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Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe

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npj Computational Materials 2022年第1期8卷 107-112页

作者： ivan novikov Blazej Grabowski Fritz Körmann Alexander shapeev skolkovo Institute of science and Technology Skolkovo Innovation CenterNobel St.3Moscow143026Russia Institute for Materials science University of StuttgartPfaffenwaldring 5570569StuttgartGermany Computational Materials Design Max-Planck-Institut für Eisenforschung GmbHD-40237DüsseldorfGermany Materials science and Engineering Delft University of Technology2628 CDDelftThe Netherlands

We present the magnetic Moment Tensor Potentials(mMTPs),a class of machine-learning interatomic potentials,accurately reproducing both vibrational and magnetic degrees of freedom as provided,e.g.,from first-principles *** accuracy is achieved by a two-step minimization scheme that coarse-grains the atomic and the spin *** performance of the mMTPs is demonstrated for the prototype magnetic system bcc iron,with applications to phonon calculations for different magnetic states,and molecular-dynamics simulations with fluctuating magnetic moments.

关键词： magnetic fluctuating states

A theoretical justification of the slip index concept in fretting analysis

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Friction 2023年第7期11卷 1265-1275页

作者： ivan I.ARGATOV Young s.CHAI Institut für Mechanik Technische Universität Berlin10623 BerlinGermany school of Mechanical Engineering Yeungnam UniversityGyeongsan 712-749Republic of Korea

Fretting in the partial-slip and gross-slip regimes under a constant normal load is *** tangential force-displacement relations for the forward and backward motions are described based the generalized Cattaneo-Mindlin theory of tangential contact and Masing's hypothesis on modelling the force-displacement hysteretic *** the critical force and displacement parameters(characterizing the triggering of sliding),the model includes one dimensionless fitting parameter that tunes the tangential contact stiffness of the friction-contact *** expressions are derived for the main tribological parameters of the fretting loop,including the slip index and the signal *** presented phenomenological modelling approach has been applied to the analysis of two sets of experimental data taken from the *** has been shown that the experimentally observed simple relation of a rational type between the slip index and the slip ratio corresponds to the gross-slip asymptotics of the corresponding model-based predicted *** known quantitative criteria for the transition from the partial slip regime to the gross slip regime are expressed in terms of the stiffness parameter,and a novel geometric transition criterion is formulated.

关键词： fretting wear slip index signal index partial slip energy ratio

Entanglement swapping in the Presence of White and Color Noise

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Communications in Theoretical Physics 2018年第2期69卷 143-153页

作者： ivan s. Dotsenko R. Korobka Taras shevchenko National University of Kyiv Kyiv Ukrain

The influence of white and color noise on the outcome of the entanglement swapping process is investigated in a four-qubit system. Critical degree of noise in initial state, that could destroy entanglement in a result state is presented. The entanglement characteristics, such as concurrence, tangle, etc. are compared. Results could be helpful for experiments regarding entanglement swapping as conditions for initial quantum entangled states, to obtain entangled result state.

关键词： entanglement entanglement swapping white noise entanglement

Engineering of immunoinstructive extracellular matrices for enhanced osteoinductivity

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Bioactive Materials 2023年第6期24卷 174-184页

作者： Andrés García-García sébastien Pigeot ivan Martin Department of Biomedicine University Hospital BaselUniversity of Basel4031BaselSwitzerland Department of Biomedical Engineering University of Basel4123AllschwillSwitzerland

The increasing recognition of the contribution of the immune system to activate and prime regeneration implies that tissue engineering strategies and biomaterials design should target regulation of early immunological *** previously proposed the cell-based engineering and devitalization of extracellular matrices(ECMs)as a strategy to generate implant materials delivering custom-defined ***,in the context of bone regeneration,we aimed at enhancing the osteoinductivity of such ECMs by enriching their immunomodulatory factors *** with IL1βa cell line overexpressing BMP-2 enabled engineering of ECMs preserving osteoinductive signals and containing larger amounts of angiogenic(VEGF)and pro-inflammatory molecules(IL6,IL8 and MCP1).Upon implantation,these IL1β-induced materials enhanced processes typical of the inflammatory phase(e.g.,vascular invasion,osteoclast recruitment and differentiation),leading to‘regenerative’events(e.g.,M2 macrophage polarization)and ultimately resulting in faster and more efficient bone *** results bear relevance towards the manufacturing of potent off-the-shelf osteoinductive materials and outline the broader paradigm of engineering immunoinstructive implants to enhance tissue regeneration.

关键词： Immunomodulation Bone tissue engineering Inflammation Hypertrophic cartilage matrices Osteoinduction

Approximation of thermoelasticity contact problem with nonmonotone friction

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Applied Mathematics and Mechanics(English Edition) 2010年第1期31卷 77-86页

作者： ivan EsTAK Boko s. JOVANOVI Faculty of Mine and Geology University of Belgrade Faculty of Mathematics University of Belgrade

The paper presents the formulation and approximation of a static thermoelasticity problem that describes bilateral frictional contact between a deformable body and a rigid foundation. The friction is in the form of a nonmonotone and multivalued law. The coupling effect of the problem is neglected. Therefore, the thermic part of the problem is considered independently on the elasticity problem. For the displacement vector, we formulate one substationary problem for a non-convex, locally Lipschitz continuous functional representing the total potential energy of the body. All problems formulated in the paper are approximated with the finite element method.

