A Thermo‐Chemo‐Mechanical Model for the Oxidation of Zirconium Diboride

Zhou, Ziyuan; Peng, Xianghe; Wei, Zhen

doi:10.1111/jace.13333

Cited by 25 publications

(4 citation statements)

References 58 publications

(135 reference statements)

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“…The formation of t-ZrO 2 (instead of monoclinic ZrO 2 ) is consistent with other reports of preferential growth of the tetragonal phase due to confinement during oxidation of nanolaminate films,[14, 25,26] and may be induced by compressive stresses during oxidation of ZrB 2 . [27] Three trends emerge from the data in Fig. 2a.…”

Section: Resultsmentioning

confidence: 91%

Nanostructure and bonding of zirconium diboride thin films studied by X-ray spectroscopy

Stewart

Meulenberg

2015

Thin Solid Films

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Zirconium diboride (ZrB 2 ) is an important ceramic due to its extremely high melting temperature of 3245 • C and metallic electrical conductivity, properties that make it an ideal candidate thin film electrode material for high temperature electronics. In this report, thin films of varying B:Zr ratio ranging from 3-0.67 have been grown by e-beam evaporation from elemental sources. X-ray absorption spectra at the Zr K-edge were measured before and after annealing in ultra-high vacuum for 9 hours at 1000 • C. Films with compositions near ZrB 2 stoichiometry show x-ray absorption fine structure that can be well modeled by crystalline ZrB 2 with a small portion of a coexisting tetragonal zirconia (t-ZrO 2 ) phase. Films far from stoichiometry show substantial disorder beyond the nearest-neighbor distances, and after vacuum annealing exhibit high levels of oxidation. Contributions to the x-ray absorption fine structure from a pure Zr phase are very small compared to ZrB 2 and t-ZrO 2 phases. The fact that nearly stoichiometric (3 < B : Zr < 1.6) as-deposited amorphous films form the same crystalline ZrB 2 nanostructure after annealing is particularly encouraging for high temperature thin film electronics applications, because it would allow the production of highly stable electrodes with e-beam evaporation without the need of any high temperature heating during film growth.

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Section: Resultsmentioning

confidence: 91%

Nanostructure and bonding of zirconium diboride thin films studied by X-ray spectroscopy

Stewart

Meulenberg

2015

Thin Solid Films

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“…Because the heating time would have been very short, most gaseous oxides would have diffused into air, and a little B 2 O 3 would have dissolved in the liquid SiO 2 and remained on the specimen surface. During cooling, this mixture would have solidified to form an amorphous glassy layer on the specimen surface that would have reduced the diffusion of oxygen into the specimen and would have provided effective protection against oxidation until it reached a temperature of 1800 • C. However, with the further increase of thermal shock cycles, the oxidation time would have increased, and the amorphous glassy layer would have tended to completely evaporate, resulting in a porous ZrO 2 surface layer [47,48]. specimens that were tested in the Ar atmosphere, as shown in Figure 8, there was no distinct glassy layer or oxide layer; there was mainly a substrate that was covered by a thin surface layer, and the boundary between them could be found.…”

Section: Surface Analysismentioning

confidence: 99%

“…During cooling, this mixture would have solidified to form an amorphous glassy layer on the specimen surface that would have reduced the diffusion of oxygen into the specimen and would have provided effective protection against oxidation until it reached a temperature of 1800 °C. However, with the further increase of thermal shock cycles, the oxidation time would have increased, and the amorphous glassy layer would have tended to completely evaporate, resulting in a porous ZrO2 surface layer [47,48]. The oxidation product, ZrO2, would have formed the skeleton in the oxide layer.…”

