Skip to main content
Disciplines
Automotive Business IT + Informatics Construction + Real Estate Electrical Engineering + Electronics Energy + Sustainability Insurance + Risk Finance + Banking Management + Leadership Marketing + Sales Mechanical Engineering + Materials
Events
DE
EN
Books
Journals
Topic Page
Marketing
Start single access now
Access for companies
EXTENDED SEARCH
Log in
Top
Journal of Materials Science
Published in: Journal of Materials Science 4/2019

22-10-2018 | Ceramics

Dynamic crack propagation behaviors of calcium carbonate: aragonite

Authors: Ning Zhang, Yu Hong, Youping Chen

Published in: Journal of Materials Science | Issue 4/2019

Log in

Activate our intelligent search to find suitable subject content or patents.

search-config
loading …

Abstract

Molecular dynamics simulations are carried out in this report to study the dynamic fracture behaviors of single crystal aragonite. Two typical edge and central model I cracks that along [010] and [100] directions, respectively, are introduced to the aragonite plates. Our simulation results reveal that (110) and (010) planes are the preferable cleavage planes for crack propagation in aragonite, which is in good agreement with the experimental observations. Brittle and ductile fracture behaviors are identified when the applied tensile loadings are along [010] and [100] directions, respectively. Zigzag crack propagation path, i.e., crack deflections, is observed in the uniaxial tension simulation of the models with [010]-oriented cracks. Overall, the cracks prefer to propagate along (110) plane. Stable nonlinear crack growth and the following unstable crack propagation are identified through analyzing the crack growth resistance. For the case with [100]-oriented crack, straight propagation path and flat (010) crack surfaces are revealed after the fracture of aragonite.
previous article Reliable brazing of SiBCN ceramic and TC4 alloy using AgCuTi filler with the assist of laser melting deposited FGM layers
next article Synthesis and formation mechanism of porous silicon carbide stacked by nanoparticles from precipitated silica/glucose composites

