Data tensors

Data tensors (three-way data). Progressing on the complexity of the structure of data, three-way data sets involve three domains of measurement. As an example, CE with MS-MS detection could theoretically generate such type of data. In practice, however, the full spectral acquisition required for tensorial data is not technically available yet. Besides, mathematical tools dealing with data tensors are not fully established (27,28). 

The structure of the section is as follows. In Section 2.8.2 we give necessary definitions and construct a Borel measure n which describes the work of the interaction forces, i.e. for a set A c F dr, the value /a(A) characterizes the forces at the set A. The next step is a proof of smoothness of the solution provided the exterior data are regular. In particular, we prove that horizontal displacements W belong to in a neighbourhood of the crack faces. Consequently, the components of the strain and stress tensors belong to the space In this case the measure n is absolutely continuous with respect to the Lebesgue measure. This confirms the existence of a locally integrable function q called a density of the measure n such that... 

Figure 1 The principal sources of structural data are the NOEs, which give information on the spatial proximity d of protons coupling constants, which give information on dihedral angles < i and residual dipolar couplings, which give information on the relative orientation 0 of a bond vector with respect to the molecule (to the magnetic anisotropy tensor or an alignment tensor). Protons are shown as spheres. The dashed line indicates a coordinate system rigidly attached to the molecule.

The pressure is to be identified as the component of stress in the direction of wave propagation if the stress tensor is anisotropic (nonhydrostatic). Through application of Eqs. (2.1) for various experiments, high pressure stress-volume states are directly determined, and, with assumptions on thermal properties and temperature, equations of state can be determined from data analysis. As shown in Fig. 2.3, determination of individual stress-volume states for shock-compressed solids results in a set of single end state points characterized by a line connecting the shock state to the unshocked state. Thus, the observed stress-volume points, the Hugoniot, determined do not represent a stress-volume path for a continuous loading. 

The preceding biaxial failure criteria suffer from various inadequacies in their representation of experimental data. One obvious way to improve the correlation between a criterion and experiment is to increase the number of terms in the prediction equation. This increase in curvefitting ability plus the added feature of representing the various strengths in tensor form was used by Tsai and Wu [2-26]. In the process, a new strength definition is required to represent the interaction between stresses in two directions. 

Thus, the Tsai-Wu tensor failure criterion is obviously of more general character than the Tsai-Hill or Hoffman failure criteria. Specific advantages of the Tsai-Wu failure criterion include (1) invariance under rotation or redefinition of coordinates (2) transformation via known tensor-transformation laws (so data interpretation is eased) and (3) symmetry properties similar to those of the stiffnesses and compliances. Accordingly, the mathematical operations with this tensor failure criterion are well-known and relatively straightforward. 

Pz = Pzz as well as the total pressure Pjot = Px + Py + Pz, then for symmetry reasons Px = Py, and this symmetry holds with good aeeuraey in our data (Fig. 20(e)). Generally one finds from the simulation that the total pressure follows the density profile. The pressure tensor Pap(z) is very useful... 

The ESR spectrum of C6H6 " trapped in CFCI3 at 15 K is shown in Figure la and agrees with that reported previously [18]. The principal values of the hyperfine coupling were obtained from previous ESR and ENDOR measurements [17, 18]. The best agreement with experiment was obtained with the axes oriented as in Table 4. In the latter study, the simulated ENDOR spectra were insensitive to the orientation of the tensor axes, however, and the assignment was made on the basis of molecular orbital calculations [9]. The tensor data are reproduced here for convenience (see Table 4). 

HgBa2Ca iCu 02 +2 (n = 1, 2, 3) EEG tensor at the copper, barium, and mercury sites, by Cu( Zn), Ba( Cs), and Hg ( Au) Mossbauer emission spectroscopy. Comparison with point-charge approximation and Cu NMR data showed that the holes originating from defects are localized primarily in the sublattice of the oxygen lying in the copper plane (for HgBa2Ca2Cu30g, in the plane of the Cu(2) atoms)... 

Surface nitrosyl complexes of TMI have been thoroughly investigated by the computational spectroscopy [22,23,32,33,36,49], and their molecular structure has been ascertained by a remarkable agreement between the theory and experiment of both vibrational (oscillation frequencies and intensities) and magnetic (g and A tensors) parameters. The calculated pNO values for the examined mononitrosyls along with the experimental frequencies are listed in Table 2.6. Analogous collation of the IR data for dinitrosyl species is shown in Table 2.7. 

The cross-peak coordinates represent two frequency values, va and vp, where va + vp=2v, and v is the proton frequency. When plotted in the coordinates v2a and v2p, the contour lineshape is transformed into a straight line segment. An extrapolation of this straight line permits the determination of the hyperfine tensors. A curve obtained by choosing some frequencies in the range will intersect the line defined by the squares of the values v2a and v2p in two points. The values where the curve intersects the experimental data are (val, vpi) and (va2, vp2), where va=A/2 + v, and vp= Vj-A/2. This gives two values of the anisotropic coupling tensor, Ar... 

Silk fibers, a basic system with a uniaxial symmetry, have also been investigated by Raman spectromicroscopy [63] that is one of the rare techniques capable of providing molecular data on such small (3-10 pm diameter) single filaments. The amide I band of the silk proteins has been particularly studied to determine the molecular orientation using the cylindrical Raman tensor approximation. In this work, it was assumed that Co Ci, C2 and the a parameter was determined from an isotropic sample using the following expression of the depolarization ratio... 

The polyerystalline spectrum of N02 on MgO is somewhat complex, but it yields an unambiguous g and hyperfine tensor which can be checked by comparison with data for NO2 in single crystals. For N02 on MgO, principal values of the hyperfine tensor are m = 53.0, 21 = 49.0, and a31 = 67.0 G (29). It should be noted here that neither the signs of the coupling constants nor their directions relative to the molecular coordinates... 

We know that a model in which the principal values of the g tensor are random variables, leading to Equation 9.1, falls short of describing experimental data in detail. Therefore, we now expand the model as follows the random variables are the principal values of a physical entity that is characterized by a tensor in 3-D space, but... 

---