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341
Influence of Block Geometry Configuration on Multi-Image Dense Matching
Published 2022-08-01Get full text
Article -
342
Peculiar opportunities given by XPS spectroscopy for the clinician
Published 2022-02-01Get full text
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343
Elucidating the Adsorption and Co-adsorption of Potassium and Oxygen on (110) MnO2, TiO2 and VO2 Surfaces
Published 2022-01-01Get full text
Article -
344
Network Design and Quality Checks in Automatic Orientation of Close-Range Photogrammetric Blocks
Published 2015-04-01Get full text
Article -
345
In Search of an Efficient Complexing Agent for Oxalates and Phosphates: A Quantum Chemical Study
Published 2021-07-01Get full text
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346
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347
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348
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349
Highly ordered lead-free double perovskite halides by design
Published 2020-12-01Get full text
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350
RMCProfile: reverse Monte Carlo for polycrystalline materials.
Published 2007“…Other new features including fitting data from magnetic materials, modelling lattice site disorder and new restraint and constraint options. …”
Conference item -
351
Crystalline–Amorphous Nanostructures: Microstructure, Property and Modelling
Published 2023-04-01“…The focus is put on synthesis of characteristic microstructures, deformation behaviors, and multiscale materials modelling.…”
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Article -
352
Evaluation of the insolation model from LiDAR-derived topographical surface models / Nurhafiza Md Saad
Published 2017“…Thus, the incoming solar radiation or also known as insolation is expected to somehow change in regard to the initial solar energy due to the differing surface types and materials. Modelling the pattern of insolation of the Sun's rays as it interacts with the Earth's atmosphere, surface, and its objects is thus vital for many applications including in the context of green building technology concept. …”
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Thesis -
353
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354
Solid state nuclear magnetic resonance studies of functional materials
Published 2022“…Comparing 93Nb MAS NMR with calculated NMR parameters generated from materials modelling structural realisations using the GIPAW DFT approach has allowed for the characterisation of three distinct Nb sites; Nb directly substituted into the SrTiO3 cubic lattice, a distorted Nb dimer about a Sr vacancy and disordered niobia nanodomains (> 5 mol% Nb) formed from significant Sr vacancy formation. 133Cs, 23Na and 39K solid state MAS NMR has been implemented to study the structure and mobility of direct band gap Pb-free double perovskite Cs2AgInxBi1−xCl6, Cs2NaxAg1−xInCl6:Bi and Cs2KxAg1−xInCl6:Bi nanocrystal systems. …”
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Thesis-Doctor of Philosophy -
355
Elucidation of the structural and optical properties of metal cation (Na⁺, K⁺, and Bi³⁺) incorporated Cs₂AgInCl₆ double perovskite nanocrystals
Published 2022“…The structural properties investigated using powder XRD, TEM, solid state NMR and materials modelling approaches demonstrate that the incorporation of K+ cations into the double perovskite nanocrystal structure occurs simultaneously on both the Cs (A) site and Ag (B′(I)) positions within a series of closely related cubic and monoclinic structures. …”
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Journal Article -
356
Synthetic pre-training for neural-network interatomic potentials
Published 2024-01-01“…Machine learning (ML) based interatomic potentials have transformed the field of atomistic materials modelling. However, ML potentials depend critically on the quality and quantity of quantum-mechanical reference data with which they are trained, and therefore developing datasets and training pipelines is becoming an increasingly central challenge. …”
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357
Modelling of Effective Thermal Conductivity of Composites Filled with Core-Shell Fillers
Published 2020-12-01“…The effective thermal conductivity of the core-shell filler grains is calculated using the Russel model for porous materials. Modelling results are compared with recent measurements made on composites filled with cellulose microbeads coated with hexagonal boron nitride (h-BN) platelets and good agreement is demonstrated. …”
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358
Opportunities given by density functional theory in pathological calcifications
Published 2021-06-01Get full text
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359
Modelling flow and mass transfer inside spacer-filled channels for reverse osmosis membrane modules
Published 2022Get full text
Book Chapter -
360
Distribution characteristics of abnormal formation pressures in the aquatic area of the Sakhalin shelf
Published 2023-02-01“…Data systematization and statistical generalization, partial borrowing of materials from field data, reference literature and published materials. Modelling of the AHPP (AHFP) formation process was performed using the PetroMod software (Schlumberger).Results. …”
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