Search results for "Interstitial"

First-principles calculations of iodine-related point defects in CsPbI3

2019

Many thanks to A. Lushchik, A. Popov and R. Merkle for numerous fruitful discussions. This study was partly supported by the Latvian Council for Science (grant LZP-2018/1-0147 to EK). R.A.E acknowledges the assistance of the University Computer Center of Saint-Petersburg State University for high-performance computations.

First-principles calculations of the initial incorporation of carbon into flat and stepped Pd surfaces

2010

We employ density-functional-theory calculations to examine carbon adsorption and diffusion in Pd bulk, and on Pd(111) and Pd(211) surfaces. Different possible subsurface and on-surface structures are explored and the most stable structures are analyzed. We calculate various diffusion paths: lateral diffusion on a surface, migration to a subsurface region, and within the first interlayer. Our calculations show in accordance with the earlier theoretical results that on Pd(111) carbon prefers to adsorb on octahedral interstitial sites. On Pd(211) the fourfold hollow site under the step is energetically the most favorable one and the second best sites are the octahedral sites. The calculations…

First-Principles Simulations of Interstitial Atoms in Ionic Solids

1995

The atomic and electronic structure of the radiation-induced interstitial atoms in MgO and KCl crystals representing two broad classes of ionic solids are calculated and compared. The first-principles full potential LMTO method is applied to a 16-atom supercell. For both crystals the energetically most favourable configuration is a dumbbell centered at a regular anion site. Its (110) and (111) orientations are very close in energy which permits the dumbbell to rotate easily on a lattice site. The mechanism and the relevant activation energy for thermally activated diffusion hops from the dumbbell equilibrium position to the cube face and cube center are discussed in the light of the availab…

The combined influence of grain size distribution and dislocation density on hardness of interstitial free steel

2020

Abstract Understanding the relationship between microstructure features and mechanical properties is of great significance for the improvement and specific adjustment of steel properties. The relationship between mean grain size and yield strength is established by the well-known Hall-Petch equation. But due to the complexity of the grain configuration within materials, considering only the mean value is unlikely to give a complete representation of the mechanical behavior. The classical Taylor equation is often used to account for the effect of dislocation density, but not thoroughly tested in combination with grain size influence. In the present study, systematic heat treatment routes and…

Freeze-dried precursor-based synthesis of new polymetallic oxynitrides, V1−u−zCruMoz(OxNy),V1−u−zCruWz(OxNy), Cr1−u−zMouWz(OxNy) (u, z=0.2, 0.33, 0.4…

2005

Abstract Interstitial polymetallic oxynitrides in the solid solution series V 1− u − z Cr u Mo z (O x N y ), V 1− u − z Cr u W z (O x N y ) and Cr 1− u − z Mo u W z (O x N y ) ( u , z  = 0.2, 0.33, 0.4, 0.6, u  +  z z Cr z Mo z W z (O x N y ) ( z  = 0.25) composition, can be obtained by ammonolysis of precursors resulting from the freeze-drying of aqueous solutions of the simple metal salts NH 4 VO 3 , (NH 4 ) 2 CrO 4 , (NH 4 ) 6 Mo 7 O 24 ·4H 2 O and (NH 4 ) 6 W 12 O 39 ·18H 2 O. A study of the influence of the preparative variables on the outcomes of this procedure is presented. Compounds in the V 1− u − z Cr u Mo z (O x N y ) series have been prepared as single phases by direct ammonolys…

Freeze-fracture features of epithelioid cells, multinucleated giant cells, and phagocytic macrophages

1987

The freeze-fracture morphology of epithelioid cells, multinucleated giant cells (Langhans' type), and phagocytic macrophages was investigated. The intensely folded and interdigitating surface membranes of epithelioid cells and multinucleated giant cells displayed no specialized areas of cell contact. The size of the intramembranous particles (IMP) and the fact that the area density of IMPs was higher in the cytoplasmic (P) faces than in the external (E) faces of the cell membranes agreed with observations in other eukaryotic cells. The area densities of the IMPs suggest lower transport rates of molecules across the cell membranes of granuloma cells than of certain epithelial cells. Small pi…

Ab initio simulations on charged interstitial oxygen migration in corundum

2018

We have performed this work within the framework of the EUROfusion Consortium receiving funding from the European grant agreement 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Authors thank R. Vila, A.I. Popov, A. Luchshik and R.A. Evarestov for fruitful discussions. To carry out large-scale calculations, we have used the HPC supercomputer at Stuttgart University (Germany)

Efficacy of rituximab as a single-agent therapy for the treatment of granulomatous and lymphocytic interstitial lung disease in patients with common …

2019

Physical forces in blister formation. The role of colloid osmotic pressure and of total osmolality in fluid migration into the rising blister.

1978

The physical forces operative in the fluid migration from the interstitial spaces into the blister cleft have not been directly measured until now. The colloid osmotic pressure and the total osmolality were determined in suction blister fluid after mild suction blister production by a modified “Dermovac” and in blister fluid of patients with dermatitis herpetiformis, bullous allergic contact dermatitis and pemphigus vulgaris and in the sera of healthy persons. The colloid osmotic pressure was measured by means of a recently developed osmometer with a semipermeable membrane between 2 chambers, one of them filled with Ringer solution, the other with the blister fluid or serum sample. The nega…

Interstitial pregnancy in a patient with ipsilateral adnexal absence: Case report and literature review

2013

Unilateral ovarian absence (UOA) with fallopian tube absence is a rare condition. The true incidence is unknown. Here, we report a case of a woman with left tubal and ovarian absence, undergoing laparoscopy for an ipsilateral interstitial pregnancy (IP). The gestational mass was excided using the purse string technique to achieve better haemostasis. Probable etiologies are discussed and literature reviewed. According to our analysis the reproductive outcome of women affected by this rare anomaly is not compromised. Its impairment should be related to comorbidities or other unexplained causes. © Copyright 2014, CIC Edizioni Internazionali, Roma.