Structure and properties of two superionic ice phases ...

2021-10-14 · Below 20 GPa, ice VII is the only crystalline phase above room temperature and it melts at the lowest reachable/detectable temperatures, ... (bulk) 66, SiO 2 (ref. 67) ...

Nanostructured polymer films with metal-like thermal ...

2019-4-16 · Further improvement of lattice thermal conductivity from bulk crystalline to 1-D-chain polyethylene: a high-yet-finite thermal conductivity using first-principles calculation. https://arxiv ...

X-ray Powder Diffraction (XRD)

2020-2-14 · X-ray powder diffraction (XRD) is a rapid analytical technique primarily used for phase identification of a crystalline material and can provide information on unit cell dimensions. The analyzed material is finely ground, homogenized, and …

Deformation-induced crystalline-to-amorphous phase ...

The Cantor high-entropy alloy (HEA) of CrMnFeCoNi is a solid solution with a face-centered cubic structure. While plastic deformation in this alloy is usually dominated by dislocation slip and deformation twinning, our in situ straining transmission electron microscopy (TEM) experiments reveal a crystalline-to-amorphous phase transformation in an ultrafine-grained Cantor alloy.

Crystallization

Crystallization is the physical transformation (phase transition) of a liquid, solution, or gas to a crystal, which is a solid with an ordered internal arrangement of molecules, ions, or atoms. Many substances of scientific, technological, and commercial importance are crystalline, ranging from large-tonnage commodity materials to high-value ...

mp-12957: O2 (monoclinic, C2/m, 12)

The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) Decomposes To Stable Band Gap 1.369 eV In general, band gaps computed with common exchange-correlation functionals such as the LDA and GGA are severely underestimated. Typically the disagreement is reported to be ...

Chapter 7: Basics of X-ray Diffraction

2008-10-9 · When X -rays interact with a crystalline substance (Phase), one gets a diffraction pattern. In 1919 A.W.Hull gave a paper titled, "A New Method of Chemical Analysis". Here he pointed out tha t "….every crystalline substance gives a pattern; the same substance always gives the same pattern; and in a

A reversible oxygen redox reaction in bulk-type all-solid ...

The observed Debye rings in the ED pattern likewise support that the crystalline phase is assigned to the disordered rocksalt phase, as shown in fig. S2. It is noteworthy that the synthesized material is not just a mixture of Li 2 RuO 3 crystal and Li 2 SO 4 amorphous matrix—the nanocomposite material consists of the nanosized disordered ...

Microphase Separation

The system crystallizes into a pure crystalline ester microphase and a mixed non-crystalline phase. It was shown that SAXS results were consistent with a lamellar model comprising a crystalline core of thickness 3.5–4.5 nm, a diffuse boundary zone of width 0.9 nm, and a non-crystalline layer.

Symbiotic crystal-glass alloys via dynamic chemical ...

2021-11-10 · We conducted in-situ tension experiments in an aberration-corrected TEM to reveal the deformation behavior of the crystal-glass symbiotic alloy (as-deposited sample) at ambient temperature ().During tension, a crack is generated from the pre-notch of the TEM lamella and its propagation stops in front of an amorphous phase (Fig. 3b and c).The thickness of the …

On the structural stability of crystalline ceria phases in ...

2018-12-3 · Despite a recent report on the existence of bulk and surface CeH x phases during reductive treatment of pure CeO 2 in H 2, structural analysis by Rietveld refinement as well as additional 1 H-NMR spectroscopy did not reveal …

Phys. Rev. B 103, 024205 (2021)

2021-1-28 · When translational symmetry is broken by bulk disorder, the topological nature of states in topological crystalline systems may change depending on the type of disorder that is applied. In this work, we characterize the phases of a one-dimensional chain with inversion and chiral symmetries, where every disorder configuration is inversion symmetric.

Phys. Rev. Lett. 126, 215701 (2021)

2021-5-25 · We report the synthesis of bulk, highly oriented, crystalline 4 H hexagonal silicon (4 H − Si), through a metastable phase transformation upon heating the single-crystalline Si 24 allotrope. Remarkably, the resulting 4 H − Si crystallites exhibit an orientation relationship with the Si 24 crystals, indicating a structural relationship between the two phases.

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Structural evolution of amorphous calcium sulfate ...

2020-9-10 · The involvement of amorphous calcium sulfate (ACS) as a precursor to calcium sulfate crystallization remains an important but poorly understood phenomenon, especially the mechanism by which ACS evolves into crystalline phase. Here, we captured the ACS nanoparticles as a precursor to calcium sulfate crystalli

Phys. Rev. Materials 5, 094802 (2021)

2021-9-30 · The discovery of the 1144 phase, e.g., CaKFe 4 As 4, creates opportunities to build novel intermetallics with alternative stacking of two parent compounds.Here we formalize the idea by defining a class of bulk crystalline solids with A − B stacking (including 1144 phases and beyond), which is a generalization of heterostructures from few-layer or thin-film …

mp-1196316: Cr7C3 (hexagonal, P6_3mc, 186)

Cr7C3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are eight inequivalent Cr sites. In the first Cr site, Cr is bonded in a 3-coordinate geometry to three equivalent C atoms. All Cr–C bond lengths are 2.06 Å. In the second Cr site, Cr is bonded in a distorted bent 150 degrees geometry to two C atoms.

