Atomistic study on the pressure dependence of the melting point of NdFe12

We investigated, using molecular dynamics, how pressure affects the melting point of the recently theorised and epitaxially grown structure NdFe12. We modified Morse potentials using experimental constants and a genetic algorithm code, before running two-phase solid-liquid coexistence simulations of NdFe12 at various temperatures and pressures. The refitting of the Morse potentials allowed us to significantly improve the accuracy in predicting the melting temperature of the constituent elements

Models of advanced recording systems: A multi-timescale micromagnetic code for granular thin film magnetic recording systems.

Micromagnetic modelling provides the ability to simulate large magnetic systems reliably without the computational cost limitation imposed by atomistic modelling. Through micromagnetic modelling it is possible to simulate systems consisting of thousands of grains over a time range of nanoseconds to years, depending upon the solver used. Here we present the creation and release of an open-source multi-timescale micromagnetic code combining three key solvers: Landau-Lifshitz-Gilbert; Landau-Lifshitz-Bloch; Kinetic Monte Carlo. This code, called MARS (Models of Advanced Recording Systems), is capable of accurately simulating the magnetisation dynamics in large and structurally complex single- and multi-layered granular systems as is shown by comparison to established atomistic simulation results. The short timescale simulations are achieved for systems far from and close to the Curie point via the implemented Landau-Lifshitz-Gilbert and Landau-Lifshitz-Bloch solvers respectively. This enables read/write simulations for general perpendicular magnetic recording and also state of the art heat assisted magnetic recording (HAMR). The long timescale behaviour is simulated via the Kinetic Monte Carlo solver, enabling investigations into signal-to-noise ratio and data longevity. The combination of these solvers opens up the possibility of multi-timescale simulations within a single software package. For example the entire HAMR process from initial data writing and data read back to long term data storage is possible via a single simulation using MARS. The use of atomistic parameterisation for the material input of MARS enables highly accurate material descriptions which provide a bridge between atomistic simulation and real world experimentation. Thus MARS is capable of performing simulations for all aspects of recording media research and development. This ranges from material characterisation and optimisation to system design and implementation. The object orientated nature of MARS is structured to facilitate quick and simple development and easy implementation of user defined custom simulation types which can utilise either timescale or a combination of both timescales. Program summary: Program title: MARS CPC Library link to program files: https://doi.org/10.17632/8mx7cndcdx.1 Developer's repository link: https://bitbucket.org/EwanRannala/mars/ Code Ocean capsule: https://codeocean.com/capsule/2549929 Licensing provisions: MIT Programming language: C++ Supplementary material: MARS testing methodology (PDF), HAMR simulation example video. Nature of problem: A combined model that enables the complete modelling of magnetic recording processes at elevated temperatures covering all time scales from writing (nanoseconds) up to long term data storage (years). The model must also accurately describe the granular nature of the recording media as grain sizes are reduced to a few nanometres. Solution method: Short timescale behaviours are captured via the Landau-Lifshitz-Gilbert and Landau-Lifshitz-Bloch solvers for low and high temperature systems respectively. The long time scale behaviours are captured via a kinetic Monte Carlo solver. To enable complex models which account for mixed timescale behaviours the solvers are implemented as a single class structure which allows for dynamic solver selection. The granular structure is generated via a Laguerre-Voronoi tessellation with a custom implemented packing algorithm to produce highly realistic grain size distributions. Complex thermal dependencies of materials can be incorporated via atomistic parameterisation forming a multi-timescale model of the material

Beyond the blocking model to fit nanoparticle ZFC/FC magnetisation curves

We consider the probability of a magnetic nanoparticle to flip its magnetisation near the blocking temperature, and use this to develop quasi-analytic expressions for the zero-field-cooled and field-cooled magnetisation, which go beyond the usual critical energy barrier approach to the superparamagnetic transition. The particles in the assembly are assumed to have random alignment of easy axes, and to not interact. We consider all particles to be of the same size and then extend the theory to treat polydisperse systems of particles. In particular, we find that the mode blocking temperature is at a lower temperature than the peak in the zero-field-cooled magnetisation versus temperature curve, in agreement with experiment and previous rate-equation simulations, but in contrast to the assumption many researchers use to analyse experimental data. We show that the quasi-analytic expressions agree with Monte Carlo simulation results but have the advantage of being very quick to use to fit data. We also give an example of fitting experimental data and extracting the anisotropy energy density K

High energy product in Battenberg structured magnets

PublishedJournal Article© 2014 AIP Publishing LLC. Multiphase nano-structured permanent magnets show a high thermal stability of remanence and a high energy product while the amount of rare-earth elements is reduced. Non-zero temperature micromagnetic simulations show that a temperature coefficient of remanence of -0.073%/K and that an energy product greater than 400 kJ/m3 can be achieved at a temperature of 450 K in a magnet containing around 40 volume percent Fe65Co35 embedded in a hard magnetic matrix

