Multiscale modeling, coarse-graining and shock wave computer simulations in materials science

Martin O. Steinhauser

1 Fraunhofer Institute for High-Speed Dynamics, Ernst-Mach-Institut, EMI, Eckerstrasse 4, 79104 Freiburg im Breisgau, Germany
2 Department of Chemisty, Faculty of Science, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland

Received: , Accepted: , Published:

Topical Section: Theory, simulations and modeling of materials

References

1. Phillips RR (2001) Crystals, defects and microstructures: Modeling across scales, Cambridge: Cambridge University Press.

2. Yip S (2005) Handbook of materials modeling, Berlin: Springer.

3. Steinhauser MO (2017) Computational Multiscale Modeling of Fluids and Solids-Theory and Applications, 2nd Edition, Berlin: Springer.

4. McNeil PL, Terasaki M (2001) Coping with the inevitable: how cells repair a torn surface membrane. Nat Cell Biol 3: E124–E129.    

5. Schmidt M, Kahlert U, Wessolleck J, et al. (2014) Characterization of a setup to test the impact of high-amplitude pressure waves on living cells. Sci Rep 4: 3849.

6. Gambihler S, Delius M, Ellwart JW (1992) Transient increase in membrane permeability of L1210 cells upon exposure to lithotripter shock waves in vitro. Naturwissenschaften 79: 328–329.    

7. Gambihler S, Delius M, Ellwart JW (1994) Permeabilization of the plasma membrane of L1210 mouse leukemia cells using lithotripter shock waves. J Membrane Biol 141: 267–275.

8. Kodama T, Doukas AG, Hamblin MR (2002) Shock wave-mediated molecular delivery into cells. BBA-Mol Cell Res 1542: 186–194.

9. Bao G, Suresh S (2003) Cell and molecular mechanics of biological materials. Nat Mater 2: 715–725.    

10. Tieleman DP, Leontiadou H, Mark AE, et al. (2003) Simulation of Pore Formation in Lipid Bilayers by Mechanical Stress and Electric Fields. J Am Chem Soc 125: 6382–6383.    

11. Sundaram J, Mellein BR, Mitragotri S (2003) An Experimental and Theoretical Analysis of Ultrasound-Induced Permeabilization of Cell Membranes. Biophys J 84: 3087–3101.    

12. Doukas AG, Kollias N (2004) Transdermal drug delivery with a pressure wave. Adv Drug Deliver Rev 56: 559–579.    

13. Coussios CC, Roy RA (2008) Applications of Acoustics and Cavitation to Noninvasive Therapy and Drug Delivery. Annu Rev Fluid Mech 40: 395–420.    

14. Prausnitz MR, Langer R (2008) Transdermal drug delivery. Nat Biotechnol 26: 1261–1268.    

15. Ashley CE, Carnes EC, Phillips GK, et al. (2011) The targeted delivery of multicomponent cargos to cancer cells by nanoporous particle-supported lipid bilayers. Nat Mater 10: 389–397.    

16. Koshiyama K, Wada S (2011) Molecular dynamics simulations of pore formation dynamics during the rupture process of a phospholipid bilayer caused by high-speed equibiaxial stretching. J Biomech 44: 2053–2058.    

17. Steinhauser MO (2016) On the Destruction of Cancer Cells Using Laser-Induced Shock-Waves: A Review on Experiments and Multiscale Computer Simulations. Radiol Open J 1: 60–75.    

18. Krehl POK (2009) History of Shock Waves, Explosions and Impact: A Chronological and Biographical Reference, Berlin: Springer.

19. Steinhauser MO, Schneider J, Blumen A (2009) Simulating dynamic crossover behavior of semiflexible linear polymers in solution and in the melt. J Chem Phys 130: 164902.    

20. Rodriguez V, Saurel R, Jourdan G, et al. (2013) Solid-particle jet formation under shock-wave acceleration. Phys Rev E 88: 063011.    

21. Zheng J, Chen QF, Gu YJ, et al. (2012) Hugoniot measurements of double-shocked precompressed dense xenon plasmas. Phys Rev E 86: 066406.    

22. Falk K, Regan SP, Vorberger J, et al. (2013) Comparison between x-ray scattering and velocityinterferometry measurements from shocked liquid deuterium. Phys Rev E 87: 043112.    

