Micromagnetic modelling of imperfect crystals

In paleomagnetism, practical measurements are rarely made using perfect, isolated, single-phase, ferromagnetic crystals. Experimental observations are typically made using magnetic materials formed by a variety of natural processes. In this thesis, we will look at bridging the gap between current numerical modelling capability and experimental observations. First, we work towards micromagnetic modelling of multi-phase magnetic materials, including magnetostriction, embedded in a rocky matrix, along with crystal defects. We present a derivation of the Boundary Element Method formulation used by the micromagnetics package, MERRILL, and provide an extension of this from single-phase materials to multi-phase. After discussing issues with previous approaches to modelling magnetostriction, we derive and present a more robust and flexible approach. This model of magnetostriction is suitable for non-uniformmagnetizations, for multi-phase materials, and for arbitrary boundary conditions, and can be incorporated into MERRILL.We then outline a method for extending our model to materials embedded in an infinite elastic matrix of arbitrary elasticity. Finally, we present a method for modelling the magnetic response of a material due to crystal defects, along with a concrete example of a magneto-dislocation coupling energy at a magnetite-ilmenite boundary where stress due to lattice misfit is eased by regular edge dislocations. Second, we work towards being able to verify micromagnetic models against nano-scale experimental data. To do this, we present two techniques for simulating electron holograms from micromagnetic modelling results, a technique capable of imaging magnetic structures at the nano-scale. We also present example electron holograms of commonly occurring magnetic structures in nano-scale rock and mineral magnetism, and highlight some distinguishing features, which may be useful for interpreting experimental electron holography data

Magnetic vortex effects on first-order reversal curve (FORC) diagrams for greigite dispersions

First-order reversal curve (FORC) diagrams are used increasingly in geophysics for magnetic domain state identification. The domain state of a magnetic particle is highly sensitive to particle size, about which FORC diagrams provide valuable information. However, the FORC signal of particles with nonuniform magnetisations, which are the main carrier of natural remanent magnetisations in many systems, is still poorly understood. In this study, the properties of non-interacting, randomly oriented dispersions of greigite (Fe3S4) in the uniform single-domain (SD) to non-uniform single-vortex (SV) size range are investigated via micromagnetic calculations. Signals for SD particles () are found to be in excellent agreement with previous SD coherent-rotation studies. A transitional range from to is identified for which a mixture of SD and SV behaviour produces complex FORC diagrams. Particles have purely SV behaviour with the remanent state for all particles in the ensemble in the SV state. It is found that for SV ensembles the FORC diagram provides a map of vortex nucleation and annihilation fields and that the FORC distribution peak should not be interpreted as the coercivity of the sample, but as a vortex annihilation field on the path to saturation

Direct observation of the thermal demagnetization of magnetic vortex structures in non-ideal magnetite recorders

The thermal demagnetization of pseudo-single-domain (PSD) magnetite (Fe3O4) particles, which govern the magnetic signal in many igneous rocks, is examined using off-axis electron holography. Visualization of a vortex structure held by an individual Fe3O4 particle (~ 250 nm in diameter) during in situ heating is achieved through the construction and examination of magnetic-induction maps. Step-wise demagnetization of the remanence-induced Fe3O4 particle upon heating to above the Curie temperature, performed in a similar fashion to bulk thermal demagnetization measurements, revealed its vortex state remains stable under heating close to its unblocking temperature, and is recovered upon cooling with the same or reversed vorticity. Hence, the PSD Fe3O4 particle exhibits thermomagnetic behavior comparable to a single-domain carrier, and thus vortex-states are considered reliable magnetic recorders for paleomagnetic investigations

Stability of equidimensional pseudo-single-domain magnetite over billion-year timescales

Interpretations of paleomagnetic observations assume that naturally occurring magnetic particles can retain their primary magnetic recording over billions of years. The ability to retain a magnetic recording is inferred from laboratory measurements, where heating causes demagnetization on the order of seconds. The theoretical basis for this inference comes from previous models that assume only the existence of small, uniformly magnetized particles, whereas the carriers of paleomagnetic signals in rocks are usually larger, nonuniformly magnetized particles, for which there is no empirically complete, thermally activated model. This study has developed a thermally activated numerical micromagnetic model that can quantitatively determine the energy barriers between stable states in nonuniform magnetic particles on geological timescales. We examine in detail the thermal stability characteristics of equidimensional cuboctahedral magnetite and find that, contrary to previously published theories, such nonuniformly magnetized particles provide greater magnetic stability than their uniformly magnetized counterparts. Hence, nonuniformly magnetized grains, which are commonly the main remanence carrier in meteorites and rocks, can record and retain high-fidelity magnetic recordings over billions of years

