If the mass and stiffness matrices of a system can be created, for example in a finite element or structural matrix analysis, the fundamental natural vibration modes can be found via eigenvalue decomposition, where the eigenvector gives the fundamental shape of vibration associated with an angular frequency (\(\omega \)) equal to the square root of the corresponding eigenvalue (e.g. [18]). As discussed in O’Sullivan and Bray [24] and Otsubo et al. [25], the particles in a DEM simulation are analogous to the nodes in a finite element model, while the contacts are roughly equivalent to the elements. This conceptual model of a granular material is used in implicit discrete element method formulations such as the particulate form of discontinuous deformation analysis (DDA) as outlined in [26,27,28]. For the 3-D analyses considered here, each particle has 3 translational degrees of freedom and 3 rotational degrees of freedom and so the diagonal mass matrix (M) includes the mass (m) and rotational inertia values for each particle.
The global stiffness matrix (K) can be created using the stiffness matrix assembly techniques described in [28] once the local contact stiffness matrix describing pairwise interaction of two particles is obtained. Here the local contact stiffness matrix was created using the data available in the DEM model once the inter-particle friction was set at \(\mu _{wave}\). The local contact stiffness matrix is a \(12\times 12\) element matrix; expressions for this matrix are given in [29] and the entries depend on the particle coordinates and contact stiffnesses. For the analyses presented here, the parameters required to construct the local stiffness matrix (particle coordinates, contact orientations and contact stiffnesses) were obtained from the DEM sample configurations following isotropic compression. For a sample composed of n particles, there are \(6\times n\) degrees of freedom; for the systems considered here (K) consisted of up to 211,206\(\times \)211,206 elements for the random samples. The contact stiffnesses between particles and boundaries were also included in K. The eigenvalue decomposition is achieved by solving:
$$\begin{aligned} \left( {\mathbf{K}-{\varvec{\omega }}^{\mathbf{2}}{} \mathbf{M}} \right) {\varvec{\upvarphi }}=0 \end{aligned}$$
(1)
where \({\varvec{\omega }}^{2}\) are the eigenvalues and \({\varvec{\upvarphi }}\) are the eigenvectors; each eigenvalue \(\omega _{i}^{2}\) is associated with a particular eigenvector \(\varphi _{i}\). The frequency of the ith mode is \(f_{i} = \omega _{i}/2\pi \). Here, built-in MATLAB functions (MathWorks, 2015) were used to obtain the eigenvalues and eigenvectors.
Previous researchers have used this approach to analyse the dynamic response of granular materials. Based on their 1-D chain model, Lawney and Luding [15] showed that the low-frequency eigenmodes are not affected by small random variations in particle mass. Somfai et al. [30] considered a 2-D configuration of disks, and linked eigenmodes to peaks observed in the received signal frequency spectrum. They also noted that the eigenmodes corresponding to the low non-zero eigenfrequencies have a similar vibration mode during wave propagation. Marketos and O’Sullivan [31] performed an eigenmode analysis for 2-D regular arrays and linked to a DEM simulation for the same packing. Application of eigenmode analysis to a 3-D packing is challenging, not just due to the increased number of degrees of freedom, but also because the eigenvector (mode) shapes are more complex.