23. Brujan EA, Matsumoto Y (2014) Shock wave emission from a hemispherical cloud of bubbles in non-Newtonian fluids. J Non-Newton Fluid 204: 32–37.    

24. Iakovlev S, Iakovlev S, Buchner C, et al. (2014) Resonance-like phenomena in a submerged cylindrical shell subjected to two consecutive shock waves: The effect of the inner fluid. J Fluid Struct 50: 153–170.    

25. Bringa EM, Caro A,Wang YM, et al. (2005) Ultrahigh strength in nanocrystalline materials under shock loading. Science 309: 1838–1841.    

26. Kadau K, Germann TC, Lomdahl PS, et al. (2007) Shock waves in polycrystalline iron. Phys Rev Lett 98: 135701.    

27. Knudson MD, Desjarlais MP, Dolan DH (2008) Shock-Wave Exploration of the High-Pressure Phases of Carbon. Science 322: 1822–1825.    

28. Gurnett DA, Kurth WS (2005) Electron plasma oscillations upstream of the solar wind termination shock. Science 309: 2025–2027.    

29. Gurnett DA, Kurth WS (2008) Intense plasma waves at and near the solar wind termination shock. Nature 454: 78–80.    

30. Dutton Z, Budde M, Slowe C, et al. (2001) Observation of quantum shock waves created with ultra-compressed slow light pulses in a Bose-Einstein condensate. Science 293: 663–668.    

31. Damski B (2006) Shock waves in a one-dimensional Bose gas: From a Bose-Einstein condensate to a Tonks gas. Phys Rev A 73: 043601.    

32. Chang JJ, Engels P, Hoefer MA (2008) Formation of dispersive shock waves by merging and splitting Bose-Einstein condensates. Phys Rev Lett 101: 170404.    

33. Millot M, Dubrovinskaia N, Černok A, et al. (2015) Planetary science. Shock compression of stishovite and melting of silica at planetary interior conditions. Science 347: 418–420.

34. Bridge HS, Lazarus AJ, Snyder CW, et al. (1967) Mariner V: Plasma and Magnetic Fields Observed near Venus. Science 158: 1669–1673.    

35. McKee CF, Draine BT (1991) Interstellar shock waves. Science 252: 397–403.    

36. McClure S, Dorfmüller C (2002) Extracorporeal shock wave therapy: Theory and equipment. Clin Tech Equine Pract 2: 348–357.

37. Lingeman JE, McAteer JA, Gnessin E, et al. (2009) Shock wave lithotripsy: advances in technology and technique. Nat Rev Urol 6: 660–670.    

38. Cherenkov PA (1934) Visible emission of clean liquids by action of gamma radiation. Dokl Akad Nauk SSSR 2: 451–454.

39. Mach E, Salcher P (1887) Photographische Fixirung der durch Projectile in der Luft eingeleiteten Vorgänge. Ann Phys 268: 277–291.    

40. Kühn M, Steinhauser MO (2008) Modeling and simulation of microstructures using power diagrams: Proof of the concept. Appl Phys Lett 93: 034102.    

41. Walsh JM, Rice MH (1957) Dynamic compression of liquids from measurements on strong shock waves. J Chem Phys 26: 815–823.    

42. Asay JR, Chhabildas LC (2003) Paradigms and Challenges in Shock Wave Research, High-Pressure Shock Compression of Solids VI, New York: Springer-Verlag New York, 57–119.

43. Steinhauser MO, Grass K, Strassburger E, et al. (2009) Impact failure of granular materials-Nonequilibrium multiscale simulations and high-speed experiments. Int J Plasticity 25: 161–182.    

44. Watson E, Steinhauser MO (2017) Discrete Particle Method for Simulating Hypervelocity Impact Phenomena. Materials 10: 379.    

45. Holian BL, Lomdahl PS (1998) Plasticity induced by shock waves in nonequilibrium moleculardynamics simulations. Science 280: 2085–2088.    

46. Kadau K, Germann TC, Lomdahl PS, et al. (2002) Microscopic view of structural phase transitions induced by shock waves. Science 296: 1681–1684.    

47. Chen M, McCauley JW, Hemker KJ (2003) Shock-Induced Localized Amorphization in Boron Carbide. Science 299: 1563–1566.    

