Search arXivSearch

arXiv · 1406.0147

Diffusivities and kinetics of short-range and long-range orderings in Ni-Fe permalloys

Abstract

The microscopic model of atomic diffusion is considered to describe the short-range order relaxation kinetics within the f.c.c.-Ni-Fe Permalloys. The model takes into account both the discrete and anisotropic characters of atomic jumps within the long-range field of concentration heterogeneities of the interacting atoms. The diffusion coefficients and activation energies for the disordered Ni-Fe permalloy are estimated with the evaluated probabilities of atomic jumps. As shown, the increasing of a temperature with a fixed composition influences on the 'potential' field of interatomic interaction ambiguously: the field 'potential' increases for defined coordination shells and decreases for some of other ones. Although the temperature increasing promotes the increasing of any atomic-probabilities jumps generally, but decreasing of the action of 'potential' field generated by the atoms of defined element and caused by its concentration heterogeneities onto the distant sites results in increasing of the atomic-jumps' probabilities of just this element, first of all, into the sites, which are more distant from the 'source' of heterogeneity. Within the framework of the static concentration waves' method along with the self-consistent field approximation, the Onsager-type kinetics equation is obtained to describe the long-range order relaxation by the L12-type superstructure. To calculate diffusivities for the ordered Ni3Fe permalloy, the independent, diffraction experimental data of the long-range order parameter relaxation are used. Theoretical curves of the long-range order time evolution for the non-stoichiometric f.c.c.-Ni-Fe permalloys are plotted. Decreasing of the concentration of alloying element results in decelerating of the long-range order parameter change and in increasing of its relaxation time.

Explore related subjects

Keep this discovery

BibTeXRIS

T. M. Radchenko, V. A. Tatarenko, S. M. Bokoch. 2014-06-01. Diffusivities and kinetics of short-range and long-range orderings in Ni-Fe permalloys. https://arxiv.org/abs/1406.0147

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Measuring chiral phonons

Chiral phonons are quantized vibrations where the atomic motion in a solid breaks improper rotation symmetries. In many cases, chiral phonons possess angular momenta and are therefore selective to circularly polarized light. Both fundamental and applied research efforts on chiral phonons have been gaining increasing attention owing to their importance in a variety of fields including spintronics, spin-selective chemical reactions, thermal transport, quantum information processing and biosensing, where the bi-directional spin-lattice coupling enabled by chiral phonons can be harnessed in new ways, and potentially lead to new functionalities. Thus far, the studies of chiral phonons across diverse materials platforms have evolved largely independently within these fields, but the experimental techniques are often interrelated. In this perspective, we present a detailed description, as well as advantages and disadvantages of the current approaches for experimentally measuring chiral phonons in chiral and achiral materials. We conclude with a discussion of new methods for measuring chiral phonons. Ultimately, this work seeks to offer an experimental guide for systematically investigating the properties of chiral phonons in various materials systems and applications.

cond-mat.mtrl-sci

A model of grain growth in UN integrating molecular dynamics, phase-field modeling, and uncertainty quantification

Grain growth kinetics and grain-boundary (GB) properties in uranium mononitride (UN) are investigated through an integrated multiscale framework combining molecular dynamics (MD), phase-field modeling, and surrogate-assisted uncertainty quantification. MD simulations yield GB energies for 27 symmetric tilt boundaries from 0--2000~K, which are consistent with available DFT values. The average GB energy is nearly temperature-independent below 1000~K and increases at higher temperatures. A mechanistic pore-drag model applied to the only available grain growth dataset for actinide nitrides yields a mobility reduction factor of $s \approx 0.93$--$0.99$, statistically indistinguishable from unity, confirming that pore drag is negligible under the experimental conditions. The intrinsic GB mobility is therefore extracted directly from the effective mobility, yielding $M_0 = 2.05\times10^{-15}$~m$^4$/(J$\cdot$s) and $Q_M = 0.89$~eV. Phase-field simulations conducted from 1500--2000~K confirm normal curvature-driven grain growth, with grain size distributions converging to the Hillert-like form. A surrogate-assisted global sensitivity analysis---combining principal component analysis, Gaussian process regression, and Sobol decomposition---reveals that the mobility prefactor $M_0$ dominates output variance at all times, followed by the activation energy $Q_M$, while the GB energy $\gamma$ contributes minimally. These results establish the first quantitative grain growth framework for UN and identify the reduction of uncertainty in $M_0$ and $Q_M$ as the highest-priority target for future experimental efforts.

cond-mat.mtrl-sci

Silicon Solar Cell Design for >30% Efficiency via Singlet Fission

Singlet fission (SF) materials convert high-energy photons into multiple charge carriers, providing a route to exceed the efficiency limits of single-junction silicon solar cells without many of the complexities of multi-junction tandem designs. Following the first demonstration of an SF-enhanced silicon solar cell in 2025, there is a need to understand how SF materials can be effectively integrated into high-efficiency industrial silicon devices and translated from proof of concept to a manufacturable technology. Using coupled optical and electrical simulations, we assess the efficiency potential of several industrially relevant silicon cell architectures combined with SF materials. Interdigitated back-contact (IBC) cells offer the greatest potential for improvement due to unrestricted front-surface access and can achieve efficiencies exceeding 33%. However, performance is highly sensitive to front-surface passivation quality. Appropriate silicon design, particularly controlled surface doping and fixed interfacial charge, can mitigate recombination losses and relax passivation requirements for ultra-thin exciton-transfer layers.

cond-mat.mtrl-sci