Digital twins will simplify search of optimal nanoparticles for photonics
Scientists from Immanuel Kant Baltic Federal University have elaborated mathematical algorithm for precise calculation of optical properties of silver nanoparticles of different shapes. With the help of such instrument authors have created digital twins of nanoparticles, that show how real samples will interact with light. Previously you can discover such characteristics only after expensive and laborious synthesis. The elaboration will be useful in creating of highly sensitive optical sensors on the base of such nanoparticles, including systems of early diagnosis of diseases and therapeutic monitoring of medical drugs in human biologic fluids. Results of the research are published in the journal Optical and Quantum Electronics.
Due to their antimicrobial properties silver nanoparticles are used in medicine for treatment of infections, systems of drug delivery and coatings of bone implants. In industry they are applied as a part of materials for electronics, air and water purification. At the same time for different purposes you need nanoparticles with individual properties, for example, shape, size, this or that ability to interact with light. Usually you have to choose such characteristics experimentally, by synthesizing real samples. This process is rather expensive and laborious, so researchers are looking for an alternative one.
Scientists from Immanuel Kant Baltic Federal University (Kaliningrad) have elaborated mathematical algorithm, that enables to define properties of silver nanoparticles of different sizes and shapes without producing real samples.
With the help of new mathematical instrument authors have modelled the behavior of silver particles of different sizes and forms (in the shape of spheres, cylinders, needles and stars) in the vacuum or water—liquid, that is more often used as an environment for chemical synthesis. Algorithm has enabled to define how nanoparticles interact with light of ultraviolet, visible and infrared diapasons: how effectively they absorb, disperse and as a result increase or weaken different wavelengths.
It has turned out that each shape of nanoparticles possesses unique optical "fingerprints", Authors have noted that nanoneedles and nanostars concentrate light energy on the sharp endings. Thanks to that they are the easiest "to tune" to light amplification in near infrared diapason.
"The suggested algorithm simplifies designing of nanomaterials for material sciences and biophysical applications: now to obtain a particle with specified properties it's not necessary to synthesize tens of samples of different sizes and shapes. This not only saves time and resources, but enables to create complex nanodevices, that were practically unreal to design earlier using trial and error method. Our work would be impossible without support of Sofya Kovalevskaya Mathematical Centre and active work of our postgraduates, who thoroughly and deeply studied the subject. In future it's highly important to direct results of mathematical calculations and information, obtained from the studied models into practical sphere",—tells Andrey Zyubin, Candidate of Physico-mathematical Sciences, head of the Laboratory of mathematical modelling of optical properties of nanomaterials of Sofia Kovalevskaya Research Centre, senior researcher of REC "Fundamental and Applied Photonics. Nanophotonics", Immanuel Kant Baltic Federal University.
More information:
doi.org/10.1007/s11082-025-08452-1
Provided by Immanuel Kant Baltic Federal University
