Related papers: Scaling Dependencies in Irradiation-Driven Molecul…
The growth of iron-containing nanostructures in the process of focused electron beam-induced deposition (FEBID) of Fe(CO)$_5$ is studied by means of atomistic irradiation-driven molecular dynamics (IDMD) simulations. The geometrical…
This paper presents a detailed computational protocol for atomistic simulation of the formation and growth of metal-containing nanostructures during the Focused Electron Beam Induced Deposition (FEBID) process. The protocol is based upon…
Irradiation-driven fragmentation and chemical transformations of molecular systems play a key role in nanofabrication processes where organometallic compounds break up due to the irradiation with focused particle beams. In this study,…
Irradiation- and collision-induced fragmentation studies provide information about geometry, electronic properties and interactions between structural units of various molecular systems. Such knowledge brings insights into…
This work reports on the development of a new approach to the multiscale computational modelling of the focused electron beam-induced deposition (FEBID), realised using the advanced software packages: MBN Explorer and MBN Studio. Our…
Focused electron beam induced deposition (FEBID) is a powerful technique for 3D-printing of complex nanodevices. However, for resolutions below 10 nm, it struggles to control size, morphology and composition of the structures, due to a lack…
Recent advances in nanotechnology have created the need to manufacture three-dimensional nanostructures with controlled material composition. Focused Electron Beam Induced Deposition (FEBID) is a nanoprinting technique offering highest…
The present paper intends to be a new study of a widely used precursor in nanostructure deposition and FEBID processes with a focus on its fragmentation at collisions with low-energy electrons. Newer developments in nanotechnology with…
The role of thermal effects in the focused electron beam induced deposition (FEBID) process of Me$_2$Au(tfac) is studied by means of irradiation-driven molecular dynamics simulations. The FEBID of Me$_2$Au(tfac), a commonly used precursor…
The development of modern metal deposition techniques like Focused Ion/Electron Beam Induced Deposition FIBID/FEBID relies heavily on the availability of metal-organic precursors of particular properties. To create a new precursor,…
Tungsten (W) is the leading candidate material for plasma-facing components in fusion reactors, yet its upper operational temperature is limited by premature grain growth and recrystallization processes. Irradiation adds further…
Focused electron beam induced deposition (FEBID) is an additive manufacturing technique uniquely suited for fabricating nanoscale 3D prototypes for a range of applications, including spintronic devices. However, the variation of growth…
Properties of candidate stars, forming out of molecular clouds, depend on the ambient conditions of the parent cloud. We present a series of 2D and 3D simulations of fragmentation of molecular clouds in starburst regions as well as clouds…
We model molecular cloud fragmentation with thin disk non-ideal magnetohydrodynamic simulations that include ambipolar diffusion and partial ionization that transitions from primarily ultraviolet dominated to cosmic ray dominated regimes.…
Gas-phase oxygen-rich iron oxide clusters Fe(O2)n+ (n=1-6), are produced in a molecular beam apparatus. Their stability and structure are investigated by measuring the fragmentation cross sections from collision-induced-dissociation…
Ionic liquid ion sources are a promising technology that can be used for many applications from space propulsion to focused ion beam microetching. Ionic liquid ion sources produce ion beams by extracting single ions and metastable solvated…
The fragmentation dynamics of 2,6- and 3,5-difluoroiodobenzene after iodine 4$d$ inner-shell photoionization with soft X-rays are studied using coincident electron and ion momentum imaging. By analyzing the momentum correlation between…
This paper reviews Irradiation Driven Molecular Dynamics (IDMD) - a novel computational methodology for atomistic simulations of the irradiation driven transformations of complex molecular systems implemented in the MBN Explorer software…
We study the brittle fragmentation of spheres by using a three-dimensional Discrete Element Model. Large scale computer simulations are performed with a model that consists of agglomerates of many particles, interconnected by beam-truss…
Fragmentation dynamics in the Coulomb explosion of hydrocarbons, specifically methane, ethane, propane, and butane, are investigated using time dependent density functional theory (TDDFT) simulations. The goal of this work is to elucidate…