48. Holian BL (2004) Molecular dynamics comes of age for shockwave research. Shock Waves 13: 489–495.

49. Germann TC, Kadau K (2008) Trillion-atom molecular dynamics becomes a reality. Int J Mod Phys C 19: 1315–1319.    

50. Ciccotti G, Frenkel G, McDonald IR (1987) Simulation of Liquids and Solids, Amsterdam: North-Holland.

51. Allen MP, Tildesley DJ (1987) Computer Simulation of Liquids, Oxford, UK: Clarendon Press.

52. Liu WK, Hao S, Belytschko T, et al. (1999) Multiple scale meshfree methods for damage fracture and localization. Comp Mater Sci 16: 197–205.    

53. Gates TS, Odegard GM, Frankland SJV, et al. (2005) Computational materials: Multi-scale modeling and simulation of nanostructured materials. Compos Sci Technol 65: 2416–2434.    

54. Steinhauser MO (2013) Computer Simulation in Physics and Engineering, 1st Edition, Berlin: deGruyter.

55. Finnis MW, Sinclair JE (1984) A simple empirical N-body potential for transition metals. Philos Mag A 50: 45–55.    

56. Kohn W (1996) Density functional and density matrix method scaling linearly with the number of atoms. Phys Rev Lett 76: 3168–3171.    

57. Car R, Parrinello M (1985) Unified approach for molecular dynamics and density-functional theory. Phys Rev Lett 55: 2471–2474.    

58. Elstner M, Porezag D, Jungnickel G, et al. (1998) Self-consistent-charge density-functional tightbinding method for simulations of complex materials properties. Phys Rev B 58: 7260–7268.    

59. Sutton AP, Finnis MW, Pettifor DG, et al. (1988) The tight-binding bond model. J Phys C-Solid State Phys 21: 35–66.    

60. Szabo A, Ostlund NS (1996) Modern quantum chemistry: introduction to advanced electronic structure theory, (Dover Books on Chemistry), New York: Dover Publications.

61. Kadau K, Germann TC, Lomdahl PS (2006) Molecular dynamics comes of age: 320 billion atom simulation on BlueGene/L. Int J Mod Phys C 17: 1755–1761.    

62. Fineberg J (2003) Materials science: close-up on cracks. Nature 426: 131–132.    

63. Buehler M, Hartmaier A, Gao H, et al. (2004) Atomic plasticity: description and analysis of a onebillion atom simulation of ductile materials failure. Comput Method Appl M 193: 5257–5282.    

64. Abraham FF, Gao HJ (2000) How fast can cracks propagate? Phys Rev Lett 84: 3113–3116.    

65. Bulatov V, Abraham FF, Kubin L, et al. (1998) Connecting atomistic and mesoscale simulations of crystal plasticity. Nature 391: 669–672.    

66. Gross SP, Fineberg J, Marder M, et al. (1993) Acoustic emissions from rapidly moving cracks. Phys Rev Lett 71: 3162–3165.    

67. Courant R (1943) Variational Methods for the Solution of Problems of Equilibrium and Vibrations. B Am Math Soc 49: 1–23.

68. Lucy LB (1977) A numerical approach to the testing of the fission hypothesis. Astron J 82: 1013–1024.    

69. Cabibbo N, Iwasaki Y, Schilling K (1999) High performance computing in lattice QCD. Parallel Comput 25: 1197–1198.    

70. Evertz HG (2003) The loop algorithm. Adv Phys 52: 1–66.    

71. Holm EA, Battaile CC (2001) The computer simulation of microstructural evolution. JOM 53: 20–23.

72. Nielsen SO, Lopez CF, Srinivas G, et al. (2004) Coarse grain models and the computer simulation of soft materials. J Phys-Condens Mat 16: 481–512.    

73. Praprotnik M, Site LD, Kremer K (2008) Multiscale simulation of soft matter: From scale bridging to adaptive resolution. Annu Rev Phys Chem 59: 545–571.    

74. Karimi-Varzaneh HA, Müller-Plathe F (2011) Coarse-Grained Modeling for Macromolecular Chemistry, In: Kirchner B, Vrabec J, Topics in Current Chemistry, Berlin, Heidelberg: Springer, 326–321.

