Geometric Frustration of Icosahedron in Metallic Glasses

Hirata, Akihiko; Kang, Lijing; Fujita, Takeshi; Klumov, B. A.; Matsue, Kaname; Kotani, Masahiro; Yavari, A.R.; Chen, M. W.

doi:10.1126/science.1232450

Cited by 406 publications

(233 citation statements)

References 40 publications

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“…9 2 starts precipitating synchronously and a shell structure forms preferentially around the etching interface where the local concentration of OH − is the highest.…”

Section: Science China Materialsmentioning

confidence: 99%

“…Nevertheless, the less explored amorphous materials are, the more fascinating they are to researchers. Some important findings related to the internal structure of metallic glass, e.g., short-range order [2,3], medium-range order [4,5], polymorphism [6], and long-range topological order [7], have been reported recently. Effort has also been devoted to the study of local atomic environment [8,9] and lithium transport [10] in other kinds of amorphous materials.…”

Section: Introductionmentioning

confidence: 99%

“…Because of their complex internal structure, the growth of amorphous nanomaterial is usually ruleless, resulting in irregular particles using solution approaches or thin films using deposition techniques as their conventional shape. Over the last decade, inorganic amorphous nanomaterials with a variety of novel shapes, with notable examples including spheres, wires, tubes, fibers, cubes, octahedra, polyhedra, flower-like spheres and arrays, which are summarized in spheres (hollow) CaCO 3 gas-diffusion solution method [43] spheres CaCO 3 solution method [44] spheres CaCO 3 solution method [45] spheres CaCO 3 solution method [46] spheres CaCO 3 solution method [47] spheres Si thermal decomposition [48] spheres Si solution method [49] spheres Si/Ti solution method [50] spheres Si:H thermal decomposition [51] spheres Si:H thermal decomposition [52] spheres Se solution method [53] spheres TiO 2 solution method [54][55][56] spheres (hollow) PbO-TiO 2 sol-gel method [57] spheres Co-B alloy solution method [58] spheres 2 solution method [80] nanoboxes Ni(OH) 2 solution method [81] nanocubes (hollow) Co(OH) 2 solution method [82] nanopolyhedra (hollow) CoS solution method [83] mesopores nanocubes ZnSnO 3 solution method and annealing [84] REVIEWS SCIENCE CHINA Materials Table 1, have been synthesized. In this review, we explain how these exquisite nanostructures can be obtained by a number of innovative methods.…”

Section: Introductionmentioning

confidence: 99%

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Tailoring the shape of amorphous nanomaterials: recent developments and applications

2015

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Nanoscale amorphous materials are very important member of the non-crystalline solids family and have emerged as a new category of advanced materials. However, morphological control of amorphous nanomaterials is very difficult because of the atomic isotropy of their internal structures. In this review, we introduce some emerging innovative methods to fabricate well-defined, regular-shaped amorphous nanomaterials. We then highlight some examples to evaluate the use of these amorphous materials in electrodes, and their optical response. There is still plenty of room to explore the amorphous world. As researchers continue to advance the scientific tools that underpin the concepts related to "amorphous", additional applications of these materials will emerge. Their controlled synthesis will undoubtedly attain new heights in the discipline of nanomaterials, and allow nanoscale amorphous materials to become more sophisticated, diverse, and mainstream.

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“…9 2 starts precipitating synchronously and a shell structure forms preferentially around the etching interface where the local concentration of OH − is the highest.…”

Section: Science China Materialsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Tailoring the shape of amorphous nanomaterials: recent developments and applications

2015

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“…Although the concept of shear-dilatation correlation is widely accepted in the glass community, and various experiments and simulations have indicated STZ and cavitation as important deformation and fracture mechanisms of glassy alloys [33,35,31,18,17,34], there still lacks a direct microscopic evidence and no quantitative relationship established for such an intimate correlation. Whereas a direct observation and derivation of such a quantitative correlation [19] down to atomic-scale is usually an extreme challenging task in experiments [36].…”

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confidence: 99%

Direct atomic-scale evidence for shear–dilatation correlation in metallic glasses