关键词： static thermoelastic contact nonmonotone multivalued friction hemivari-ational inequality substationary problem finite element approximation

Influence of tributaries on downstream bed sediment grain sizes under flysch conditions

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Journal of Mountain science 2021年第4期18卷 847-862页

作者： sMAZAK ivan GALLA Tomas Department of Physical Geography and Geoecology Faculty of ScienceUniversity of OstravaChittussiho 1071000 OstravaCzech Republic

Tributaries are one of the most important factors contributing to variability in the downstream evolution of bed sediment grain *** primary aim of this work is to evaluate the response of the bed sediment texture in the recipient channel induced by ten tributaries of the?ernáOstravice stream and find reach-scale and catchment-scale parameters that would be able to predict this *** research was based on collecting information on the grain size distributions at sites adjacent to confluence zones.A significant change in sediment texture occurred in the vicinity of five *** the other factors contributing to grain size variability(e.g.,local channel geometry,lithology,and lateral sediment sources),it was assumed that only four of them were associated with a sufficient bedload influx to alter the sediment calibre below the ***,a significant morphological effect in the form of a large confluence bar was observed in one *** tributaries had several common features:(i)they had a larger relative catchment area than that of nonsignificant tributaries;(ii)they were characterized by different bed grain sizes,with some exceptions;and(iii)they had a higher unit stream power close to the confluence in relation to that of the *** characteristics were represented by the proposed relative parameters,including the relative unit stream power and bed material texture,which allowed the best classification of significant and nonsignificant *** their simplified form,the parameters described the transport capacity and grain size distribution,which were generally considered to be primary factors responsible for a redefinition of the sediment texture in the recipient ***,it should be noted that these results are subject to some degree of uncertainty due to the relatively small sample size of only 10 tributaries.

关键词： Tributary Bed sediments Headwater streams Flysch Carpathians

Geothermal Model of the Fore-Yenisey sedimentary Basin——Transitional structure between the Ancient siberian Platform and the Young West siberian Plate

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Acta Geologica sinica(English Edition) 2022年第2期96卷 582-590页

作者： Dmitriy novikov Fedor DULTsEV Yuriy FILIPPOV Trofimuk Institute of Petroleum Geology and Geophysics SB RASNovosibirsk 630090Russia Novosibirsk state University Novosibirsk 630090Russia

Results of the investigation into the geothermal regime of the Fore-Yenisey sedimentary basin, formed during the collision and subsidence of the Kas-Turukhan microcontinent and the western margin of the siberian craton in the late Neoproterozoic and early Paleozoic are reported. It was established that the structural and geothermal conditions of the upper Precambrian–Paleozoic sections are similar to those in the western regions of the siberian platform and are characterized by rather low geothermal gradients(12.5–25.5 ℃/km). In the western parts of the basin, formation temperatures in the uppermost pre-Jurassic sediments are 50℃–85℃, decreasing eastward to 30℃–55℃. For the first time, the detailed geothermal model of the basin sedimentary fill was developed. This model allows predictions of the geothermal conditions of Earth’s interior.

关键词： geothermal model formation temperature Fore-Yenisey sedimentary basin West siberia

Device performance and light characteristics stability of quantum-dot-based white-light-emitting diodes

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Nano Research 2018年第3期11卷 1575-1588页

作者： Bruno Clasen Hames ivan Mora-sero Rafael s. sanchez Institute of Advanced Materials (INAM) Universitat Jaume 1 12071 Castello Spain

Advances in image quality in recent decades have made it necessary to develop new technologies for producing displays to meet remarkably stricter standards. The display market is governed mainly by liquid crystal display and light-emitting diode （LED） technology; however, it suffers from limitations that can be overcome by developing the next generation of electroluminescent displays. The introduction of colloidal quantum dots （QDs） as down-converters has enabled the production of displays with extremely high color purity and gamut. Therefore, colloidal nanocrystals are excellent candidates for the preparation of electroluminescent devices, which represent a straightforward approach to the development of unprecedented high-quality displays. We synthesized light-emitting QDs covering the entire visible spectrum with high fluorescence quantum yields and color purity, and produced high-brightness single-color LEDs with external quantum efficiencies of 0.39%, 1.04%, 2.10%, and 1.30% for red-, orange-, green-, and blue-emitting dots, respectively. Additional136 white LEDs were prepared by mixing QDs; they showed color temperatures of 5,300 K and color rendering indices exceeding 80%. Very importantly, we exhaustively characterized the LED performance, including the response time, stability, and evolution of the light characteristics, thus providing crucial information toward the development of high-quality electroluminescent displays.

关键词： colloidal quantum dots quantum dotlight-emitting diodes white light-emitting diode(LED) displays electroluminescence LED stability

Application of thermally stimulated acoustic emission method to assess the thermal resistance and related properties of coals

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International Journal of Mining science and Technology 2018年第2期28卷 243-249页

作者： E.A.novikov R.O.Oshkin V.L.shkuratnik s.A.Epshtein N.N.Dobryakova National University of science and Technology(MIsis) Moscow 119049Russia

Traditional methods of coal thermal resistance characterization are informative but considerably timeconsuming and require utilization of a complex and expensive equipment. This limits the effectiveness of their application. In this paper, authors experimentally investigated potential application of thermally stimulated acoustic emission method for developing of relatively simple and rapid coals thermal resistance assessment method. Features of thermally stimulated acoustic emission of anthracite, lignites and bituminous coal samples subject to cyclic thermal loading have been experimentally *** the first time, it has been shown that there exists a relationship of such patterns with structural parameters and properties of the coal samples, as well as their thermal resistance. The results indicate the possibility of applying the method of thermally stimulated acoustic emission to control processes of cryogenic disintegration and thermal resistance of fossil coals. The description of the equipment and methodological support needed for the implementation of this method have been provided.

关键词： Acoustic emission Fossil coal Thermal resistance Cryogenic disintegration structure Properties