Related papers: Toward a Deterministic Nucleation Theory for Chira…
Amorphous carbon nanotubes (a-CNT) with up to four walls and sizes ranging from 200 to 3200 atoms have been simulated, starting from initial random configurations and using the Gaussian Approximation Potential [Phys. Rev. B 95, 094203…
We calculate the van der Waals energy of a C60 molecule when it is encapsulated in a single-walled carbon nanotube with discrete atomistic structure. orientational degrees of freedom and longitudinal displacements of the molecule are taken…
We theoretically study the interplay between electrical and mechanical properties of suspended, doubly clamped carbon nanotubes in which charging effects dominate. In this geometry, the capacitance between the nanotube and the gate(s)…
Maximum structural chirality refers to the highest selectivity for circularly polarized light (CPL) in nanostructures, often manifested as maximum circular dichroism (CD), optical rotation (OR), and spin-orbit coupling (SOC). However, the…
Carbon nanotubes (CNTs - long tubular carbon nanostructures) belong to the best electron field emitting materials. Based on the experimentally determined electron density in the dual hot filament/DC plasma deposition system the electric…
Nanotubes show great promise for miniaturizing advanced technologies. Their exceptional physical properties are intimately related to their morphological and crystal structure. Circumferential faceting of multiwalled nanotubes reinforces…
Tensile tests at room temperature are performed using molecular dynamics on all configurations of single-walled carbon nanotubes up to 4 nm in diameter. Distributions of the Young's modulus, Poisson's ratio, ultimate tensile strength and…
When continued device scaling reaches the ultimate limit imposed by atoms, technology based on atomically precise structures is expected to emerge. Device fabrication will then require building blocks with identified atomic arrangements and…
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…
We report the realization of nanotube-based quantum dot structures that use local electrostatic gating to produce individually controllable dots in series along a nanotube. Electrostatic top-gates produce depletion regions in the underlying…
The classical theory of grain nucleation suffers from both theoretical and predictive deficiencies. We strive to alleviate these deficiencies in our understanding of dust formation and growth by utilizing an atomistic model of nucleation.…
A mechanism for creating an enantioenrichment in the amino acids, the building blocks of the proteins, that involves global selection of one handedness by interactions between the amino acids and neutrinos from core-collapse supernovae is…
In this paper, we propose a characterization of the mechanical response of the linearly elastic shell we associate to a single-wall carbon nanotube of arbitrary chirality. In Bajaj et al. 2013, we gave such a characterization in the case of…
We study source-to-sink excitation transport on carbon nanotubes using the concept of quantum walks. In particular, we focus on transport properties of Grover coined quantum walks on ideal and percolation perturbed nanotubes with zig-zag…
Three-dimensional (3D) magnetic nanostructures offer unprecedented opportunities for engineering emergent spin textures, but controlling their configuration remains a central challenge. Here we show that conformally coated Ni Nanotubes…
The mechanical properties of metallic nanostructures are governed not only by topology but also by crystal symmetry and face-specific surface physics, which are typically absent from continuum topology optimization. We develop an…
Single-walled carbon nanotubes (SWCNTs) are promising for nanoscale electronics and photonics, but practical deployment requires chirality control. Most catalytic chemical vapor deposition (CCVD) growth of SWCNTs proceeds on liquid metal…
Structure of the spin-orbit coupling varies from material to material and thus finding the correct spin-orbit coupling structure is an important step towards advanced spintronic applications. We show theoretically that the curvature in a…
Chirality in integrated quantum photonics has emerged as a promising route towards achieving scalable quantum technologies with quantum nonlinearity effects. Topological photonic waveguides, which utilize helical optical modes, have been…
The extraordinary one-dimensional properties of carbon nanotubes have captivated scientists and engineers since their discovery in the early 1990s. In particular, semiconducting single-wall carbon nanotubes (SWCNTs) are highly promising for…