Superhard rhenium/tungsten diboride solid solutions
Rhenium diboride (ReB2), containing corrugated layers of covalently bonded boron, is a
superhard metallic compound with a microhardness reaching as high as 40.5 GPa (under …
superhard metallic compound with a microhardness reaching as high as 40.5 GPa (under …
Uncertainty of DFT Calculated Mechanical and Structural Properties of Solids due to Incompatibility of Pseudopotentials and Exchange–Correlation Functionals
M Maździarz - Journal of Chemical Theory and Computation, 2024 - ACS Publications
The demand for pseudopotentials constructed for a given exchange-correlation (XC)
functional far exceeds the supply, necessitating the use of those commonly available. The …
functional far exceeds the supply, necessitating the use of those commonly available. The …
First-principles study of multifunctional Mn 2 B 3 materials with high hardness and ferromagnetism
C Xu, K Bao, S Wang, G Wu, S Ma, L Li… - Physical Chemistry …, 2024 - pubs.rsc.org
Transition metal boride TM2B3 is widely studied in the field of physics and materials
science. However, Mn2B3 has not been found in Mn–B systems so far. Mn2B3 undergoes …
science. However, Mn2B3 has not been found in Mn–B systems so far. Mn2B3 undergoes …
New zirconium diboride polymorphs—First-principles calculations
M Maździarz, M Tomasz - Materials, 2020 - mdpi.com
Two new hypothetical zirconium diboride (ZrB 2) polymorphs:(hP6-P6 3/mmc-space group,
no. 194) and (oP6-Pmmn-space group, no. 59), were thoroughly studied under the first …
no. 194) and (oP6-Pmmn-space group, no. 59), were thoroughly studied under the first …
Effect of zirconium doping on the mechanical properties of on the basis of first-principles calculations and magnetron sputtered films
M Maździarz, R Psiuk, A Krawczyńska… - Archives of Civil and …, 2022 - Springer
Potentially superhard W 1-x Z rx B 2 polymorphs, hP6-P6 3/mmc-WB 2 and hP3-P6/mmm-
WB 2, were thoroughly analyzed with zirconium doping in the range of x= 0-25%, within the …
WB 2, were thoroughly analyzed with zirconium doping in the range of x= 0-25%, within the …
Structural, mechanical and optical properties of potentially superhard WBx polymorphs from first principles calculations
M Maździarz, T Mościcki - Materials Chemistry and Physics, 2016 - Elsevier
Five potentially superhard WB x polymorphs: hP10-P6 3/mmc-WB 4, hP16-P6 3/mmc-WB 3,
h R 24-R 3¯ m-WB 3, hP6-P6 3/mmc-WB 2 and oP6-Pmmn-WB 2 were thoroughly analyzed …
h R 24-R 3¯ m-WB 3, hP6-P6 3/mmc-WB 2 and oP6-Pmmn-WB 2 were thoroughly analyzed …
Properties of spark plasma sintered compacts and magnetron sputtered coatings made from Cr, Mo, Re and Zr alloyed tungsten diboride
T Mościcki, R Psiuk, J Radziejewska, M Wiśniewska… - Coatings, 2021 - mdpi.com
To enhance the properties of tungsten diboride, we have synthesized and characterized
solid solutions of this material with chromium, molybdenum, rhenium and zirconium. The …
solid solutions of this material with chromium, molybdenum, rhenium and zirconium. The …
First-principles study of new X-graphene and Y-graphene polymorphs generated by the two stage strategy
M Maździarz, A Mrozek, W Kuś, T Burczyński - Materials Chemistry and …, 2017 - Elsevier
Two potentially new, 2D-graphene-like materials have been generated by the two stage
searching strategy combining molecular and ab initio approach. The two candidates …
searching strategy combining molecular and ab initio approach. The two candidates …
Application of the plasma surface sintering conditions in the synthesis of ReBx–Ti targets employed for hard films deposition in magnetron sputtering technique
B Wicher, R Chodun, M Trzcinski, A Lachowski… - International Journal of …, 2022 - Elsevier
Preparation of a ternary ReB x–Ti compound within a single magnetron target, forming a
plasma surface sintering (PSS) conditions, were investigated. An ionized‑neon pressure of …
plasma surface sintering (PSS) conditions, were investigated. An ionized‑neon pressure of …
Ab initio study of elastic anisotropies and thermal conductivities of rhenium diborides in different crystal structures
YX Wang, YY Liu, ZX Yan, W Liu, JB Gu - RSC advances, 2020 - pubs.rsc.org
The phase stabilities, elastic anisotropies, and thermal conductivities of ReB2 diborides
under ambient conditions have been investigated by using density functional theory …
under ambient conditions have been investigated by using density functional theory …