arXiv subjects

R. S. Edwards

Publications and source records attributed to R. S. Edwards.

8 recordsLinked to original sources

arXiv2026

Deep learning-based phase-field modelling of brittle fracture in anisotropic media

This work presents a variational physics-informed deep learning framework for phase-field modelling of brittle crack propagation in anisotropic media. Previous Deep Ritz Method (DRM) approaches have focused on second-order, isotropic phase-field fracture formulations. In contrast, the present work introduces, for the first time within a variational deep learning setting, a family of higher-order anisotropic phase-field models through a generalised crack density functional. The resulting fracture problem is solved by minimising the total energy using the DRM. The trial space is enriched with higher-order B-spline basis functions to represent higher-order gradients accurately and stably, thereby eliminating the need for conventional automatic differentiation. The methodology is assessed for isotropic, cubic, and orthotropic fracture surface energy densities. Numerical examples demonstrate direction-dependent crack growth in anisotropic cases, highlighting the capability of the method to accurately capture this behaviour.

physics.comp-ph↗

arXiv2004

Discrete easy-axis tilting in Mn12-acetate, as determined by EPR: implications for the magnetic quantum tunneling mechanism

The variation with microwave frequency and temperature of previously reported anomalous peaks in the EPR spectra of Mn12-acetate, under large transverse fields, reveals that the molecular easy magnetization axes are tilted with respect to the global symmetry direction. More importantly, on the basis of the angle-dependence of fine structures observed in the EPR spectra we infer that the tilt distribution must be discrete, as was previously suspected from studies which demonstrated the presence of a locally varying rhombic anisotropy [S. Hill et al., Phys. Rev. Lett. 90, 217204 (2003)]. The tilts are confined to two orthogonal planes, and the distribution extends up to ~1.7 degrees away from the the global easy (z-) axis. We ascribe the tilting to the hydrogen-bonding effect associated with the disordered acetic acid solvent molecules. The effect is considerably larger than deduced from x-ray diffraction analyses. These data constitute the sought-after evidence for the presence of transverse fields in Mn12-acetate, and provide a possible explanation for the lack of selection rules in the resonant quantum tunneling behavior seen in low-temperature hysteresis experiments for this S = 10 system.

cond-mat.mes-hall↗

arXiv2003

Quantum Coherence in an Exchange-Coupled Dimer of Single-Molecule Magnets

A multi-high-frequency electron paramagnetic resonance method is used to probe the magnetic excitations of a dimer of single-molecule magnets. The measured spectra display well resolved quantum transitions involving coherent superposition states of both molecules. The behavior may be understood in terms of an isotropic superexchange coupling between pairs of single-molecule magnets, in analogy with several recently proposed quantum devices based on artificially fabricated quantum dots or clusters. These findings highlight the potential utility of supramolecular chemistry in the design of future quantum devices based on molecular nanomagnets.

cond-mat.mes-hall↗

arXiv2003

Characterization of the S = 9 excited state in Fe8Br8 by Electron Paramagnetic Resonance

High Frequency electron paramagnetic resonance has been used to observe the magnetic dipole, $Δ$ M$_s$ = $\pm$ 1, transitions in the $S = 9$ excited state of the single molecule magnet Fe$_8$Br$_8$. A Boltzmann analysis of the measured intensities locates it at 24 $\pm$ 2 K above the $S = 10$ ground state, while the line positions yield its magnetic parameters D = -0.27 K, E = $\pm$0.05 K, and B$_4^0$ = -1.3$\times$ 10$^{-6}$ K. D is thus smaller by 8% and E larger by 7% than for $S = 10$. The anisotropy barrier for $S = 9$ is estimated as 22 K,which is 25% smaller than that for $S = 10$ (29 K). These data also help assign the spin exchange constants(J's) and thus provide a basis for improved electronic structure calculations of Fe$_8$Br$_8$.

cond-mat.str-el↗

arXiv2003

Definitive spectroscopic determination of the transverse interactions responsible for the magnetic quantum tunneling in Mn12-acetate

We present detailed angle-dependent single crystal electron paramagnetic resonance (EPR) data for field rotations in the hard plane of the S=10 single molecule magnet Mn12-acetate. A clear four-fold variation in the resonance positions may be attributed to an intrinsic fourth order transverse anisotropy (O44). Meanwhile, a four-fold variation of the EPR lineshapes confirms a recently proposed model wherein disorder associated with the acetic acid of crystallization induces a locally varying quadratic (rhombic) transverse anisotropy (O22). These findings explain most aspects of the magnetic quantum tunneling observed in Mn12-acetate.

cond-mat.mtrl-sci↗

arXiv2003

Evidence for a very low-lying S = 9 excited state of the S = 10 single molecule magnet Mn12-acetate

We present a detailed investigation of the temperature and frequency dependence of the anomalous EPR transitions first observed in Mn12-acetate by Hill et al. [Phys. Rev. Lett. 80, 2453 (1998)]. The most dominant of these transitions manifest themselves as an extra series of EPR absorption peaks for spectra obtained with the DC field applied within the hard magnetic plane of a single crystal sample. Recent studies by Amigo et al. [Phys. Rev. B 65, 172403 (2002)] have attributed these extra peaks to a strain induced transverse quadratic anisotropy which gives rise to distinct Mn12-acetate species, each having a distinct EPR spectrum; on the basis of these measurements, it has been suggested that this transverse anisotropy is responsible for the tunneling in Mn12-acetate. Our temperature and frequency dependent measurements demonstrate unambiguously that these anomalous EPR absorptions vanish as the temperature tends to zero, thereby indicating that they correspond to transitions from an excited state of the molecule. We argue that this low lying excited state corresponds to an S = 9 multiplet having very similar zero-field crystal parameters to the S = 10 state, and lying only about 10-15 k_B above the S = 10 (M_S = +/-9) ground state. These findings also compare favorably with available neutron scattering data.

cond-mat.mtrl-sci↗

arXiv2002

Comparison of the Fermi-surface topologies of kappa-(BEDT-TTF)_2 Cu(NCS)_2 and its deuterated analogue

We have measured details of the quasi one-dimensional Fermi-surface sections in the organic superconductor kappa-(BEDT-TTF)_2 Cu(NCS)_2 and its deuterated analogue using angle-dependent millimetre-wave techniques. There are significant differences in the corrugations of the Fermi surfaces in the deuterated and undeuterated salts. We suggest that this is important in understanding the inverse isotope effect, where the superconducting transition temperature rises on deuteration. The data support models for superconductivity which invoke electron-electron interactions depending on the topological properties of the Fermi surface.

cond-mat.str-el↗

arXiv2001

Cyclotron resonance harmonics in the organic superconductor $β^{\prime\prime}$-(BEDT-TTF)$_2$SF$_5$CH$_2$CF$_2$SO$_3$; observation of a new kind of effective mass renormalization

Cyclotron resonance, along with its second and third harmonics, has been observed in the quasi-two-dimensional organic superconductor $β^{\prime\prime}$-(BEDT-TTF)$_2$SF$_5$CH$_2$CF$_2$SO$_3$. The harmonic content is richly angle-dependent, and is interpreted in terms of the interlayer warping of the Fermi surface giving rise to the cyclotron resonance. In a departure from Kohn's theorem, but in agreement with recent theoretical predictions, the effective mass deduced from the cyclotron resonance measurements is greater than that determined from magnetic quantum oscillations.

cond-mat.str-el↗