et al. 2016

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Direct atomic-scale evidence is presented for the shear-dilatation correlation in metallic glasses via molecular dynamics and first-principles calculations. A quantitative parabolic relationship is established between the atomic local shear and hydrostatic volumetric strains by carrying out statistical analysis on a deformed glass model. The correction is further verified by density functional theory. Our atomistic demonstration of shear-dilatation correlation collaborates with the experimentally observed a few percent volume change in shear bands. It brings quantitative insights into the unique correlation between shear transformation and cavitation in metallic glasses.© 2015 Elsevier Ltd. All rights reserved.Metallic glasses (MGs) are a category of promising high strength structural materials with many other superior physical and chemical properties [1]. The deformation mechanisms of such amorphous solid state are in sharp contrast with their crystalline counterparts since there are no long-range atoms packing pattern in MGs [2,3]. No conventional mechanisms, such as ordinary dislocation plasticity or deformation twinning in crystals, exist in MGs which can carry plastic deformation. Therefore MGs usually suffer from the notorious catastrophic failure with a strong strain localization (shear banding) phenomenon [4,5].Several models have been proposed to rationalize the inelastic deformation of MGs, which include free volume [6], shear transformation zone (STZ) [7][8][9], cooperative shear model (CSM) [10,11], flow unit [12], vibrational soft spot [13], shear-diffusive transformation [14,15], and our recently proposed tensile transformation zone (TTZ) [16][17][18]. All of these models are based on the local structural rearrangement of atoms via the interplay of atomic-scale shear and dilation/contraction in MGs [19][20][21][22][23][24]. Among them, Argon's STZ model involves local rearrangement of a cluster of atoms undergoing a stress-driven, and thermally activated shear distortion [25,23,24]. Whereas Spaepen's free volume model is based on a dynamic equilibrium between the stress-assisted creation and annihilation of free volume [6]. The free volume behaviors can be regarded as dilation and contraction of local atomic environments. Since both models have been successfully adopted to describe the homogeneous and inhomogeneous flows in MGs, there should be some intrinsic correlation between shear and dilatation/compaction during deformation of glasses [21,26].Generally, shear-dilatation correlation is an intrinsic nature of deformation in amorphous alloys although local compaction is also allowed [27,28]. For example, intuitively derived law between shear strain and local dilatation has been used in constitutive modelings of MGs [29]. Shear is not necessarily the only deformation mode accommodating the local atomic rearrangement. The microscopic scenario is that the STZ operations redistribute stress spatially which usually leads to the creation of free volume via atomic-scale dilatation [21,1]. So that local ...

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“…One important example is the icosahedron with its fivefold symmetry [35], which has been recently found to be a fundamental geometrical motif in the structure of bulk metallic glasses [36]. To explore this point we have performed a microscopic structural analysis based on the local bond order invariants method [4,18,28] of our simulated pH 2 -oD 2 mixtures.…”

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confidence: 99%

Observation of crystallization slowdown in supercooled parahydrogen and orthodeuterium quantum liquid mixtures

et al. 2014

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We report a quantitative experimental study of the crystallization kinetics of supercooled quantum liquid mixtures of parahydrogen (pH 2 ) and orthodeuterium (oD 2 ) by high spatial resolution Raman spectroscopy of liquid microjets. We show that in a wide range of compositions the crystallization rate of the isotopic mixtures is significantly reduced with respect to that of the pure substances. To clarify this behavior we have performed path-integral simulations of the nonequilibrium pH 2 -oD 2 liquid mixtures, revealing that differences in quantum delocalization between the two isotopic species translate into different effective particle sizes. Our results provide experimental evidence for crystallization slowdown of quantum origin, offering a benchmark for theoretical studies of quantum behavior in supercooled liquids. Understanding the stability of supercooled liquids with respect to crystallization is a fundamental open problem in condensed matter physics [1]. In this regard, since crystallization competes with glass formation, a knowledge of the mechanisms that govern the crystal growth in supercooled liquids is considered an important step to elucidate the nature of the glass transition [2-6]. So far, experimental studies aiming at providing microscopic insights into the dynamics and crystallization of supercooled liquids have been largely based on the use of colloidal suspensions [7,8], where the large particle size allows one to follow the crystal growth on the laboratory time scale. However, diverse drawbacks such as polydispersity and sedimentation often make the experimental data from these systems difficult to interpret [8,9]. Accessing the details of the crystallization process in simple atomic and molecular counterparts, on the other hand, remains an experimental challenge due to relevant time scales that are orders of magnitude shorter.Theoretical studies have shown that the inclusion of quantum effects adds a further degree of complexity in the behavior of supercooled liquids, leading to novel exotic phenomena such as superfluidity [10,11] or enhanced dynamical slowing down [12][13][14]. Yet again, the difficulties in supercooling a quantum liquid to very low temperatures have so far precluded possible experimental studies of the interplay of quantum effects and structural transformations in nonequilibrium bulk liquids. Here we address these challenges reporting on the experimental investigation of the crystallization kinetics of supercooled liquid mixtures of the isotopic species pH 2 and oD 2 , showing that their quantum nature has a profound impact on the crystallization process.* grisenti@atom.uni-frankfurt.de Binary liquid mixtures exhibit, in general, properties that differ fundamentally from their corresponding pure substances, and mixing a few components is, in particular, a common strategy to hinder crystallization. Indeed, classical binary systems of particles that interact via a simple LennardJones (LJ) pair potential have been widely employed as the simplest theoretical models to inve...

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Geometric Frustration of Icosahedron in Metallic Glasses

Cited by 406 publications

References 40 publications

Tailoring the shape of amorphous nanomaterials: recent developments and applications

Tailoring the shape of amorphous nanomaterials: recent developments and applications

Direct atomic-scale evidence for shear–dilatation correlation in metallic glasses

Observation of crystallization slowdown in supercooled parahydrogen and orthodeuterium quantum liquid mixtures

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