Mechanical properties of nonstoichiometric cubic titanium carbide TiCy

Literature Information

Publication Date 2021-08-16
DOI 10.1039/D1CP02697F
Impact Factor 3.676
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Abstract

The changes of elastic constants cij in the homogeneity interval from TiC0.50 to TiC1.00 of nonstoichiometric disordered cubic titanium carbide are evaluated by a semiempirical method for the first time. It is established that the elastic stiffness constants cij of a disordered TiCy decrease as the titanium carbide composition deviates from stoichiometry. The distributions of the Young's modulus E, the Poisson's ratio μ, shear G and bulk B moduli of monocrystalline particles of cubic TiCy on the crystallographic direction [hkl] and on relative carbon content y are calculated. The lowest values of Ghkl for TiCy are observed in the (111) plane. It is found that the deviation of titanium carbide from stoichiometric composition TiC1.0 is accompanied by increase of the elastic anisotropy. It is shown that the calculated Vickers hardness HV of titanium carbide on the relative carbon content y increases non-linearly with growing y.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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