How the in situ monitoring of bulk crystalline phases ...

The present Highlight article shows the importance of the in situ monitoring of bulk crystalline compounds for a more thorough understanding of heterogeneous catalysts at the intersection of catalysis, materials science, crystallography and inorganic chemistry. Although catalytic action is widely regarded as 2021 Highlight article collection Nanomaterials

Accelerated active phase transformation of NiO powered …

Here, we report for the first time that single-atom Pt incorporated into the bulk crystalline phase of porous NiO nanocubes (0.5 wt% Pt/NiO) can greatly promote the active phase (NiOOH) evolution. The Pt doping was achieved by a scalable nanocasting approach using …

Drude Theory of Metals

2020-3-5 · •often only one phase occurs (homogeneous solutions) solid state •crystalline phases: e.g., ZnO and SiO 2 = two phases •polymorphs: e.g., wurtzite and sphalerite ZnS are different phases •solid solutions = one phase (e.g., Al 2 O 3-Cr 2 O 3 solutions) A difference in either physical or chemical properties constitutes a phase

Phase-Change Memory (PCM)

2020-8-19 · The fundamental mechanism for Phase-Change Memory was invented in the 1960s by Stanford Robert Ovshinsky. ST holds a license to the patents that resulted from that original development and has built onto that ground-breaking work for more than 15 years, developing the embedded PCM solution (ePCM) that is today integrated into our 28nm FD-SOI technology …

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First-principles study of Zr-N crystalline phases: phase stability, electronic and mechanical properties, RSC Advances, 7, 4697 (2017) 20) X. B. Hu, Y. L. Zhu, X. H. Shao, H. Y. Niu, et al., Atomic configurations of various kinds of structural intergrowth in the polytypic M2B-type boride precipitated in the Ni-based superalloy, Acta Materialia, 100, 64 (201 5 )

Review of the anatase to rutile phase transformation ...

2010-12-8 · Phase formation during synthesis of TiO 2. In the synthesis of TiO 2 films by various methods, the initial crystalline TiO 2 phase formed is generally anatase [82, 83] om a structural perspective, this could be due to the greater …

Quantum dot–induced phase stabilization of α-CsPbI3 ...

2016-10-7 · We show nanoscale phase stabilization of CsPbI 3 quantum dots (QDs) to low temperatures that can be used as the active component of efficient optoelectronic devices. CsPbI 3 is an all-inorganic analog to the hybrid organic cation halide perovskites, but the cubic phase of bulk CsPbI 3 (α-CsPbI 3)—the variant with desirable band gap—is only stable at high …

Metastable 1T′-phase group VIB transition metal ...

2021-4-15 · Metastable 1T′-phase transition metal dichalcogenides (1T′-TMDs) with semi-metallic natures have attracted increasing interest owing to their …

Uncovering β-relaxations in amorphous phase-change …

Then, the powders were scraped off. The bulk amorphous GeSe 2 and Ge 15 Te 85 were prepared using water quenching from the melt. The bulk GeSe 2 glass was then milled into powder form. In addition, amorphous phase was checked by x-ray diffraction (Panalytical X''Pert Pro diffractometer) and DSC (Metello DSC2).

Phys. Rev. Lett. 99, 215502 (2007)

2007-11-20 · Ti K edge XANES spectra of crystalline, amorphous and quasiamorphous SrTiO 3. The data for amorphous, crystalline phase of BaTiO 3 (Ref. ) and bulk EuTiO 3 are given for comparison. Inset shows the peak A (1 s − 3 d region), with average magnitudes of the Ti atom displacement.Reuse & Permissions

First-principles calculations for topological quantum ...

2021-3-23 · Discoveries of topological states and topological materials have reshaped our understanding of physics and materials over the past 15 years. First-principles calculations have had an important ...

Crystals | An Open Access Journal from MDPI

Crystals is a peer-reviewed, open access journal, published monthly online by MDPI, that covers all aspects of Crystallography.. Open Access — free for readers, with article processing charges () paid by authors or their institutions.; High Visibility: indexed within Scopus, SCIE (Web of Science), Inspec, CAPlus / SciFinder, and many other databases.

Percolation transitions in compressed SiO2 glasses | Nature

2021-11-3 · In the crystalline phase at ambient pressure, ... are similar to the characteristic pressures corresponding to the minimum of the bulk modulus and …

Phys. Rev. Lett. 122, 198002 (2019)

2019-5-15 · Colloidal Janus spheres in the bulk typically spontaneously assemble into plastic crystalline phases, while particle orientations exhibit glasslike dynamics without long-range order. Through Brownian dynamics simulations, we demonstrate that shear can trigger a phase transition from an isotropic crystal with orientational disorder to an orientationally ordered …

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