@article{15359, abstract = {Molecular dynamics (MD) simulations play an important role in understanding and engineering heat transport properties of complex materials. An essential requirement for reliably predicting heat transport properties is the use of accurate and efficient interatomic potentials. Recently, machine-learned potentials (MLPs) have shown great promise in providing the required accuracy for a broad range of materials. In this mini-review and tutorial, we delve into the fundamentals of heat transport, explore pertinent MD simulation methods, and survey the applications of MLPs in MD simulations of heat transport. Furthermore, we provide a step-by-step tutorial on developing MLPs for highly efficient and predictive heat transport simulations, utilizing the neuroevolution potentials as implemented in the GPUMD package. Our aim with this mini-review and tutorial is to empower researchers with valuable insights into cutting-edge methodologies that can significantly enhance the accuracy and efficiency of MD simulations for heat transport studies.}, author = {Dong, Haikuan and Shi, Yongbo and Ying, Penghua and Xu, Ke and Liang, Ting and Wang, Yanzhou and Zeng, Zezhu and Wu, Xin and Zhou, Wenjiang and Xiong, Shiyun and Chen, Shunda and Fan, Zheyong}, issn = {1089-7550}, journal = {Journal of Applied Physics}, number = {16}, publisher = {AIP Publishing}, title = {{Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials}}, doi = {10.1063/5.0200833}, volume = {135}, year = {2024}, } @article{17373, abstract = {Scanning Kelvin probe microscopy (SKPM) is a powerful technique for investigating the electrostatic properties of material surfaces, enabling the imaging of variations in work function, topology, surface charge density, or combinations thereof. Regardless of the underlying signal source, SKPM results in a voltage image, which is spatially distorted due to the finite size of the probe, long-range electrostatic interactions, mechanical and electrical noise, and the finite response time of the electronics. In order to recover the underlying signal, it is necessary to deconvolve the measurement with an appropriate point spread function (PSF) that accounts the aforementioned distortions, but determining this PSF is difficult. Here, we describe how such PSFs can be determined experimentally and show how they can be used to recover the underlying information of interest. We first consider the physical principles that enable SKPM and discuss how these affect the system PSF. We then show how one can experimentally measure PSFs by looking at well-defined features, and that these compare well to simulated PSFs, provided scans are performed extremely slowly and carefully. Next, we work at realistic scan speeds and show that the idealized PSFs fail to capture temporal distortions in the scan direction. While simulating PSFs for these situations would be quite challenging, we show that measuring PSFs with similar scan conditions works well. Our approach clarifies the basic principles and inherent challenges to SKPM measurements and gives practical methods to improve results.}, author = {Lenton, Isaac C and Pertl, Felix and Shafeek, Lubuna B and Waitukaitis, Scott R}, issn = {1089-7550}, journal = {Journal of Applied Physics}, number = {4}, publisher = {AIP Publishing}, title = {{Beyond the blur: Using experimentally determined point spread functions to improve scanning Kelvin probe imaging}}, doi = {10.1063/5.0215151}, volume = {136}, year = {2024}, } @article{7458, abstract = {The coupling between magnetic and electric subsystems in composites of ferromagnetic and ferroelectric phases is a product property that is facilitated by mechanical strain that arises due to magnetostriction and the piezoelectric effect in the constituent phases. Such multiferroic composites are of immense interests for studies on the physics of electromagnetic coupling and for use in a variety of applications. Here, we focus on magneto-electric (ME) coupling in nanocomposites. Particular emphasis is on core-shell particles and coaxial fibers, thin film heterostructures, and planar structures with a variety of mechanical connectivity. A brief review of models that predict strong ME effects in nanostructures is followed by synthesis and characterization. Core-shell particulate composites can be prepared by hydrothermal processes and chemical or deoxyribonucleic acid-assisted assembly. Electrospinning techniques have been utilized to prepare defect free core-shell nanofibers. Core-shell particles and fibers can be assembled into superstructures with the aid of magnetic and electric fields and characterized for possible use in advanced technologies. Chemical-vapor deposition techniques have been shown to be effective for the preparation of heterostructures of ferrites and ferroelectrics. Exotic planar multiferroic structures with potential for enhancing ME coupling strengths are also considered. Scanning probe microscopy techniques are ideal for probing the nature of direct- and converse-ME coupling in individual nanostructures. Magnetoelectric characterization of assemblies of nanocomposites can be done by ME voltage coefficient, magnetic field induced polarization, and magneto-dielectric effects. We conclude with a brief discussion on possible avenues for strengthening the product properties in the nanocomposites.}, author = {Viehland, Dwight and Li, Jie Fang and Yang, Yaodong and Costanzo, Tommaso and Yourdkhani, Amin and Caruntu, Gabriel and Zhou, Peng and Zhang, Tianjin and Li, Tianqian and Gupta, Arunava and Popov, Maksym and Srinivasan, Gopalan}, issn = {0021-8979}, journal = {Journal of Applied Physics}, number = {6}, publisher = {AIP}, title = {{Tutorial: Product properties in multiferroic nanocomposites}}, doi = {10.1063/1.5038726}, volume = {124}, year = {2018}, } @article{7079, abstract = {We have observed that reacting Pb:Te:Ag:Se in a 1:1:1.9:1 molar ratio gives rise to what appears to be a predominantly single-phase alloy, which crystallizes in the PbSe cF8 fcc structure. However, further investigation of the structure using energy dispersive x-ray analysis reveals the presence of two phases, PbSe and β-Ag2Te, with identical lattice parameters. The total thermal conductivity of the formed alloy is remarkably low for a crystalline material, κT<0.6W∕mK at 675K, it is reproducible, and in addition, the compound has good mechanical properties.}, author = {Drymiotis, Fivos R. and Drye, Tyler B. and Wang, Yisha and He, Jian and Rhodes, Daniel and Modic, Kimberly A and Cawthorne, Samantha and Zhang, Qiu Run}, issn = {0021-8979}, journal = {Journal of Applied Physics}, number = {3}, publisher = {AIP}, title = {{Structure formation and very low thermal conductivity in Pb:Te:Ag:Se mixtures}}, doi = {10.1063/1.3284946}, volume = {107}, year = {2010}, } @article{21551, abstract = {Study of an α-Al2O3 single crystal by electron-induced x-ray emission spectroscopy and cathodoluminescence is reported. The relative intensities of optical emissions due to F+ and F centers have been determined as a function of the parameters of the electron beam and the annealing of the sample. It is shown that the F+ centers, i.e., the oxygen vacancies with one trapped electron, are predominant when the density of the incident electron beam increases. Similar variation is observed when the electron energy varies from 1 to 4 keV. From the comparison between x-ray and optical spectra, the F+ centers are determined to be stable defects in the bulk of the sample.}, author = {Jonnard, P. and Bonnelle, C. and Blaise, G. and Rémond, G. and Roques-Carmes, Charles}, issn = {1089-7550}, journal = {Journal of Applied Physics}, number = {11}, pages = {6413--6417}, publisher = {AIP Publishing}, title = {{F+ and F centers in α-Al2O3 by electron-induced x-ray emission spectroscopy and cathodoluminescence}}, doi = {10.1063/1.1324697}, volume = {88}, year = {2000}, }