 catalyst were characterized by X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, and UV-vis diffuse reflectance spectroscopy. The photocatalytic activity of the Pt deposited TiO2 catalysts synthesized at different temperatures was evaluated by means of hydrogen evolution reaction under both UV-vis and visible light irradiation. The investigation results reveal that the photocatalytic H2 evolution rate strongly depended on the crystalline grain size as well as specific surface area of the synthesized catalyst. Our studies successfully demonstrate a simple method for the synthesis of visible-light responsive Pt deposited TiO2 catalyst for solar hydrogen production.

Grain Cluster Microstructure and Grain Boundary Character Distribution in Alloy 690

NASA Astrophysics Data System (ADS)

Xia, Shuang; Zhou, Bangxin; Chen, Wenjue

2009-12-01

The effects of thermal-mechanical processing (TMP) on microstructure evolution during recrystallization and grain boundary character distribution (GBCD) in aged Alloy 690 were investigated by the electron backscatter diffraction (EBSD) technique and optical microscopy. The original grain boundaries of the deformed microstructure did not play an important role in the manipulation of the proportion of the Σ3 n ( n = 1, 2, 3…) type boundaries. Instead, the grain cluster formed by multiple twinning starting from a single nucleus during recrystallization was the key microstructural feature affecting the GBCD. All of the grains in this kind of cluster had Σ3 n mutual misorientations regardless of whether they were adjacent. A large grain cluster containing 91 grains was found in the sample after a small-strain (5 pct) and a high-temperature (1100 °C) recrystallization anneal, and twin relationships up to the ninth generation (Σ39) were found in this cluster. The ratio of cluster size over grain size (including all types of boundaries as defining individual grains) dictated the proportion of Σ3 n boundaries.

DUST DYNAMICS IN PROTOPLANETARY DISK WINDS DRIVEN BY MAGNETOROTATIONAL TURBULENCE: A MECHANISM FOR FLOATING DUST GRAINS WITH CHARACTERISTIC SIZES

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

Miyake, Tomoya; Suzuki, Takeru K.; Inutsuka, Shu-ichiro, E-mail: miyake.tomoya@e.mbox.nagoya-u.ac.jp, E-mail: stakeru@nagoya-u.jp

We investigate the dynamics of dust grains of various sizes in protoplanetary disk winds driven by magnetorotational turbulence, by simulating the time evolution of the dust grain distribution in the vertical direction. Small dust grains, which are well-coupled to the gas, are dragged upward with the upflowing gas, while large grains remain near the midplane of a disk. Intermediate-size grains float near the sonic point of the disk wind located at several scale heights from the midplane, where the grains are loosely coupled to the background gas. For the minimum mass solar nebula at 1 au, dust grains with sizemore » of 25–45 μm float around 4 scale heights from the midplane. Considering the dependence on the distance from the central star, smaller-size grains remain only in an outer region of the disk, while larger-size grains are distributed in a broader region. We also discuss the implications of our result for observations of dusty material around young stellar objects.« less

Thermomechanical In Situ Monitoring of Bi2Te3 Thin Film and Its Relationship with Microstructure and Thermoelectric Performances

NASA Astrophysics Data System (ADS)

Jeong, Min-Woo; Na, Sekwon; Shin, Haishan; Park, Hong-Bum; Lee, Hoo-Jeong; Joo, Young-Chang

2018-07-01

Performance enhancement has been studied for thin-film thermoelectric materials for small-scale energy applications. The microstructural evolution of bismuth telluride (Bi2Te3) was investigated with respect to performance enhancement via in situ thermomechanical analysis due to the post-annealing process. The thermomechanical behavior of Bi2Te3 changes gradually at approximately 200 °C with the formation of a quintuple-layer structure, which was confirmed by X-ray diffraction, transmission electron microscopy and Raman spectroscopy. It was found that highly oriented (006), (0015) was formed with a quintuple-layer structure parallel to the substrate, and the E g 2 Raman vibration mode of Bi2Te3 significantly increased after forming the layer structure with decreased defects. Therefore, the slope of the stress curve was affected by the longer atomic distance of the van der Waals bonds with the formation of (00 l) oriented layered-structure grain. The decreased number of defects in the layer structure affects the electrical and thermal properties of the Bi2Te3 thin film. Due to the microstructural evolution, the power factor of Bi2Te3 was enhanced by approximately 14.8 times by the quintuple-layer structure of Bi2Te3 formed during the annealing process, which contributed to a better understanding of the performance enhancement via post-annealing and to research on other highly oriented layer structure materials.