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

inform now

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

inform now
Literature
1.
2.
Zhang N (2013) Molecular mechanistic origin of the mechanical properties of nacre. University of Florida, Gainesville
3.
Araki Y et al (2012) Atomic-resolution imaging of aragonite (001) surface in water by frequency modulation atomic force microscopy. Jpn J Appl Phys 51(8S3):08KB09CrossRef
4.
Zhang N et al (2016) Nanoscale toughening mechanism of nacre tablet. J Mech Behav Biomed Mater 53:200–209CrossRef
5.
Zhang N, Chen Y (2012) Molecular origin of the sawtooth behavior and the toughness of nacre. Mater Sci Eng C 32(6):1542–1547CrossRef
6.
Islam KN et al (2013) A novel method for the synthesis of calcium carbonate (aragonite) nanoparticles from cockle shells. Powder Technol 235:70–75CrossRef
7.
Litvin YA (2017) Mantle rocks and diamond-associated phases: role in diamond origin. In: Genesis of diamonds and associated phases. Springer, pp 7–29
8.
Kearney C et al (2006) Nanoscale anisotropic plastic deformation in single crystal aragonite. Phys Rev Lett 96(25):255505CrossRef
9.
Han YH et al (1991) Knoop microhardness anisotropy of single-crystal aragonite. J Am Ceram Soc 74(12):3129–3132CrossRef
10.
Liu L-G et al (2005) Elasticity of single-crystal aragonite by Brillouin spectroscopy. Phys Chem Miner 32(2):97–102CrossRef
11.
Huang Z et al (2011) Uncovering high-strain rate protection mechanism in nacre. Sci Rep 1:148CrossRef
12.
Miyake A, Kawano J (2010) High-temperature molecular dynamics simulation of aragonite. J Phys: Condens Matter 22(22):225402
13.
Liu J et al (2000) Simulation of structural transformation in aragonite CaCO3. In: AIP conference proceedings. AIP
14.
Ono S et al (2005) Post-aragonite phase transformation in CaCO3 at 40 GPa. Am Miner 90(4):667–671CrossRef
15.
Arapan S, Ahuja R (2010) High-pressure phase transformations in carbonates. Phys Rev B 82(18):184115CrossRef
16.
Zhang Y et al (2017) Mechanisms of crack propagation in nanoscale single crystal, bicrystal and tricrystal nickels based on molecular dynamics simulation. Results Phys 7:1722–1733CrossRef
17.
Lu Z, Liu Y (2010) Small time scale fatigue crack growth analysis. Int J Fatigue 32(8):1306–1321CrossRef
18.
Sun L et al (2014) Deformation and failure mechanisms of nanotwinned copper films with a pre-existing crack. Mater Sci Eng A 606:334–345CrossRef
19.
Hocker S et al (2016) Molecular dynamics simulations of tensile tests of Ni-, Cu-, Mg-and Ti-alloyed aluminium nanopolycrystals. Comput Mater Sci 116:32–43CrossRef
20.
Borodin V, Vladimirov P (2011) Molecular dynamics simulations of quasi-brittle crack development in iron. J Nucl Mater 415(3):320–328CrossRef
21.
Wang S et al (2016) Atomically sharp crack tips in monolayer MoS2 and their enhanced toughness by vacancy defects. ACS Nano 10(11):9831–9839CrossRef
22.
23.
Zhang N, Shahsavari R (2016) Balancing strength and toughness of calcium-silicate-hydrate via random nanovoids and particle inclusions: Atomistic modeling and statistical analysis. J Mech Phys Solids 96:204–222CrossRef
24.
Rountree CL et al (2002) Atomistic aspects of crack propagation in brittle materials: Multimillion atom molecular dynamics simulations. Annu Rev Mater Res 32(1):377–400CrossRef
25.
Buehler MJ, Abraham FF, Gao H (2003) Hyperelasticity governs dynamic fracture at a critical length scale. Nature 426(6963):141CrossRef
26.
Murali P et al (2011) Atomic scale fluctuations govern brittle fracture and cavitation behavior in metallic glasses. Phys Rev Lett 107(21):215501CrossRef
27.
Zhang N, Zaeem MA (2016) Competing mechanisms between dislocation and phase transformation in plastic deformation of single crystalline yttria-stabilized tetragonal zirconia nanopillars. Acta Mater 120:337–347CrossRef
28.
Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117(1):1–19CrossRef
29.
Verlet L (1967) Computer “experiments” on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Phys Rev 159(1):98CrossRef
30.
Dove MT et al (1992) A new interatomic potential model for calcite; applications to lattice dynamics studies, phase transition, and isotope fractionation. Am Miner 77(3–4):244–250
31.
Deng Q, Xiong L, Chen YJIJP (2010) Coarse-graining atomistic dynamics of brittle fracture by finite element method. Int J Plast 26(9):1402–1414CrossRef
32.
Lawn B, Wilshaw TR (1993) Fracture of brittle solids. Cambridge University Press, CambridgeCrossRef
33.
Kwak M, Shindo H (2005) Atomic force microscopic observation of facet formation on various faces of aragonite in aqueous acetic acid. J Cryst Growth 275(1–2):e1655–e1659CrossRef
34.
Shindo H, Kwak M (2005) Stabilities of crystal faces of aragonite (CaCO3) compared by atomic force microscopic observation of facet formation processes in aqueous acetic acid. Phys Chem Chem Phys 7(4):691–696CrossRef
35.
Huggins ML (1922) The crystal structures of aragonite (CaCO3) and related minerals. Phys Rev 19(4):354CrossRef
Metadata
Title
Dynamic crack propagation behaviors of calcium carbonate: aragonite
Authors
Ning Zhang
Yu Hong
Youping Chen
Publication date
22-10-2018
Publisher
Springer US
Published in
Journal of Materials Science / Issue 4/2019
Print ISSN: 0022-2461
Electronic ISSN: 1573-4803
DOI
https://doi.org/10.1007/s10853-018-3028-3

Other articles of this Issue 4/2019

Journal of Materials Science 4/2019 Go to the issue

Electronic materials

Modified qHAADF method for atomic column-by-column compositional quantification of semiconductor heterostructures

Computation

In situ observation and phase-field simulation on the influence of pressure rate on dendritic growth kinetics in the solidification of succinonitrile

Chemical routes to materials

Highly selective catalytic conversion of lignin-derived phenolic compounds to cycloalkanes over a hierarchically structured zeolite catalyst

Energy materials

Porous CoP/C@MCNTs hybrid composite derived from metal–organic frameworks for high-performance lithium-ion batteries

Composites

Composites with surface-grafted cellulose nanocrystals (CNC)

Energy materials

Improvement of thermoelectric properties of Ca0.9Gd0.1MnO3 by powder engineering through K2CO3 additions

Premium Partners

    Image Credits