Elasticity of magnesite and dolomite from a genetic algorithm for inverting Brillouin spectroscopy measurements

A hybrid numerical scheme that simultaneously retrieves single-crystal elastic constants, Cij, and wave-normal directions is applied to determine the elasticity of natural samples of both magnesite and dolomite, as measured by Brillouin spectroscopy at ambient conditions. The scheme incorporates the genetic algorithm (GA) as a global searching tool and a final local linearization to overcome the intrinsic difficulty of fitting non-linear Christoffel’s equation. To compensate for the stochastic nature of GA, especially when the misfit function of the problem manifests highly rugged topography in the model space, the procedure was repeated for multi-runs. This is to assure that the best solution is captured by examining the statistics among the runs that yield the fittest solutions. The resultant elastic constants C11, C12, C13, C14, C33 and C44 are, respectively, 260.3(2.6), 82.9(4.5), 59.6(3.1), (−)20.1(1.3), 153.7(4.1) and 59.7(1.4) GPa for magnesite. For dolomite, C11, C12, C13, C14, C15, C33 and C44 are, respectively, 204.1(2.2), 68.5(3.4), 45.8(4.4), 20.6(1.3), 6.7(1.5), 97.4(5.3) and 39.1(1.5) GPa. Unfortunately, the results for dolomite are statistically non-unique in the numerical calculation. The above data were adopted because the cleavage plane of dolomite was used in the experiment. The results for both magnesite and dolomite are compatible with those determined earlier by ultrasonic methods. It is anticipated that the new method developed in the present study should be applicable to less symmetric crystals, since there are no particular assumptions on the crystal symmetry embedded within the scheme. © 2005 Elsevier B.V. All rights reserved.

[1]  W. Bragg,et al.  The crystal structures of minerals , 1965 .

[2]  B. Auld,et al.  Acoustic fields and waves in solids , 1973 .

[3]  A. Every General closed-form expressions for acoustic waves in elastically anisotropic solids , 1980 .

[4]  R. Hearmon,et al.  The Elastic Constants of Anisotropic Materials , 1946 .

[5]  Robert Bruce Lindsay,et al.  Physical Properties of Crystals , 1957 .

[6]  H. Mao,et al.  Elasticity of forsterite to 16 GPa and the composition of the upper mantle , 1995, Nature.

[7]  Chien-Chih Chen,et al.  Letters. Elasticity of single-crystal calcite and rhodochrosite by Brillouin spectroscopy , 2001 .

[8]  William H. Press,et al.  Numerical recipes in C. The art of scientific computing , 1987 .

[9]  D. Vo Thanh,et al.  Experimental study of the elasticity of single crystalline calcite under high pressure (the calcite I-calcite II transition at 14.6 Kbar) , 1984 .

[10]  Zbigniew Michalewicz,et al.  Genetic Algorithms + Data Structures = Evolution Programs , 1996, Springer Berlin Heidelberg.

[11]  William H. Press,et al.  Book-Review - Numerical Recipes in Pascal - the Art of Scientific Computing , 1989 .

[12]  H. B. Huntington The Elastic Constants of Crystals , 1958 .

[13]  D. Dandekar Variation in the Elastic Constants of Calcite with Temperature , 1968 .

[14]  J. Nye Physical Properties of Crystals: Their Representation by Tensors and Matrices , 1957 .

[15]  Sachse,et al.  Determination of the elastic constants of anisotropic solids from acoustic-wave group-velocity measurements. , 1990, Physical review. B, Condensed matter.

[16]  Richard J. Reeder,et al.  Crystal chemistry of the rhombohedral carbonates , 1983 .

[17]  John H. Holland,et al.  Adaptation in Natural and Artificial Systems: An Introductory Analysis with Applications to Biology, Control, and Artificial Intelligence , 1992 .

[18]  William H. Press,et al.  Numerical Recipes in Fortran 77: The Art of Scientific Computing 2nd Editionn - Volume 1 of Fortran Numerical Recipes , 1992 .

[19]  Dattatraya P. Dandekar,et al.  Pressure Dependence of the Elastic Constants of Calcite , 1968 .

[20]  D. L. Anderson Theory of Earth , 2014 .

[21]  S. Sinogeikin,et al.  Single-crystal elasticity of pyrope and MgO to 20 GPa by Brillouin scattering in the diamond cell , 2000 .

[22]  H. Mao,et al.  Brillouin scattering and X-ray diffraction of San Carlos olivine: direct pressure determination to 32 GPa , 1998 .