Thermomechanical In Situ Monitoring of Bi2Te3 Thin Film and Its Relationship with Microstructure and Thermoelectric Performances

NASA Astrophysics Data System (ADS)

Jeong, Min-Woo; Na, Sekwon; Shin, Haishan; Park, Hong-Bum; Lee, Hoo-Jeong; Joo, Young-Chang

2018-04-01

Performance enhancement has been studied for thin-film thermoelectric materials for small-scale energy applications. The microstructural evolution of bismuth telluride (Bi2Te3) was investigated with respect to performance enhancement via in situ thermomechanical analysis due to the post-annealing process. The thermomechanical behavior of Bi2Te3 changes gradually at approximately 200 °C with the formation of a quintuple-layer structure, which was confirmed by X-ray diffraction, transmission electron microscopy and Raman spectroscopy. It was found that highly oriented (006), (0015) was formed with a quintuple-layer structure parallel to the substrate, and the Eg 2Raman vibration mode of Bi2Te3 significantly increased after forming the layer structure with decreased defects. Therefore, the slope of the stress curve was affected by the longer atomic distance of the van der Waals bonds with the formation of (00l) oriented layered-structure grain. The decreased number of defects in the layer structure affects the electrical and thermal properties of the Bi2Te3 thin film. Due to the microstructural evolution, the power factor of Bi2Te3 was enhanced by approximately 14.8 times by the quintuple-layer structure of Bi2Te3 formed during the annealing process, which contributed to a better understanding of the performance enhancement via post-annealing and to research on other highly oriented layer structure materials.

Energetics and structural properties of twist grain boundaries in Cu

NASA Technical Reports Server (NTRS)

Karimi, Majid

1992-01-01

Structural and energetics properties of atoms near a grain boundary are of great importance from theoretical and experimental standpoints. From various experimental work it is concluded that diffusion at low temperatures at polycrystalline materials take place near grain boundary. Experimental and theoretical results also indicate changes of up to 70 percent in physical properties near a grain boundary. The Embedded Atom Method (EAM) calculations on structural properties of Au twist grain boundaries are in quite good agreement with their experimental counterparts. The EAM is believed to predict reliable values for the single vacancy formation energy as well as migration energy. However, it is not clear whether the EAM functions which are fitted to the bulk properties of a perfect crystalline solid can produce reliable results on grain boundaries. One of the objectives of this work is to construct the EAM functions for Cu and use them in conjunction with the molecular static simulation to study structures and energetics of atoms near twist grain boundaries in Cu. This provides tests of the EAM functions near a grain boundary. In particular, we determine structure, single vacancy formation energy, migration energy, single vacancy activation energy, and interlayer spacing as a function of distance from grain boundary. Our results are compared with the available experimental and theoretical results from grain boundaries and bulk.

Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy.

PubMed

Zhang, Hang; Xu, Qingyan

2017-10-27

Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter ( d w ), the spiral pitch ( h b ) and the spiral diameter ( h s ), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure.

Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy

PubMed Central

Zhang, Hang; Xu, Qingyan

2017-01-01

Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter (dw), the spiral pitch (hb) and the spiral diameter (hs), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure. PMID:29077067

Interstellar Ice Chemistry: From Water to Complex Organics

NASA Astrophysics Data System (ADS)

Oberg, Karin I.; Fayolle, E.; Linnartz, H.; van Dishoeck, E.; Fillion, J.; Bertin, M.

2013-06-01

Molecular cloud cores, protostellar envelopes and protoplanetary disk midplanes are all characterized by freeze-out of atoms and molecules (other than H and H2) onto interstellar dust grains. On the grain surface, atom addition reactions, especially hydrogenation, are efficient and H2O forms readily from O, CH3OH from CO etc. The result is an icy mantle typically dominated by H2O, but also rich in CO2, CO, NH3, CH3OH and CH4. These ices are further processed through interactions with radiation, electrons and energetic particles. Because of the efficiency of the freeze-out process, and the complex chemistry that succeeds it, these icy grain mantles constitute a major reservoir of volatiles during star formation and are also the source of much of the chemical evolution observed in star forming regions. Laboratory experiments allow us to explore how molecules and radicals desorb, dissociate, diffuse and react in ices when exposed to different sources of energy. Changes in ice composition and structure is constrained using infrared spectroscopy and mass spectrometry. By comparing ice desorption, segregation, and chemistry efficiencies under different experimental conditions, we can characterize the basic ice processes, e.g. diffusion of different species, that underpin the observable changes in ice composition and structure. This information can then be used to predict the interstellar ice chemical evolution. I will review some of the key laboratory discoveries on ice chemistry during the past few years and how they have been used to predict and interpret astronomical observations of ice bands and gas-phase molecules associated with ice evaporation. These include measurements of thermal diffusion in and evaporation from ice mixtures, non-thermal diffusion efficiencies (including the recent results on frequency resolved UV photodesorption), and the expected temperature dependencies of the complex ice chemistry regulated by radical formation and diffusion. Based on these examples I will argue that the combination of laboratory experiments and observations is crucial to formulate and to test hypotheses on key processes that regulate the interstellar ice chemistry.

