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We present design and implementation of a novel neural network potential (NNP) and its combination with an electrostatic embedding scheme, commonly used within the context of hybrid quantum-mechanical/molecular-mechanical (QM/MM)…

Chemical Physics · Physics 2025-08-15 Felix Pultar , Moritz Thuerlemann , Igor Gordiy , Eva Doloszeski , Sereina Riniker

We present the results of Monte Carlo simulations of the magnetic properties of a model for a single nanoparticle consisting in a ferromagnetic core surrounded by an antiferromagnetic shell. The simulations of hysteresis loops after cooling…

Materials Science · Physics 2007-05-23 Oscar Iglesias , Amilcar Labarta

Micromagnetics depends on high-fidelity numerical methods for magnetization dynamics. This work proposes a third-order temporal accuracy scheme for the Landau-Lifshitz-Gilbert equation, addressing accuracy-efficiency trade-offs in existing…

Mathematical Physics · Physics 2025-11-17 Changjian Xie , Cheng Wang

Magnetic nanoparticles (MNPs) have excellent magnetic-temperature characteristic. However, current temperature measurement based on MNPs is interfered by concentration. Utilizing the electron spin resonance (ESR), we propose a highly…

Mesoscale and Nanoscale Physics · Physics 2021-08-25 Shuai Wang , Jing Zhong , Wenzhong Liu

Ferromagnetic materials exhibit anisotropy, saturation, and hysteresis. We here study the incorporation of an incremental vector hysteresis model representing such complex behavior into nonlinear magnetic field problems both, from a…

Numerical Analysis · Mathematics 2025-06-03 Herbert Egger , Felix Engertsberger

A recently developed numerical method, entanglement perturbation theory (EPT), is used to study the antiferromagnetic Heisenberg spin chains with z-axis anisotropy $\lambda$ and magnetic field B. To demonstrate the accuracy, we first apply…

Strongly Correlated Electrons · Physics 2015-05-30 Lihua Wang , Sung Gong Chung

Confronting the unveiled sophisticated multiscale structural and physical characteristics of hysteresis simulation of permanent magnets, notably samarium-cobalt (Sm-Co) alloy, a novel scheme is proposed linking physics-based micromagnetics…

Materials Science · Physics 2023-04-12 Yangyiwei Yang , Patrick Kühn , Mozhdeh Fathidoost , Bai-Xiang Xu

Recent advances in nanoscale magnetism have demonstrated the potential for spin-based technology including magnetic random access memory, nanoscale microwave sources, and ultra-low power signal transfer. Future engineering advances and new…

Mesoscale and Nanoscale Physics · Physics 2015-02-24 J. M. Bartell , D. H. Ngai , Z. Leng , G. D. Fuchs

Three-dimensional, time-dependent numerical simulations of the dynamics of magnetic flux ropes are presented. The simulations are targeted towards an experiment previously conducted at CalTech (Bellan, P. M. and J. F. Hansen, Phys. Plasmas,…

Plasma Physics · Physics 2009-11-13 L. Arnold , J. Dreher , R. Grauer , H. Soltwisch , H. Stein

We present an analytical theory on the heights of the quantum steps observed in the hysteresis loops of molecular magnets. By considering the dipolar interaction between molecular spins, our theory successfully yields the step heights…

Soft Condensed Matter · Physics 2009-11-07 Jie Liu , Biao Wu , Li-Bin Fu , Roberto B. Diener , Qian Niu

Antiferromagnetic L1$_{0}$-type MnPt is a material with relatively simple crystal and magnetic structure, recently attracting interest due to its high N{\'{e}}el temperature and wide usage as a pinning layer in magnetic devices. While it is…

Materials Science · Physics 2023-11-23 Kisung Kang , David G. Cahill , André Schleife

It is widely believed that maximum likelihood estimators must be used to provide optimal estimates of power spectra. Since such estimators require require of order N_d^3 operations they are computationally prohibitive for N_d greater than a…

Astrophysics · Physics 2008-11-26 G. Efstathiou

Local magnetic order and anisotropy are often central for understanding fundamental behavior and emergent functional properties in quantum materials and beyond. Advances in neutron powder diffraction experiments and analysis tools now allow…

Strongly Correlated Electrons · Physics 2025-04-17 Raju Baral , Danielle R. Yahne , Malcolm J. Cochran , Matthew Powell , Joseph W. Kolis , Haidong Zhou , Stuart Calder

Careful determination of the heating performance of magnetic nanoparticles under AC fields is critical for magnetic hyperthermia applications. However, most interpretations of experimental data are based on the uniaxial anisotropy…

Materials Science · Physics 2024-09-16 Daniel Faílde , Víctor Ocampo-Zalvide , David Serantes , Òscar Iglesias

CrI$_{3}$ is considered to be a promising candidate for spintronic devices and data storage. We derived the Heisenberg Hamiltonian for CrI$_{3}$ from density functional calculations using the Liechtenstein formula. Moreover, the…

Materials Science · Physics 2023-04-24 Hung Ba Tran , Hiroyoshi Momida , Yu-ichiro Matsushita , Koun Shirai , Tamio Oguchi

An algorithm for the minimization of the energy of magnetic systems is presented and applied to the analysis of thermal configurations of a ferromagnet to identify inherent structures, i.e. the nearest local energy minima, as a function of…

Computational Physics · Physics 2022-11-09 Aleksei V. Ivanov , Valery M. Uzdin , Hannes Jónsson

We use the diagram technique for spin operators to calculate Green's functions and observables of the spin-1/2 quantum Heisenberg antiferromagnet on a square lattice. The first corrections to the self-energy and interaction are taken into…

Strongly Correlated Electrons · Physics 2009-10-31 A. Sherman , M. Schreiber

We investigate the quasi-static magnetic behavior of ensembles of non-interacting ferromagnetic nanoparticles consisting of MnP nanoclusters embedded in GaP(001) epilayers grown at 600, 650 and 700{\deg}C. We use a phenomenological model,…

Materials Science · Physics 2016-03-23 Christian Lacroix , Samuel Lambert-Milot , Patrick Desjardins , Remo A. Masut , David Menard

Large magnetic anisotropy and coercivity are key properties of functional magnetic materials and are generally associated with rare earth elements. Here we show an extreme, uniaxial magnetic anisotropy and the emergence of magnetic…

Strongly Correlated Electrons · Physics 2014-02-27 A. Jesche , R. W. McCallum , S. Thimmaiah , J. L. Jacobs , V. Taufour , A. Kreyssig , R. S. Houk , S. L. Bud'ko , P. C. Canfield

Using dimensional reduction we construct an effective 3D theory of the Minimal Supersymmetric Standard Model at finite temperature. The final effective theory is obtained after three successive stages of integration out of massive…

High Energy Physics - Phenomenology · Physics 2011-05-05 Marta Losada
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