75. Müller-Plathe F (2002) Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back. Chem Phys Chem 3: 755–769.

76. Abraham FF, Broughton JQ, Broughton JQ, et al. (1998) Spanning the length scales in dynamic simulation. Comp Phys 12: 538–546.    

77. Abraham FF, Brodbeck D, Rafey R, et al. (1994) Instability dynamics of fracture: A computer simulation investigation. Phys Rev Lett 73: 272–275.    

78. Abraham FF, Brodbeck D, Rudge WE, et al. (1998) Ab initio dynamics of rapid fracture. Model Simul Mater Sc 6: 639–670.    

79. Warshel A, LevittM(1976) Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme. J Mol Biol 103: 227–249.

80. Winkler RG, Steinhauser MO, Reineker P (2002) Complex formation in systems of oppositely charged polyelectrolytes: a molecular dynamics simulation study. Phys Rev E 66: 021802.

81. Dünweg B, Reith D, Steinhauser M, et al. (2002) Corrections to scaling in the hydrodynamic properties of dilute polymer solutions. J Chem Phys 117: 914–924.    

82. Stevens MJ (2004) Coarse-grained simulations of lipid bilayers. J Chem Phys 121: 11942–11948.    

83. Steinhauser MO (2005) A molecular dynamics study on universal properties of polymer chains in different solvent qualities. Part I. A review of linear chain properties. J Chem Phys 122: 094901.

84. Steinhauser MO, Hiermaier S (2009) A Review of Computational Methods in Materials Science: Examples from Shock-Wave and Polymer Physics. Int J Mol Sci 10: 5135–5216.    

85. Goetz R, Gompper G, Lipowsky R (1999) Mobility and elasticity of self-assembled membranes. Phys Rev Lett 82: 221–224.    

86. Lipowsky R (2004) Biomimetic membrane modelling: pictures from the twilight zone. Nat Mater 3: 589–591.    

87. Lyubartsev AP (2005) Multiscale modeling of lipids and lipid bilayers. Eur Biophys J 35: 53–61.    

88. Orsi M, Michel J, Essex JW (2010) Coarse-grain modelling of DMPC and DOPC lipid bilayers. J Phys-Condens Mat 22: 155106.    

89. Steinhauser MO (2012) Introduction to Molecular Dynamics Simulations: Applications in Hard and Soft Condensed Matter Physics, InTech.

90. Alberts B, Bray D, Johnson A, et al. (2000) Molecular Biology of the Cell, 4 Edition, New York: Garland Science, Taylor and Francis Group.

91. Steinhauser MO, Steinhauser MO, Schmidt M (2014) Destruction of cancer cells by laserinduced shock waves: recent developments in experimental treatments and multiscale computer simulations. Soft Matter 10: 4778–4788.    

92. Tozzini V (2004) Coarse-grained models for proteins. Curr Opin Struc Biol 15: 144–150.

93. Ayton GS, Noid WG, Voth GA (2007) Multiscale modeling of biomolecular systems: in serial and in parallel. Curr Opin Struc Biol 17: 192–198.    

94. Forrest LR, Sansom MS (2000) Membrane simulations: bigger and better? Curr Opin Struc Biol 10: 174–181.    

95. Woods CJ, Mulholland AJ (2008) Multiscale modelling of biological systems. RSC Special Periodicals Report: Chemical Modelling, Applications and Theory 5: 13–50.    

96. Steinhauser MO (editor) (2016) Special Issue of the Journal Materials: Computational Multiscale Modeling and Simulation in Materials Science. Available from: http://www.mdpi.com/journal/materials/special issues/modeling and simulation.

97. Brendel W (1986) Shock Waves: A New Physical Principle in Medicine. Eur Surg Res 18: 177–180.    

98. Wang CJ (2003) An overview of shock wave therapy in musculoskeletal disorders. Chang Gung Med J 26: 220–232.

99. Wang ZJZ, DesernoM (2010) A systematically coarse-grained solvent-free model for quantitative phospholipid bilayer simulations. J Phys Chem B 114: 11207–11220.    

100. Wang ZB, Wu J, Fang LQ, et al. (2011) Preliminary ex vivo feasibility study on targeted cell surgery by high intensity focused ultrasound (HIFU). Ultrasonics 51: 369–375.    

101. Wang S, Frenkel V, Zderic V (2011) Optimization of pulsed focused ultrasound exposures for hyperthermia applications. J Acoust Soc Am 130: 599–609.    