Influence of attrition milling on nano-grain boundaries

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

Rawers, J.; Cook, D.

1999-03-01

Nanostructured materials have a relatively large proportion of their atoms associated with the grain boundary, and the method used to develop the nano-grains has a strong influence on the resulting grain boundary structure. In this study, attrition milling iron powders and blends of iron powders produced micron-size particles composed of nano-size grains. Mechanical cold-working powder resulted in dislocation generation, multiplication, and congealing that produced grain refinement. As the grain size approached nano-dimensions, dislocations were no longer sustained within the grain and once generated, rapidly diffused to the grain boundary. Dislocations on the grain boundary strained the local lattice structure which,more » as the grain size decreased, became the entire grain. Mechanical alloying of substitutional aluminium atoms into iron powder resulted in the aluminium atoms substituting for iron atoms in the grain boundary cells and providing a grain boundary structure similar to that of the iron powder processed in argon. Attrition milling iron powder in nitrogen gas resulted in nitrogen atoms being adsorbed onto the particle surface. Continued mechanical milling infused the nitrogen atoms into interstitial lattice sites on the grain boundary which also contributed to expanding and straining the local lattice.« less

Study of cataclastic deformation in compressive tectonic regime of a sandstone from south central Pyrenees, Spain: Timing of deformation bands occurrence during burial history and comparison with geomechanical models.

NASA Astrophysics Data System (ADS)

Robert, Romain; Robion, Philippe; David, Christian; Souloumiac, Pauline; Saillet, Elodie

2017-04-01

In high porosity sandstone lithologies, deformation bands (DBs) are characterized by changes in micro-structural characteristics inducing a localized change in the petrophysical properties of the rock. These DBs, which are generally tabular structures from millimeters to few centimeters thick, can be used at the field scale to decipher extensional or compactional tectonic regime. However, numerous parameters in addition to the tectonic regime may affect development of DBs, and particularly the evolution of porosity during burial history. The aim of this work is to understand the relationship between the DBs occurrence in tectonic shortening regime and the timing of grain cementation that occurs during burial for an analogue to siliciclastic reservoir. For that purpose, we have focused our analysis on the Aren syn-tectonic sandstone formation, maastrichtian in age, localized on the front of the Boixols thrust, on the southern side of the Sant Corneli anticline, in the south central Pyrenees (Spain). The outcrops are localized in the Tremp-Graus basin, all along a 30 km East-West trend where 10 different sites, in which deformation bands are observable, have been investigated and sampled. The structural geometry of the basin is constrained with 3 serial N-S oriented cross sections showing an increase of the shortening from West to East. Our field work strategy was to, 1) measure the orientation of the DBs in each site, 2) take cores both within the DBs and the host rock to conduct systematic thin section investigations, and 3) take oriented cores in order to study the magnetic fabric giving informations on the internal deformation linked to a set of deformation band and regional N-S shortening. Field data show a minimum of two sets of DBs on each site with variation of orientations and densities. These DBs are perpendicular to the strata which prove their early occurrence, recording the initial stages of local deformation and evolution of the Boixols fold and thrust. At the microstructures scale, DBs are characterized by grain crushing with hertzian fractures associated with pore collapse. All these evidences allow us to define these structures as compaction bands. Further microscopical investigation, grain size distribution and initial porosity are determined by image analysis. These data are confronted to geomechanical models in order to investigate the relationship between the occurrences of DBs in the burial history and the diagenesis of the rock during the compressive event.