The natural frequencies, \(f_{i}\), are plotted against the normalised mode number in Fig. 7a for the FCC sample and random dense and loose packings at 100 kPa (test cases 2, 6, 30); the corresponding density distributions are given in Fig. 7b. Figure 7a includes data for a FCC sample where the rotational degrees of freedom are ignored (FCC trans. only), this is discussed further below. Excluding consideration of FCC trans. only, the natural frequencies are distributed between 0.7534 and 211.2 kHz for the FCC sample and between 0 and 216.1 kHz, and 0 and 214.1 kHz for the random dense and loose samples, respectively. The very low frequency data (\(\approx \)0 kHz) are associated with the presence of rattler particles [30]. The density distribution indicates several peaks (local maxima) for the FCC packing which are not evident in the data for the random samples. Figure 8 illustrates the variation in the maximum eigenfrequency \((f_{i,max})\) with stress level for the three sample types, again data for the FCC sample where rotational degrees of freedom are suppressed are also included. The three samples exhibit similar values where the differences between them were <3% across the wide range of stresses between 10 kPa and 10 MPa. The maximum eigenfrequency relates to the element with the highest stiffness:mass ratio in the system [32], so that a lower mass gives a higher eigenfrequency. Following O’Sullivan and Bray [24], the mass of each particle is distributed to its contacts (which represent the elements) so when the contact density is higher, less mass is assigned to each contact. Assuming a uniform distribution of contact stiffness, the maximum value of the stiffness:mass ratio is therefore determined by the particle with the greatest number of contacts. While the random samples have average coordination numbers that are significantly lower than the FCC coordination number (\(C_{N,1kPa}=5.91\) and 3.84 in comparison with 12), in each case there are local regions of dense packing so that particles with contact numbers of 11–12 exist in all the random dense samples and contact numbers of 9–10 are locally found in the random loose samples. Even though only a few particles show these high contact numbers this explains the lack of sensitivity of the maximum eigenfrequency to the packing.
To find the fundamental eigenmodes associated with P-wave propagation, a correlation index \((\chi _{zi})\) was calculated for each mode, i:
$$\begin{aligned} \chi _{zi} =\frac{1}{n}\sum _{s=1}^n {\overline{u} _{zi,s}^2 } \end{aligned}$$
(2)
where \(\bar{{u}}_{{ zi,s}}= \hbox {Z}\) component of the normalised eigenvector for particle s. When \(\chi _{zi} = 1\) the displacement of all the particles is in the Z-direction (i.e. the eigenvectors have no X or Y components). Processing Eq. 2 for the full-set of eigenvectors is computationally expensive, and so for the analyses presented here a linear chain of particles connecting the source and receiver wall boundaries was considered. The index \(\chi _{zi}\) is plotted against \(f_{i}\) for both a FCC and a random sample at \(\sigma = 0.1~\hbox {MPa}\) in Fig. 9a. For the FCC packing, modes giving \(\chi _{zi} = 1\) were observed across the entire range of eigenfrequencies. For the random dense sample, modes with \(\chi _{zi} > 0.9\) are evident for \(f_{i} \le 10\,\hbox {kHz}\); however, the maximum \(\chi _{zi}\) value observed at a given frequency drops to about 0.33 for \(f_{i} >15\,\hbox {kHz}\), indicating arbitrary displacements occurring in any directions. For loose samples the maximum \(\chi _{zi}\) value observed tends to decrease below 0.9 at lower \(f_{i}\) values in comparison with the data on Fig. 9b, while at a higher stress the maximum \(\chi _{zi}\) values attained are higher (>0.9) and these high \(\chi _{zi}\) values are observed at higher \(f_{i}\) values than those illustrated on Fig. 9b.