102. Paul W, Smith GD, Yoon DY (1997) Static and dynamic properties of an-C100H202 melt from molecular dynamics simulations. Macromolecules 30: 7772–7780.    

103. Kreer T, Baschnagel J, Mueller M, et al. (2001) Monte Carlo Simulation of long chain polymer melts: Crossover from Rouse to reptation dynamics. Macromolecules 34: 1105–1117.    

104. Krushev S, Paul W, Smith GD (2002) The role of internal rotational barriers in polymer melt chain dynamics. Macromolecules 35: 4198–4203.    

105. Bulacu M, van der Giessen E (2005) Effect of bending and torsion rigidity on self-diffusion in polymer melts: A molecular-dynamics study. J Chem Phys 123: 114901.    

106. Kratky O, Porod G (1949) Röntgenuntersuchung gelöster Fadenmoleküle. Recl Trva Chim Pays-Bas 68: 1106–1122.

107. Doi M, Edwards SF (1986) The Theory of Polymer Dynamics, Oxford: Clarendon Press.

108. Harris RA, Hearst JE (1966) On Polymer Dynamics. J Chem Phys 44: 2595–2602.    

109. Hearst JE, Harris RA (1967) On Polymer Dynamics. III. Elastic Light Scattering. J Chem Phys 46: 398–398.

110. Harnau L, Winkler RG, Reineker P (1997) Influence of stiffness on the dynamics of macromolecules in a melt. J Chem Phys 106: 2469–2476.    

111. Harnau L, WInkler RG, Reineker P (1999) On the dynamics of polymer melts: Contribution of Rouse and bending modes. EPL 45: 488–494.    

112. Steinhauser MO (2008) Static and dynamic scaling of semiflexible polymer chains-a molecular dynamics simulation study of single chains and melts. Mech Time-Depend Mat 12: 291–312.    

113. Guenza M (2003) Cooperative dynamics in semiflexibile unentangled polymer fluids. J Chem Phys 119: 7568–7578.    

114. Piran T (2004) Statistical Mechanics of Membranes and Interfaces, 2 edition, World Scientific Publishing Co., Inc.

115. Schindler T, Kröner D, Steinhauser MO (2016) On the dynamics of molecular self-assembly and the structural analysis of bilayer membranes using coarse-grained molecular dynamics simulations. BBA-Biomembranes 1858: 1955–1963.    

116. Brannigan G, Lin LCL, Brown FLH (2006) Implicit solvent simulation models for biomembranes. Eur Biophys J 35: 104–124.    

117. Chang R, Ayton GS, Voth GA (2005) Multiscale coupling of mesoscopic- and atomistic-level lipid bilayer simulations. J Chem Phys 122: 244716.    

118. Huang MJ, Kapral R, Mikhailov AS, et al. (2012) Coarse-grain model for lipid bilayer selfassembly and dynamics: Multiparticle collision description of the solvent. J Chem Phys 137: 055101.    

119. Pandit SA, Scott HL (2009) Multiscale simulations of heterogeneous model membranes. BBA-Biomembranes 1788: 136–148.    

120. Farago O (2003) "Water-free" computer model for fluid bilayer membranes. J Chem Phys 119: 596–605.    

121. Brannigan G, Philips PF, Brown FLH (2005) Flexible lipid bilayers in implicit solvent. Phys Rev E 72: 011915.    

122. Yuan H, Huang C, Li J, et al. (2010) One-particle-thick, solvent-free, coarse-grained model for biological and biomimetic fluid membranes. Phys Rev E 82: 011905.    

123. Noguchi H (2011) Solvent-free coarse-grained lipid model for large-scale simulations. J Chem Phys 134: 055101.    

124. Weiner SJ, Kollman PA, Case DA, et al. (1984) A new force field for molecular mechanical simulation of nucleic acids and proteins. J Am Chem Soc 106: 765–784.    

125. Paul W, Yoon DY, Smith GD, et al. (1995) An Optimized United Atom Model for Simulations of Polymethylene Melts. J Chem Phys 103: 1702–1709.    

126. Siu SWI, Vácha R, Jungwirth P, et al. (2008) Biomolecular simulations of membranes: physical properties from different force fields. J Phys Chem 128: 125103.    