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

Righettoni, Marco; Pratsinis, Sotiris E., E-mail: sotiris.pratsinis@ptl.mavt.ethz.ch

Highlights: • Flame-made WO{sub 3} nanoparticles with closely controlled crystal and grain size. • Dynamic phase transition of annealing of pure and Si-doped WO{sub 3} by in situ XRD. • Irreversible evolution of WO{sub 3} crystallinity by heating/cooling during its annealing. • Si-doping alters the WO{sub 3} crystallinity dynamics and stabilizes nanosized WO{sub 3}. • Flame-made nano-WO{sub 3} can sense NO at the ppb level. - Abstract: Tungsten trioxide is a semiconductor with distinct applications in gas sensors, catalysis, batteries and pigments. As such the transition between its different crystal structures during its annealing are of interest, especially for sensormore » applications. Here, WO{sub 3} nanoparticles with closely controlled crystal and grain size (9–15 nm) and phase composition are made by flame spray pyrolysis and the formation of different WO{sub 3} phases during annealing is investigated. Most notably, the dynamic phase transition and crystal size evolution of WO{sub 3} during heating and cooling is monitored by in situ X-ray diffraction revealing how metastable WO{sub 3} phases can be captured stably. The effect of Si-doping is studied since it is used in practise to control crystal growth and phase transition during metal oxide synthesis and processing. Finally the influence of annealing on the WO{sub 3} sensing performance of NO, a lung inflammation tracer in the human breath, is explored at the ppb-level.« less

Electric and dielectric behavior of copper-chromium layered double hydroxide intercalated with dodecyl sulfate anions using impedance spectroscopy

NASA Astrophysics Data System (ADS)

Elhatimi, Wafaa; Bouragba, Fatima Zahra; Lahkale, Redouane; Sadik, Rachid; Lebbar, Nacira; Siniti, Mostapha; Sabbar, Elmouloudi

2018-05-01

The Cu2Cr-DS-LDH hybrid was successfully prepared by the anion exchange method at room temperature. The structure, the chemical composition and the physico-chemical properties of the sample were determined using powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA) and inductively coupled plasma (ICP). In this work, the electrical and dielectric properties investigated are determined using impedance spectroscopy (IS) in a frequency range of 1 Hz to 1 MHz. Indeed, the Nyquist diagram modelized by an electrical equivalent circuit showed three contributions attributed respectively to the polarization of grains, grains boundaries and interface electrode-sample. This modelization allowed us to determine the intrinsic electrical parameters of the hybrid (resistance, pseudo-capacitance and relaxation time). The presence of the non-Debye relaxation phenomena was confirmed by the frequency analysis of impedance. Moreover, the evolution of the alternating current conductivity (σac) studied obeys the double power law of Jonscher. The ionic conduction of this material was generated through a jump movement by translation of the charge carriers. As for the dielectric behavior of the material, the evolution of dielectric constant as a function of frequency shows relatively high values in a frequency range between 10 Hz and 1 KHz. The low values of the loss tangent obtained in this frequency zone can valorize this LDH hybrid.

Super-Keplerian Motions in the AU Mic Circumstellar Debris System

NASA Astrophysics Data System (ADS)

Wisniewski, John

2017-08-01

We found enigmatic, few-au-scale features in spatially resolved near-IR scattered light observations of the AU Mic debris disk system obtained with VLT/SPHERE in 2014. We recovered these structures in re-analysis of HST/STIS imagery from 2010/2011, and discovered that they are moving away from the star at super-Keplerian speeds, possibly escaping the system. To-date, these are the only moving features seen in resolved imagery of debris disks. To help diagnose the origin of this phenomenon and in concert with multi-wavelength diagnostics being pursued with other facilities, we propose to use 12 orbits of HST/STIS to re-image the AU Mic scattered light disk from 0.2 (2 au) to 13 (130 au) 8 years after the previous epoch of HST/STIS imagery. HST/STIS provides the only means to trace the motion of structures that have already moved outside the FOV of ground-based extreme-AO imagers, the best means to accurately diagnose the morphological and kinematic evolution of these moving features, and the best means to trace the evolution of small grains in the system. Our optical STIS coronagraphy observations are critically needed to establish the locations and shapes of the blobs, establish their optical fluxes at high photometric fidelity, and therefore enable (IR - optical) colors of disk features to be measured in JWST's cycle-1, using NIRCAM's and MIRI's coronagraphs. These data will constrain the grain size distribution, hence mass, of the moving features and by extension the magnitude of the force that is expelling the features, enabling us to test whether mechanisms like the stellar wind or coronal-mass ejections are responsible for the newly observed phenomenon.

Microstructural and mechanical evolution during deformation and annealing of poly-phase marbles - constraints from laboratory experiments and field observations

NASA Astrophysics Data System (ADS)

Austin, N. J.; Evans, B.; Dresen, G. H.; Rybacki, E.