A Versatile Route for the Synthesis of Nickel Oxide Nanostructures Without Organics at Low Temperature

Nickel oxide nanoparticles and nanoflowers have been synthesized by a soft reaction of nickel powder and water without organics at 100 °C. The mechanism for the formation of nanostructures is briefly described in accordance with decomposition of metal with water giving out hydrogen. The structure, morphology, and the crystalline phase of resulting nanostructures have been characterized by various techniques. Compared with other methods, the present method is simple, fast, economical, template-free, and without organics. In addition, the approach is nontoxic without producing hazardous waste and could be expanded to provide a general and convenient strategy for the synthesis of nanostructures to other functional nanomaterials

Emergent dynamic chirality in a thermally driven artificial spin ratchet

Modern nanofabrication techniques have opened the possibility to create novel functional materials, whose properties transcend those of their constituent elements. In particular, tuning the magnetostatic interactions in geometrically frustrated arrangements of nanoelements called artificial spin ice1, 2 can lead to specific collective behaviour3, including emergent magnetic monopoles4, 5, charge screening6, 7 and transport8, 9, as well as magnonic response10, 11, 12. Here, we demonstrate a spin-ice-based active material in which energy is converted into unidirectional dynamics. Using X-ray photoemission electron microscopy we show that the collective rotation of the average magnetization proceeds in a unique sense during thermal relaxation. Our simulations demonstrate that this emergent chiral behaviour is driven by the topology of the magnetostatic field at the edges of the nanomagnet array, resulting in an asymmetric energy landscape. In addition, a bias field can be used to modify the sense of rotation of the average magnetization. This opens the possibility of implementing a magnetic Brownian ratchet13, 14, which may find applications in novel nanoscale devices, such as magnetic nanomotors, actuators, sensors or memory cells

Magnetic Anisotropic Energy Gap and Strain Effect in Au Nanoparticles

We report on the observation of the size effect of thermal magnetization in Au nanoparticles. The thermal deviation of the saturation magnetization departs substantially from that predicted by the Bloch T3/2-law, indicating the existence of magnetic anisotropic energy. The results may be understood using the uniaxial anisotropy Heisenberg model, in which the surface atoms give rise to polarized moments while the magnetic anisotropic energy decreases as the size of the Au nanoparticles is reduced. There is a significant maximum magnetic anisotropic energy found for the 6 nm Au nanoparticles, which is associated with the deviation of the lattice constant due to magnetocrystalline anisotropy

Magnetism, FeS colloids, and Origins of Life

A number of features of living systems: reversible interactions and weak bonds underlying motor-dynamics; gel-sol transitions; cellular connected fractal organization; asymmetry in interactions and organization; quantum coherent phenomena; to name some, can have a natural accounting via $physical$ interactions, which we therefore seek to incorporate by expanding the horizons of `chemistry-only' approaches to the origins of life. It is suggested that the magnetic 'face' of the minerals from the inorganic world, recognized to have played a pivotal role in initiating Life, may throw light on some of these issues. A magnetic environment in the form of rocks in the Hadean Ocean could have enabled the accretion and therefore an ordered confinement of super-paramagnetic colloids within a structured phase. A moderate H-field can help magnetic nano-particles to not only overcome thermal fluctuations but also harness them. Such controlled dynamics brings in the possibility of accessing quantum effects, which together with frustrations in magnetic ordering and hysteresis (a natural mechanism for a primitive memory) could throw light on the birth of biological information which, as Abel argues, requires a combination of order and complexity. This scenario gains strength from observations of scale-free framboidal forms of the greigite mineral, with a magnetic basis of assembly. And greigite's metabolic potential plays a key role in the mound scenario of Russell and coworkers-an expansion of which is suggested for including magnetism.Comment: 42 pages, 5 figures, to be published in A.R. Memorial volume, Ed Krishnaswami Alladi, Springer 201

Synthesis and Magnetic Properties of Maghemite (γ-Fe2O3) Short-Nanotubes

We report a rational synthesis of maghemite (γ-Fe2O3) short-nanotubes (SNTs) by a convenient hydrothermal method and subsequent annealing process. The structure, shape, and magnetic properties of the SNTs were investigated. Room-temperature and low-temperature magnetic measurements show that the as-fabricated γ-Fe2O3 SNTs are ferromagnetic, and its coercivity is nonzero when the temperature above blocking temperature (TB). The hysteresis loop was operated to show that the magnetic properties of γ-Fe2O3 SNTs are strongly influenced by the morphology of the crystal. The unique magnetic behaviors were interpreted by the competition of the demagnetization energy of quasi-one-dimensional nanostructures and the magnetocrystalline anisotropy energy of particles in SNTs