ExSeisDat: A set of parallel I/O and workflow libraries for petroleum seismology

Seismic data-sets are extremely large and are broken into data files, ranging in size from 100s of GiBs to 10s of TiBs and larger. The parallel I/O for these files is complex due to the amount of data along with varied and multiple access patterns within individual files. Properties of legacy file formats, such as the de-facto standard SEG-Y, also contribute to the decrease in developer productivity while working with these files. SEG-Y files embed their own internal layout which could lead to conflict with traditional, file-system-level layout optimization schemes. Additionally, as seismic files continue to increase in size, memory bottlenecks will be exacerbated, resulting in the need for smart I/O optimization not only to increase the efficiency of read/writes, but to manage memory usage as well. The ExSeisDat (Extreme-Scale Seismic Data) set of libraries addresses these problems through the development and implementation of easy to use, object oriented libraries that are portable and open source with bindings available in multiple languages. The lower level parallel I/O library, ExSeisPIOL (Extreme-Scale Seismic Parallel I/O Library), targets SEG-Y and other proprietary formats, simplifying I/O by internally interfacing MPI-I/O and other I/O interfaces. The I/O is explicitly handled; end users only need to define the memory limits, decomposition of I/O across processes, and data access patterns when reading and writing data. ExSeisPIOL bridges the layout gap between the SEG-Y file structure and file system organization. The higher level parallel seismic workflow library, ExSeisFlow (Extreme-Scale Seismic workFlow), leverages ExSeisPIOL, further simplifying I/O by implicitly handling all I/O parameters, thus allowing geophysicists to focus on domain-specific development. Operations in ExSeisFlow focus on prestack processing and can be performed on single traces, individual gathers, and across entire surveys, including out of core sorting, binning, filtering, and transforming. To optimize memory management, the workflow only reads in data pertinent to the operations being performed instead of an entire file. A smart caching system manages the read data, discarding it when no longer needed in the workflow. As the libraries are optimized to handle spatial and temporal locality, they are a natural fit to burst buffer technologies, particularly DDN’s Infinite Memory Engine (IME) system. With appropriate access semantics or through the direct exploitation of the low-level interfaces, the ExSeisDat stack on IME delivers a significant improvement to I/O performance over standalone parallel file systems like Lustre

ExSeisDat: A set of parallel I/O and workflow libraries for petroleum seismology

Seismic data-sets are extremely large and are broken into data files, ranging in size from 100s of GiBs to 10s of TiBs and larger. The parallel I/O for these files is complex due to the amount of data along with varied and multiple access patterns within individual files. Properties of legacy file formats, such as the de-facto standard SEG-Y, also contribute to the decrease in developer productivity while working with these files. SEG-Y files embed their own internal layout which could lead to conflict with traditional, file-system-level layout optimization schemes. Additionally, as seismic files continue to increase in size, memory bottlenecks will be exacerbated, resulting in the need for smart I/O optimization not only to increase the efficiency of read/writes, but to manage memory usage as well. The ExSeisDat (Extreme-Scale Seismic Data) set of libraries addresses these problems through the development and implementation of easy to use, object oriented libraries that are portable and open source with bindings available in multiple languages. The lower level parallel I/O library, ExSeisPIOL (Extreme-Scale Seismic Parallel I/O Library), targets SEG-Y and other proprietary formats, simplifying I/O by internally interfacing MPI-I/O and other I/O interfaces. The I/O is explicitly handled; end users only need to define the memory limits, decomposition of I/O across processes, and data access patterns when reading and writing data. ExSeisPIOL bridges the layout gap between the SEG-Y file structure and file system organization. The higher level parallel seismic workflow library, ExSeisFlow (Extreme-Scale Seismic workFlow), leverages ExSeisPIOL, further simplifying I/O by implicitly handling all I/O parameters, thus allowing geophysicists to focus on domain-specific development. Operations in ExSeisFlow focus on prestack processing and can be performed on single traces, individual gathers, and across entire surveys, including out of core sorting, binning, filtering, and transforming. To optimize memory management, the workflow only reads in data pertinent to the operations being performed instead of an entire file. A smart caching system manages the read data, discarding it when no longer needed in the workflow. As the libraries are optimized to handle spatial and temporal locality, they are a natural fit to burst buffer technologies, particularly DDN’s Infinite Memory Engine (IME) system. With appropriate access semantics or through the direct exploitation of the low-level interfaces, the ExSeisDat stack on IME delivers a significant improvement to I/O performance over standalone parallel file systems like Lustre