2009-12-01

Deformed rocks commonly consist of several mineral phases, each with dramatically different mechanical properties. In both naturally and experimentally deformed rocks, deformation mechanisms and, in turn, strength, are commonly investigated by analyzing microstructural elements such as crystallographic preferred orientation (CPO) and recrystallized grain size. Here, we investigated the effect of variations in the volume fraction and the geometry of rigid second phases on the strength and evolution of CPO and grain size of synthetic calcite rocks. Experiments using triaxial compression and torsional loading were conducted at 1023 K and equivalent strain rates between ~2e-6 and 1e-3 s-1. The second phases in these synthetic assemblages are rigid carbon spheres or splinters with known particle size distributions and geometries, which are chemically inert at our experimental conditions. Under hydrostatic conditions, the addition of as little as 1 vol.% carbon spheres poisons normal grain growth. Shape is also important: for an equivalent volume fraction and grain dimension, carbon splinters result in a finer calcite grain size than carbon spheres. In samples deformed at “high” strain rates, or which have “large” mean free spacing of the pinning phase, the final recrystallized grain size is well explained by competing grain growth and grain size reduction processes, where the grain-size reduction rate is determined by the rate that mechanical work is done during deformation. In these samples, the final grain size is finer than in samples heat-treated hydrostatically for equivalent durations. The addition of 1 vol.% spheres to calcite has little effect on either the strength or CPO development. Adding 10 vol.% splinters increases the strength at low strains and low strain rates, but has little effect on the strength at high strains and/or high strain rates, compared to pure samples. A CPO similar to that in pure samples is observed, although the intensity is reduced in samples containing 10 vol.% splinters. When 10 vol.% spheres are added to calcite, the strength of the aggregate is reduced, and a distinct and strong CPO develops. Viscoplastic self consistent calculations were used to model the evolution of CPO in these materials, and these suggest a variation in the activity of the various slip systems within pure samples and those containing 10 vol.% spheres. The applicability of these laboratory observations has been tested with field-based observations made in the Morcles Nappe (Swiss Helvetic Alps). In the Morcles Nappe, calcite grain size becomes progressively finer as the thrust contact is approached, and there is a concomitant increase in CPO intensity, with the strongest CPO’s in the finest-grained, quartz-rich limestones, nearest the thrust contact, which are interpreted to have been deformed to the highest strains. Thus, our laboratory results may be used to provide insight into the distribution of strain observed in natural shear zones.

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

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

Evolution of Near-Surface Internal and External Oxide Morphology During High-Temperature Selective Oxidation of Steels

NASA Astrophysics Data System (ADS)

Story, Mary E.; Webler, Bryan A.

2018-05-01

In this work we examine some observations made using high-temperature confocal scanning laser microscopy (HT-CSLM) during selective oxidation experiments. A plain carbon steel and advanced high-strength steel (AHSS) were selectively oxidized at high temperature (850-900°C) in either low oxygen or water vapor atmospheres. Surface evolution, including thermal grooving along grain boundaries and oxide growth, was viewed in situ during heating. Experiments investigated the influence of the microstructure and oxidizing atmosphere on selective oxidation behavior. Sequences of CSLM still frames collected during the experiment were processed with ImageJ to obtain histograms that showed a general darkening trend indicative of oxidation over time with all samples. Additional ex situ scanning electron microscopy and energy dispersive spectroscopy analysis supported in situ observations. Distinct oxidation behavior was observed for each case. Segregation, grain orientation, and extent of internal oxidation were all found to strongly influence surface evolution.

Influence of Deformation Mechanisms on the Mechanical Behavior of Metals and Alloys: Experiments, Constitutive Modeling, and Validation

NASA Astrophysics Data System (ADS)

Gray, G. T.; Cerreta, E.; Chen, Shuh Rong; Maudlin, P. J.

2004-06-01

Jim Williams has made seminal contributions to the field of structure / property relations and its controlling effects on the mechanical behavior of metals and alloys. This talk will discuss experimental results illustrating the role of interstitial content, grain size, texture, temperature, and strain rate on the operative deformation mechanisms, mechanical behavior, and substructure evolution in titanium, zirconium, hafnium, and rhenium. Increasing grain size is shown to significantly decrease the dynamic flow strength of Ti and Zr while increasing work-hardening rates due to an increased incidence of deformation twinning. Increasing oxygen interstitial content is shown to significantly alter both the constitutive response and α-ω shock-induced phase transition in Zr. The influence of crystallographic texture on the mechanical behavior in Ti, Zr, and Hf is discussed in terms of slip system and deformation twinning activity. An example of the utility of incorporation of operative deformation mechanisms into a polycrystalline plasticity constitutive model and validation using Taylor cylinder impact testing is presented.

