Work

Multiphysics Modeling of Hot-Wall CVD Deposition of W–C–B Coatings for Process Optimization

Year: 2026

Type: article

Abstract: In this study, a multiphysics finite-element model was developed for the deposition of W–C–B coatings in a hot-wall tubular CVD reactor from a gas mixture of tungsten hexafluoride (WF6), hydrogen (H2), and trimethylamine borane ((CH3)3N:BH3) at 550 °C and 5 Torr. The aim of this work is to deepen the understanding of reactant transport mechanisms and to optimize the process parameters for obtaining targeted tungsten carbide or boride phases. The simulations were performed in COMSOL Multiphysics (ver. 6.1) using a 2D axisymmetric formulation that couples laminar flow, heat transfer, and multicomponent diffusion, accounting for heterogeneous chemical reactions at the reactor walls. The obtained spatial distributions of reactant concentrations demonstrate precursor depletion along the reactor length. A comparison of the calculated B/W and C/W stoichiometric ratios for 13 operating conditions with experimental data confirms a transition from W and W–B phases at low trimethylamine borane (TMAB) flow rates to tungsten carbide-based coatings at higher flow rates. Furthermore, a parametric sweep was utilized to determine the optimal parameter range for the synthesis of tungsten borides.

Source: Ceramics

DOI: 10.3390/ceramics9050047

Authors: Andrey V. Poligenko, Evgeny A. Ruban, Kirill M. Osipov, Andrey A. Shaporenkov, Vladimir V. Dushik

Institutions: National University of Science and Technology, Russian Academy of Sciences, Frumkin Institute of Physical Chemistry and Electrochemistry Russian Academy of Sciences

Language: English

Topic: Metal and Thin Film Mechanics

Subfield: Mechanics of Materials

Field: Engineering

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $1,930

Funder: Ministry of Science and Higher Education of the Russian Federation