Section: Surface Analysismentioning

confidence: 99%

Repeated Thermal Shock Behavior of ZrB2–SiC–Graphite Composite under Pre-Stress in Air and Ar Atmospheres

et al. 2020

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The thermo–chemo–mechanical coupling on the thermal shock resistance of 20 vol%-ZrB2–15 vol%-SiC–graphite composite is investigated with the use of a self-developed material testing system. In each test, a specimen under prescribed constant tensile pre-stress (σ0 = 0, 10, 20 and 30 MPa) was subjected to 60 cycles of thermal shock. In each cycle, the specimen was heated from room temperature to 2000 °C within 5 s in an air atmosphere or an Ar atmosphere. The residual flexural strength of each specimen was tested, and the fracture morphology was characterized by using scanning electron microscopy (SEM). There were three different regions in the fracture surface of a specimen tested in the air, while no such difference could be observed in the fracture surfaces of the specimens that were tested in Ar. The residual flexural strength of the composite that was tested in Ar generally decreases with the increase of σ0. However, in the range of 0 ≤ σ0 ≤ 10 MPa, the residual flexural strength of the composite that was tested in the air ascended with the increase of σ0 due to the healing effect of oxidation, but it descended thereafter with a further increase of σ0, as the effect pre-stress that became prominent.

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“…Obviously, the ultra-high-temperature ablation of ceramics needs to comprehensively consider the interaction of temperature field, structural deformation and chemical reactions. Zhou et al [12] have extended the oxidation kinetics model of ZrB 2 and proposed a thermal force coupling model, which could describe the multi-field coupling behavior of ZrB 2 during high-temperature oxidation and predict the stress state of ceramic matrix and oxide layer during ablation process. Similarly, Wang et al [13] have proposed a chemical force coupling model based on Parthasarathy's oxidation kinetics model, comparing and analyzing the effect of different volume fractions of SiC on ablation resistance of ZrB 2 -SiC ceramics.…”

Section: Introductionmentioning

confidence: 99%

The Coupled Thermo-Chemo-Mechanical Peridynamics for ZrB2 Ceramics Ablation Behavior

Li¹,

Liu²,

Liu³

et al. 2023

Computer Modeling in Engineering &Amp; Sciences

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The ablation of ultra-high-temperature ceramics (UTHCs) is a complex physicochemical process including mechanical behavior, temperature effect, and chemical reactions. In order to realize the structural optimization and functional design of ultra-high temperature ceramics, a coupled thermo-chemo-mechanical bond-based peridynamics (PD) model is proposed based on the ZrB 2 ceramics oxidation kinetics model and coupled thermomechanical bond-based peridynamics. Compared with the traditional coupled thermo-mechanical model, the proposed model considers the influence of chemical reaction process on the ablation resistance of ceramic materials. In order to verify the reliability of the proposed model, the thermo-mechanical coupling model, damage model and oxidation kinetic model are established respectively to investigate the applicability of the proposed model proposed in dealing with thermo-mechanical coupling, crack propagation, and chemical reaction, and the results show that the model is reliable. Finally, the coupled thermo-mechanical model and coupled thermo-chemo-mechanical model are used to simulate the crack propagation process of the plate under the thermal shock load, and the results show that the oxide layer plays a good role in preventing heat transfer and protecting the internal materials. Based on the PD fully coupled thermo-mechanical model, this paper innovatively introduces the oxidation kinetic model to analyze the influence of parameter changes caused by oxide layer growth and chemical growth strain on the thermal protection ability of ceramics. The proposed model provides an effective simulation technology for the structural design of UTHCs.

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A Thermo‐Chemo‐Mechanical Model for the Oxidation of Zirconium Diboride

Cited by 25 publications

References 58 publications

Nanostructure and bonding of zirconium diboride thin films studied by X-ray spectroscopy

Nanostructure and bonding of zirconium diboride thin films studied by X-ray spectroscopy

Repeated Thermal Shock Behavior of ZrB2–SiC–Graphite Composite under Pre-Stress in Air and Ar Atmospheres

The Coupled Thermo-Chemo-Mechanical Peridynamics for ZrB2 Ceramics Ablation Behavior

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