Compact forced simple-shear sample for studying shear localization in materials

DOE PAGES

Gray, George Thompson; Vecchio, K. S.; Livescu, Veronica

2015-11-06

In this paper, a new specimen geometry, the compact forced-simple-shear specimen (CFSS), has been developed as a means to achieve simple shear testing of materials over a range of temperatures and strain rates. The stress and strain state in the gage section is designed to produce essentially “pure” simple shear, mode II in-plane shear, in a compact-sample geometry. The 2-D plane of shear can be directly aligned along specified directional aspects of a material's microstructure of interest; i.e., systematic shear loading parallel, at 45°, and orthogonal to anisotropic microstructural features in a material such as the pancake-shaped grains typical inmore » many rolled structural metals, or to specified directions in fiber-reinforced composites. Finally, the shear-stress shear-strain response and the damage evolution parallel and orthogonal to the pancake grain morphology in 7039-Al are shown to vary significantly as a function of orientation to the microstructure.« less

Fabrication and Sintering Behavior of Er:SrF₂ Transparent Ceramics using Chemically Derived Powder.

PubMed

Liu, Jun; Liu, Peng; Wang, Jun; Xu, Xiaodong; Li, Dongzhen; Zhang, Jian; Nie, Xinming

2018-03-22

In this paper, we report the fabrication of high-quality 5 at. % Er 3+ ions doped SrF₂ transparent ceramics, the potential candidate materials for a mid-infrared laser-gain medium by hot-pressing at 700 °C for 40 h using a chemically-derived powder. The phase structure, densification, and microstructure evolution of the Er:SrF₂ ceramics were systematically investigated. In addition, the grain growth kinetic mechanism of Er:SrF₂ was clarified. The results showed lattice diffusion to be the grain growth mechanism in the Er:SrF₂ transparent ceramic of which highest in-line transmittance reached 92% at 2000 nm, i.e., very close to the theoretical transmittance value of SrF₂ single crystal. Furthermore, the emission spectra showed that the strongest emission band was located at 2735 nm. This means that it is possible to achieve a laser output of approximately 2.7 μm in the 5 at. % Er 3+ ions doped SrF₂ transparent ceramics.

A hierarchical dislocation-grain boundary interaction model based on 3D discrete dislocation dynamics and molecular dynamics

NASA Astrophysics Data System (ADS)

Gao, Yuan; Zhuang, Zhuo; You, XiaoChuan

2011-04-01

We develop a new hierarchical dislocation-grain boundary (GB) interaction model to predict the mechanical behavior of polycrystalline metals at micro and submicro scales by coupling 3D Discrete Dislocation Dynamics (DDD) simulation with the Molecular Dynamics (MD) simulation. At the microscales, the DDD simulations are responsible for capturing the evolution of dislocation structures; at the nanoscales, the MD simulations are responsible for obtaining the GB energy and ISF energy which are then transferred hierarchically to the DDD level. In the present model, four kinds of dislocation-GB interactions, i.e. transmission, absorption, re-emission and reflection, are all considered. By this methodology, the compression of a Cu micro-sized bi-crystal pillar is studied. We investigate the characteristic mechanical behavior of the bi-crystal compared with that of the single-crystal. Moreover, the comparison between the present penetrable model of GB and the conventional impenetrable model also shows the accuracy and efficiency of the present model.

Modeling the Flow Behavior, Recrystallization, and Crystallographic Texture in Hot-Deformed Fe-30 Wt Pct Ni Austenite

NASA Astrophysics Data System (ADS)

Abbod, M. F.; Sellars, C. M.; Cizek, P.; Linkens, D. A.; Mahfouf, M.

2007-10-01

The present work describes a hybrid modeling approach developed for predicting the flow behavior, recrystallization characteristics, and crystallographic texture evolution in a Fe-30 wt pct Ni austenitic model alloy subjected to hot plane strain compression. A series of compression tests were performed at temperatures between 850 °C and 1050 °C and strain rates between 0.1 and 10 s-1. The evolution of grain structure, crystallographic texture, and dislocation substructure was characterized in detail for a deformation temperature of 950 °C and strain rates of 0.1 and 10 s-1, using electron backscatter diffraction and transmission electron microscopy. The hybrid modeling method utilizes a combination of empirical, physically-based, and neuro-fuzzy models. The flow stress is described as a function of the applied variables of strain rate and temperature using an empirical model. The recrystallization behavior is predicted from the measured microstructural state variables of internal dislocation density, subgrain size, and misorientation between subgrains using a physically-based model. The texture evolution is modeled using artificial neural networks.