Mode shapes associated with typical resonant frequencies are illustrated in Fig. 10 for the FCC and random packings. The boundary conditions in the Z-direction considered in this analysis are the fixed-wall boundaries used in the DEM simulations. Thus the wavelength \((\lambda _{r})\) and wave number \((\kappa _{r})\) for resonant mode r can be expressed as:
$$\begin{aligned} \lambda _r= & {} \frac{2L}{r} \end{aligned}$$
(3)
$$\begin{aligned} \kappa _r= & {} \frac{2\pi }{\lambda _r }=\frac{\pi }{L}r \end{aligned}$$
(4)
The agreement between the frequencies corresponding to peaks in \(\chi _{zi}\) values and resonant modes of the sample is confirmed in Fig. 10. In Fig. 10a–d the mode shapes (determined from the z-component of eigenvector) associated with the 1st, 2nd, 5th, 10th maxima of \(\chi _{zi}\) are shown; the wavelengths associated with these sinusoidal mode shapes agree with Eq. 3. The mode shapes illustrated in Fig. 10e, f also correspond with \(\chi _{zi} = 1\); however, referring to Figs. 7b and 9a, at these eigenfrequencies there are a larger number of eigenmodes present with very similar eigenfrequencies. Therefore the fundamental modes were identified both from the \(\chi _{zi}\) value and visual observation of the mode shapes. Thus the 1st mode of resonance (Fig. 10a) at 1.06 kHz gives a wave length \(\lambda = 2 L\), while the 200th mode of resonance (Fig. 10f) at 137.6 kHz gives \(\lambda =L/100\). At the 1st mode of resonant vibration, all the particles move in the same direction (\(\Delta \,\hbox {z}>0\)), while for the 200th mode neighbouring layers move in opposite directions; in all cases the horizontal (x, y) components of the eigenvectors were negligible. As shown in Fig. 9a, fundamental frequencies higher than 137.6 kHz exist for the FCC sample; however, these modes excite rotational components and the corresponding eigenvectors were more complex than the purely compressional modes with displacement restricted to be in the Z-(vertical) direction. For the random packing the modes are more easily identifiable by simply considering the maxima of \(\chi _{zi}\) in Fig. 9b. Referring to Fig. 10g–k the lowest resonant modes were clearly identifiable just as in the case of FCC packing and in agreement with the observations of Somfai et al. [30]. As \(f_{i}\) increases and \(\chi _{zi}\) decreases, the resonant eigenvectors identified do not have a clean sinusoidal shape. For the random samples the rattler particles are not involved in any mode of vibration. The combinations of \(f_{r}\) and \(\kappa _{r}\) obtained for the first 10 resonant modes for all the packings considered at \(\sigma = 0.1~\hbox {MPa}\) are tabulated in Table 2.
Table 2 Resonant frequency \((f_{r})\) and corresponding wavenumber \((\kappa _{r})\) for various void ratio at \(\sigma = 100\,\hbox {kPa}\)
A comparison of data from the eigenmode analysis with the DEM wave propagation simulation serves to verify the ability of the DEM model to correctly give data on the system’s elastic properties. Using the measurements of stress recorded at the source and receiver walls, and applying frequency domain analyses [9] the group and phase velocities were found at \(\sigma = 0.1~\hbox {MPa}\) as given in Fig. 11a, b for the FCC and random dense samples, respectively. Note that the inserted signal contains a range of frequencies and the phase velocity, \(V_{phase}\), is the velocity of a particular component. The group velocity, \(V_{group}\), is the velocity with which the overall waveform propagates through the sample. While there are some fluctuations in the data for the random sample, in both cases the group and phase velocities approach each other at low frequencies, as expected. These velocities are also similar to the \(V_{P}\) based on direct measurements (dL / dt) as listed in Table 1. The group and phase velocities were also directly calculated from the eigenmode data as \(V_{group} =\frac{d\omega }{d\kappa }\) and \(V_{phase} =\frac{\omega }{\kappa }\), where \(\omega (=\! 2\pi f\)) and \(\kappa \) are the angular frequency and wave number for the fundamental modes, respectively; these can be derived from the data in Table 2. This analysis of the eigenmode data is plotted in Fig. 11c, d, and for the initial (low frequency) modes considered, the group and phase velocity data calculated using both methods agree and they agree with \(V_{p,dL/dt}\). Note that [16] considered alternative methods of interpreting the DEM dataset in the time and frequency domain and obtained a good match between the shear wave velocity values obtained from direct measurement (dL/dt), the peak-to-peak method, the approach given in [9], and 2-D dispersion. The direct comparison with the eigenmode analysis presented here further increases confidence in the use of simple interpretation of the received signal to infer elastic properties for these systems.