Related papers: Multiscale simulations of three-dimensional nanotu…
Molecular dynamics simulations show that a graphene nanoribbon with alternating regions which are one and three hexagons wide can transform into a hybrid 1D nanoobject with alternating double chains and polycyclic regions under electron…
With an increasing complexity of nanoscopic systems and the modeling thereof, new theoretical tools are needed for a reliable calculation of complex systems with strong electronic correlations. To this end, we propose a new approach based…
Thermal Interface Materials (TIMs) are widely used in electronic packaging. Increasing power density and limited assembly space pose high demands on thermal management. Large cooling surfaces need to be covered efficiently. When joining the…
The DNA molecules were controllable deposited on graphene and thin graphite films and visualized using AFM. The mechanical micro- and nanotools, such as nanotweezers with shape memory effect controlled by heating were designed and tested. A…
Multiscale simulation approaches are needed in order to address scientific and technological questions in the rapidly developing field of carbon nanotube electronics. In this paper, we describe an effort underway to develop a comprehensive…
We study the transport properties of disordered electron systems that contain perfectly conducting channels. Two quantum network models that belong to different universality classes, unitary and symplectic, are simulated numerically. The…
Using first-principles total-energy pseudopotential calculations, we have studied the properties of chains of potassium and aluminum in nanotubes. For BN tubes, there is little interaction between the metal chains and the tubes, and the…
With the growing maturity of additive manufacturing, the fabrication of architected or lattice-based metamaterials has become a reality for industrial applications. These materials combine lightweight design with tailored mechanical…
We present a novel interpretable machine learning model to accurately predict complex rippling deformations of Multi-Walled Carbon Nanotubes(MWCNTs) made of millions of atoms. Atomistic-physics-based models are accurate but computationally…
Growing diversity and complexity of on-chip photonic applications requires rapid design of components with state-of-the-art operation metrics. Here, we demonstrate a highly flexible and efficient method for designing several classes of…
Many experiments have shown large flow enhancement ratios (up to 10^5) in carbon nanotubes (CNT) with diameters larger than 5nm. However, molecular dynamics simulations have never replicated these results maintaining a…
We use electrostatic force microscopy and scanned gate microscopy to probe the conducting properties of carbon nanotubes at room temperature. Multi-walled carbon nanotubes are shown to be diffusive conductors, while metallic single-walled…
Low dimensional materials provide the possibility of improved thermoelectric performance due to the additional length scale degree of freedom for engineering their electronic and thermal properties. As a result of suppressed phonon…
The aim of this paper is to develop a multiscale hierarchical hybrid model based on finite element analysis and neural network computation to link mesoscopic scale (trabecular network level) and macroscopic (whole bone level) to simulate…
Investigating the cellular internalization pathways of single molecules or single nano-objects is important to understanding cell-matter interactions and to applications in drug delivery and discovery. Imaging and tracking the motion of…
In this thesis, I explored the use of several machine learning techniques, including neural networks, simulation-based inference, and generative flow networks, on predicting CNTFETs performance, probing the conductivity properties of CNT…
A computational fluid dynamics (CFD) simulation framework for fluid-flow prediction is developed on the Tensor Processing Unit (TPU) platform. The TPU architecture is featured with accelerated dense matrix multiplication, large high…
Recently, large offshore wind power plants have been installed far from the shore, using long HVAC three-core armored cables to export power. Its high capacitance may contribute to the appearance of unwanted phenomena, such as overvoltages…
A data driven computational model that accounts for more than two material states has been presented in this work. Presented model can account for multiple state variables, such as stresses, strains, strain rates and failure stress, as…
Understanding the behavior of entities is critical to the development of new policies and technologies aiming at global health and wellbeing; this paper presents a unified model developed and validated for the deposition of entities,…