Early tectonic evolution of the Thomson Orogen in Queensland inferred from constrained magnetic and gravity data

NASA Astrophysics Data System (ADS)

Spampinato, Giovanni P. T.; Betts, Peter G.; Ailleres, Laurent; Armit, Robin J.

2015-05-01

The crustal architecture as well as the kinematic evolution of the Thomson Orogen in Queensland is poorly resolved because the region is concealed under thick Phanerozoic sedimentary basins and the basement geology is known from limited drill holes. Combined potential field and seismic interpretation indicates that the Thomson Orogen is characterized by prominent regional NE- and NW-trending structural grain defined by long wavelength and low amplitude geophysical anomalies. The 'smooth' magnetic signature is interpreted to reflect deeply buried source bodies in the mid- to lower crust. Short wavelength positive magnetic features that correlate with negative gravity anomalies are interpreted to represent shallower granitic intrusions. They appear to be focused along major fault zones that might have controlled the locus for magmatism. The eastern Thomson Orogen is characterized by a prominent NE structural grain and orthogonal faults and fold interference patterns resulting in a series of troughs and highs. The western Thomson Orogen consists of a series of NW-trending structures interpreted to reflect reverse faults. Sedimentation and basin development are interpreted to have initiated in the Neoproterozoic to Early Cambrian during E-W- to ENE-WSW extension, possibly related to the Rodinia break-up. This extensional event was followed by Late Cambrian shortening recorded in the Maneroo Platform and the Diamantina River Domain which possibly correlates with the Delamerian Orogeny. Renewed deposition and volcanism occurred during the Ordovician and may have continued until Late Silurian, resulting in thinned Proterozoic basement crust and extensive basin systems that formed in a distal continental back-arc environment. Our interpretation places the Thomson Orogen to the west of the Neoproterozoic passive margin preserved in the Anakie Inlier. The region is likely to represent the internal extensional architecture during the Rodinia break-up that has been subsequently extensively modified by multiple extensional basin forming events and transient episodes of crustal shortening and basin inversion.

Cement hydration from hours to centuries controlled by diffusion through barrier shells of C-S-H

NASA Astrophysics Data System (ADS)

Rahimi-Aghdam, Saeed; Bažant, Zdeněk P.; Abdolhosseini Qomi, M. J.

2017-02-01

Although a few good models for cement hydration exist, they have some limitations. Some do not take into account the complete range of variation of pore relative humidity and temperature, and apply over durations limited from up a few months to up to about a year. The ones that are applicable for long durations are either computationally too intensive for use in finite element programs or predict the hydration to terminate after few months. However, recent tests of autogenous shrinkage and swelling in water imply that the hydration may continue, at decaying rate, for decades, provided that a not too low relative pore humidity (above 0.7) persists for a long time, as expected for the cores of thick concrete structural members. Therefore, and because design lifetimes of over hundred years are required for large concrete structures, a new hydration model for a hundred year lifespan and beyond is developed. The new model considers that, after the first day of hydration, the remnants of anhydrous cement grains, gradually consumed by hydration, are enveloped by contiguous, gradually thickening, spherical barrier shells of calcium-silicate hydrate (C-S-H). The hydration progress is controlled by transport of water from capillary pores through the barrier shells toward the interface with anhydrous cement. The transport is driven by a difference of humidity, defined by equivalence with the difference in chemical potential of water. Although, during the period of 4-24 h, the C-S-H forms discontinuous nano-globules around the cement grain, an equivalent barrier shell control was formulated for this period, too, for ease and effectiveness of calculation. The entire model is calibrated and validated by published test data on the evolution of hydration degree for various cement types, particle size distributions, water-cement ratios and temperatures. Computationally, this model is sufficiently effective for calculating the evolution of hydration degree (or aging) at every integration point of every finite element in a large structure.