127. Drouffe JM, Maggs AC, Leibler S, et al. (1991) Computer simulations of self-assembled membranes. Science 254: 1353–1356.    

128. Goetz R, Lipowsky R (1998) Computer simulations of bilayer membranes: Self-assembly and interfacial tension. J Chem Phys 108: 7397–7409.    

129. Noguchi H, Takasu M (2001) Self-assembly of amphiphiles into vesicles: A Brownian dynamics simulation. Phys Rev E 64: 041913.    

130. Bourov GK, Bhattacharya A (2005) Brownian dynamics simulation study of self-assembly of amphiphiles with large hydrophilic heads. J Chem Phys 122: 44702.    

131. Steinhauser MO, Grass K, Thoma K, et al. (2006) Impact dynamics and failure of brittle solid states by means of nonequilibrium molecular dynamics simulations. EPL 73: 62–68.    

132. Yang S, Qu J (2014) Coarse-grained molecular dynamics simulations of the tensile behavior of a thermosetting polymer. Phys Rev E 90: 012601.    

133. Eslami H, Müller-Plathe F (2013) How thick is the interphase in an ultrathin polymer film? Coarse-grained molecular dynamics simulations of polyamide-6,6 on graphene. J Phys Chem 117: 5249–5257.

134. Ganzenm¨uller GC, Hiermaier S, Steinhauser MO (2011) Shock-wave induced damage in lipid bilayers: a dissipative particle dynamics simulation study. Soft Matter 7: 4307–4317.    

135. Huang WX, Chang CB, Sung HJ (2012) Three-dimensional simulation of elastic capsules in shear flow by the penalty immersed boundary method. J Comput Phys 231: 3340–3364.    

136. Pazzona FG, Demontis P (2012) A grand-canonical Monte Carlo study of the adsorption properties of argon confined in ZIF-8: local thermodynamic modeling. J Phys Chem 117: 349–357.

137. Pogodin S, Baulin VA (2010) Coarse-grained models of phospholipid membranes within the single chain mean field theory. Soft Matter 6: 2216–2226.    

138. Wang Y, Sigurdsson JK, Brandt E, et al. (2013) Dynamic implicit-solvent coarse-grained models of lipid bilayer membranes: fluctuating hydrodynamics thermostat. Phys Rev E 88: 023301.    

139. Koshiyama K, Kodama T, Yano T, et al. (2006) Structural Change in Lipid Bilayers and Water Penetration Induced by Shock Waves: Molecular Dynamics Simulations. Biophys J 91: 2198–2205.    

140. Koshiyama K, Kodama T, Yano T, et al. (2008) Molecular dynamics simulation of structural changes of lipid bilayers induced by shock waves: Effects of incident angles. BBA-Biomembranes 1778: 1423–1428.    

141. Lechuga J, Drikakis D, Pal S (2008) Molecular dynamics study of the interaction of a shock wave with a biological membrane. Int J Numer Mech Fluids 57: 677–692.    

142. Kodama T, Kodama T, Hamblin MR, et al. (2000) Cytoplasmic molecular delivery with shock waves: importance of impulse. Biophys J 79: 1821–1832.    

143. Doukas AG, McAuliffe DJ, Lee S, et al. (1995) Physical factors involved in stress-wave-induced cell injury: The effect of stress gradient. Ultrasound Med Biol 21: 961–967.    

144. Doukas AG, Flotte TJ (1996) Physical characteristics and biological effects of laser-induced stress waves. Ultrasound Med Biol 22: 151–164.    

145. Lee S, Doukas AG (1999) Laser-generated stress waves and their effects on the cell membrane. IEEE J Sel Top Quant 5: 997–1003.    

146. Español P (1997) Dissipative Particle Dynamics with energy conservation. EPL 40: 631–636.    

147. Steinhauser MO, Schindler T (2017) Particle-based simulations of bilayer membranes: selfassembly, structural analysis, and shock-wave damage. Comp Part Mech 4: 69–86.    

148. Hansen JP, McDonald IR (2005) Theory of Simple Liquids, Academic Press.

Copyright Info: © 2017, Martin O. Steinhauser, licensee AIMS Press. This is an open access article distributed under the terms of the Creative Commons Attribution Licese (http://creativecommons.org/licenses/by/4.0)