Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

In this chapter, we will restrict our attention to the ferrites and a few other closely related materials. The great interest in ferrites stems from their unique combination of a spontaneous magnetization and a high electrical resistivity. The observed magnetization results from the difference in the magnetizations of two non-equivalent sub-lattices of the magnetic ions in the crystal structure. Materials of this type should strictly be designated as “ferrimagnetic” and in some respects are more closely related to anti-ferromagnetic substances than they are to ferromagnetics in which the magnetization results from the parallel alignment of all the magnetic moments present. We shall not adhere to this special nomenclature except to emphasize effects, which are due to the existence of the sub-lattices.

Ferromagnetic materials

This article reviews static and dynamic interfacial effects in magnetism, focusing on interfacially-driven magnetic effects and phenomena associated with spin-orbit coupling and intrinsic symmetry breaking at interfaces. It provides a historical background and literature survey, but focuses on recent progress, identifying the most exciting new scientific results and pointing to promising future research directions. It starts with an introduction and overview of how basic magnetic properties are affected by interfaces, then turns to a discussion of charge and spin transport through and near interfaces and how these can be used to control the properties of the magnetic layer. Important concepts include spin accumulation, spin currents, spin transfer torque, and spin pumping. An overview is provided to the current state of knowledge and existing review literature on interfacial effects such as exchange bias, exchange spring magnets, spin Hall effect, oxide heterostructures, and topological insulators. The article highlights recent discoveries of interface-induced magnetism and non-collinear spin textures, non-linear dynamics including spin torque transfer and magnetization reversal induced by interfaces, and interfacial effects in ultrafast magnetization processes.

https://link.aps.org/accepted/10.1103/RevModPhys.89.025006

Interface-induced phenomena in magnetism

Atomistic modelling of magnetic materials provides unprecedented detail about the underlying physical processes that govern their macroscopic properties, and allows the simulation of complex effects such as surface anisotropy, ultrafast laser-induced spin dynamics, exchange bias, and microstructural effects. Here we present the key methods used in atomistic spin models which are then applied to a range of magnetic problems. We detail the parallelization strategies used which enable the routine simulation of extended systems with full atomistic resolution.

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Atomistic spin model simulations of magnetic nanomaterials.

The discovery of the spin-torque effect has made magnetic nanodevices realistic candidates for active elements of memory devices and applications. Magnetoresistive effects allow the read-out of increasingly small magnetic bits, and the spin torque provides an efficient tool to manipulate - precisely, rapidly and at low energy cost - the magnetic state, which is in turn the central information medium of spintronic devices. By keeping the same magnetic stack, but by tuning a device's shape and bias conditions, the spin torque can be engineered to build a variety of advanced magnetic nanodevices. Here we show that by assembling these nanodevices as building blocks with different functionalities, novel types of computing architecture can be envisaged. We focus in particular on recent concepts such as magnonics and spintronic neural networks.

Spin-torque building blocks

A novel type of exchange spring media is proposed for magnetic recording systems consisting of a hard/soft bilayer. Finite element micromagnetic simulations show that the reversal modes induced by the external write field are significantly different from the thermally activated switching processes. Thus, the bilayers can be optimized in order to achieve a high thermal stability without increase of coercive field. In grains with identical size and coercivity an optimized bilayer reaches an energy barrier exceeding those of optimized single phase media by more than a factor of two. Additionally the lower angular dependence of coercivity of exchange spring media will improve the signal to noise ratio.

Exchange spring media for perpendicular recording

We present experimental evidence of subgigahertz spin-transfer oscillations in metallic nanocontacts that are due to the translational motion of a magnetic vortex. The vortex is shown to execute large-amplitude orbital motion outside the contact region. Good agreement with analytical theory and micromagnetics simulations is found.

/pdf/current-driven-vortex-oscillations-in-metallic-nanocontacts-21n2otwtgw.pdf

Current-Driven Vortex Oscillations in Metallic Nanocontacts

Understanding the microstructure and coercivity of high performance NdFeB-based magnets

Exchange spring recording media for areal densities up to 10 Tbit/in2

We present numerical evidence from atomistic calculations that the coercivity of high-performance NdFeB-sintered-magnets (<20% of the theoretical Stoner–Wolfarth-limit) can be explained by a distorted region of Nd2Fe14B at grain boundaries, which has a reduced local magnetic anisotropy. We show that depending on the boundary composition of fcc-NdO and hcp-Nd2O3, the thickness of this region of reduced anisotropy varies between 0.4 for fcc and 1.6 nm for the hcp phase. For NdO, the distortions are mostly confined in the fcc-NdO-phase but equally distributes in both the hcp-Nd2O3 and Nd2Fe14B. The experimentally measured coercivity of 1.25 T can be understood when taking this distortion and magnetostatic effects into account.

Gino Hrkac

Papers

Exchange spring media for perpendicular recording

Current-Driven Vortex Oscillations in Metallic Nanocontacts

Understanding the microstructure and coercivity of high performance NdFeB-based magnets

Exchange spring recording media for areal densities up to 10 Tbit/in2

The role of local anisotropy profiles at grain boundaries on the coercivity of Nd2Fe14B magnets