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

Lee, Hak-Sung, E-mail: hslee@kims.re.kr; Park, Chanbum; Oh, Chang-Seok

Highlights: • We model the sample grain boundary of LiCoO2, one of important Li cathode materials. • Rigid body translation was found the asymmetric GB is more stable than symmetric GB. • The vacancy formation energy of Li and O was estimated with first principles calculations. • This model boundary can help to find a new dopant to improve Li diffusions. - Abstract: An atomic structure of LiCoO{sub 2} model grain boundary, Σ2 [1120](1102), is introduced and grain boundary energies with rigid body translations are investigated systematically to find the most stable interface structures. It is found that the coordinatedmore » structures of Co and O in the vicinity of grain boundary are strongly related to grain boundary energy. Examining nonstoichiometry at grain boundary, the defect energetics of Li and O site at grain boundary are estimated. In addition, the effect of grain boundary on Li diffusion is investigated to calculate Li diffusion across grain boundary.« less

Non-Destructive Evaluation of Grain Structure Using Air-Coupled Ultrasonics

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

Belvin, A. D.; Burrell, R. K.; Cole, E.G.

2009-08-01

Cast material has a grain structure that is relatively non-uniform. There is a desire to evaluate the grain structure of this material non-destructively. Traditionally, grain size measurement is a destructive process involving the sectioning and metallographic imaging of the material. Generally, this is performed on a representative sample on a periodic basis. Sampling is inefficient and costly. Furthermore, the resulting data may not provide an accurate description of the entire part's average grain size or grain size variation. This project is designed to develop a non-destructive acoustic scanning technique, using Chirp waveforms, to quantify average grain size and grain sizemore » variation across the surface of a cast material. A Chirp is a signal in which the frequency increases or decreases over time (frequency modulation). As a Chirp passes through a material, the material's grains reduce the signal (attenuation) by absorbing the signal energy. Geophysics research has shown a direct correlation with Chirp wave attenuation and mean grain size in geological structures. The goal of this project is to demonstrate that Chirp waveform attenuation can be used to measure grain size and grain variation in cast metals (uranium and other materials of interest). An off-axis ultrasonic inspection technique using air-coupled ultrasonics has been developed to determine grain size in cast materials. The technique gives a uniform response across the volume of the component. This technique has been demonstrated to provide generalized trends of grain variation over the samples investigated.« less

Synthesis and characterization of hollow mesoporous BaFe{sub 12}O{sub 19} spheres

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

Xu, Xia; Department of Chemical and Biological Engineering, The University of Alabama, Tuscaloosa, AL 35487; Park, Jihoon

2015-02-15

A facile method is reported to synthesize hollow mesoporous BaFe{sub 12}O{sub 19} spheres using a template-free chemical etching process. Hollow BaFe{sub 12}O{sub 19} spheres were synthesized by conventional spray pyrolysis. The mesoporous structure is achieved by alkaline ethylene glycol etching at 185 °C, with the porosity controlled by the heating time. The hollow porous structure is confirmed by SEM, TEM, and FIB-FESEM characterization. The crystal structure and magnetic properties are not significantly affected after the chemical etching process. The formation mechanism of the porous structure is explained by grain boundary etching. - Graphical abstract: Hollow spherical BaFe{sub 12}O{sub 19} particlesmore » are polycrystalline with both grains and grain boundaries. Grain boundaries have less ordered structure and lower stability. When the particles are exposed to high temperature alkaline ethylene glycol, the grain boundaries are etched, leaving small grooves between grains. These grooves allow ethylene glycol to diffuse inside to further etch the grains. As the grain size decreases, gaps appear on the particle surfaces, and a porous structure is finally formed. - Highlights: • Two-step synthesis method for hollow mesoporous BaFe{sub 12}O{sub 19} spheres is proposed. • Porosity of the product can be regulated by controlling the second step of chemical etching. • The crystal structure and magnetic properties are examined to be little affected during the chemical etching. • The mesoporous structure formation mechanism is explained by grain boundary etching.« less

Microstructural Evolution of Ti-6Al-4V during High Strain Rate Conditions of Metal Cutting

NASA Technical Reports Server (NTRS)

Dong, Lei; Schneider, Judy

2009-01-01

The microstructural evolution following metal cutting was investigated within the metal chips of Ti-6Al-4V. Metal cutting was used to impose a high strain rate on the order of approx.10(exp 5)/s within the primary shear zone as the metal was removed from the workpiece. The initial microstructure of the parent material (PM) was composed of a bi-modal microstructure with coarse prior grains and equiaxed primary located at the boundaries. After metal cutting, the microstructure of the metal chips showed coarsening of the equiaxed primary grains and lamellar. These metallographic findings suggest that the metal chips experienced high temperatures which remained below the transus temperature.