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In this paper, we propose a multi-layered hyperelastic plate theory of growth within the framework of nonlinear elasticity. First, the 3D governing system for a general multi-layered hyperelastic plate is established, which incorporates the growth effect, and the material and geometrical parameters of the different layers. Then, a series expansion-truncation approach is adopted to eliminate the thickness variables in the 3D governing system. An elaborate calculation scheme is applied to derive the iteration relations of the coefficient functions in the series expansions. Through some further manipulations, a 2D vector plate equation system with the associated boundary conditions is established, which only contains the unknowns in the bottom layer of the plate. To show the efficiency of the current plate theory, three typical examples regarding the growth-induced deformations and instabilities of multi-layered plate samples are studied. Some analytical and numerical solutions to the plate equation are obtained, which can provide accurate predictions on the growth behaviors of the plate samples. Furthermore, the problem of `shape-programming' of multi-layered hyperelastic plates through differential growth is studied. The explicit formulas of shape-programming for some typical multi-layered plates are derived, which involve the fundamental quantities of the 3D target shapes. By using these formulas, the shape evolutions of the plates during the growing processes can be controlled accurately. The results obtained in the current work are helpful for the design of intelligent soft devices with multi-layered plate structures.

As an extension of two-level quantum bits (qubits), multilevel systems, so-called qudits, where d represents the Hilbert space dimension, have been predicted to reduce the number of iterations in quantum computation algorithms. This has been tested in the well-known [TbPc2]0 SMM, which allowed the implementation of the Grover algorithm in a single molecular unit. In the quest for molecular systems possessing an increased number of accessible nuclear spin states, we explore herein a dimeric Tb2-SMM via single crystal {\mu}-SQUID measurements at sub-Kelvin temperatures. We observe ferromagnetic interactions between the Tb(III) ions and cooperative quantum tunneling of the electronic spins with spin ground state \textit{J} = {\pm}6. The strong hyperfine coupling with the Tb(III) nuclear spins leads to a multitude of spin reversal paths leading to seven strong hyperfine driven tunneling steps in the hysteresis loops. Our results show the possibility to read-out the Tb(III) nuclear spin states via the cooperative tunneling of the electronic spins, making the dimeric Tb2-SMM an excellent nuclear spin qudit candidate with d =16., Comment: Manuscript contains 17 pages, 4 figures, and SI contains 10 pages and 8 figures

Organometallic nanostructures are promising candidates for applications in optoelectronics, magnetism and catalysis. Our bottom-up approach employs a cyano-functionalized terminal alkyne species (CN-DETP) on the Ag(110) surface to fabricate 2D domains of regularly stacked Ag-acetylide nanowires. We unravel their adsorption properties and give evidence to their organometallic character with the aid of complementary surface-sensitive techniques, i.e. scanning tunneling microscopy, X-ray photoelectron spectroscopy and near-edge X-ray absorption fine-structure spectroscopy. Guided by the anisotropic (110) surface, highly oriented nanowires form in two enantiomorphic domains of regularly stacked trans isomers, whereby the bifunctional design of CN-DETP gives rise to orthogonal bonding motifs. Based on STM imaging, we find high thermal stability of the Ag-bis-acetylide wires, without conversion into graphdiyne chains. Our approach based on orthogonal bifunctionalization and selective functional group recognition extends the toolbox of creating alkyne-based nanostructures at interfaces.

As a theoretical component of the joint effort with the laboratory of Dr. Lou Allamandola to search for potential candidates for interstellar organic carbon compound that are responsible for the visible diffuse interstellar absorption bands (DIB's), quantum mechanical calculations were performed on the electron absorption spectra of selected polycyclic aromatic hydrocarbons (PAH) and derivatives. In the completed project, 15 different species of naphthalene, its hydrogen abstraction and addition derivatives, and corresponding cations and anions were studied. Using semiempirical quantum mechanical method INDO/S, the ground electronic state of each species was evaluated with restricted Hartree-Fock scheme and limited configuration interaction. The lowest energy spin state for each species was used for electron absorption calculations. Results indicate that these calculations are accurate enough to reproduce the spectra of naphthalene cation and anion observed in neon matrix. The spectral pattern of the hydrogen abstraction and addition derivatives predicted based on these results indicate that the electron configuration of the pi orbitals of these species is the dominant determinant. A combined list of 19 absorptions calculated from 4500 A to 10,400 A were compiled and suggested as potential candidates that are relevant for the DIB's absorptions. Continued studies on pyrene and derivatives revealed the ground state symmetries and multiplicities of its neutral, anionic, and cationic species. Spectral calculations show that the cation (B(sub 3g)-2) and the anion (A(sub u)-2) are more likely to have low energy absorptions in the regions between 10 kK and 20 kK, similar to naphthalene. These absorptions, together with those to be determined from the hydrogen abstraction and addition derivatives of pyrene, can be used to provide additional candidates and suggest experimental work in the search for interstellar compounds that are responsible for DIB's.

In order to preselect possible candidates for the origin of diffuse interstellar bands observed, semiempirical quantum mechanical method INDO/S was applied to the optical spectra of neutral, cationic, and anionic states of naphthalene and its hydrogen abstraction and addition derivatives. Comparison with experiment shows that the spectra of naphthalene and its ions were reliably predicted. The configuration interaction calculations with single-electron excitations provided reasonable excited state wavefunctions compared to ab initio calculations that included higher excitations. The degree of similarity of the predicted spectra of the hydrogen abstraction and derivatives to those of naphthalene and ions depends largely on the similarity of the it electron configurations. For the hydrogen addition derivatives, very little resemblance of the predicted spectra to naphthalene was found because of the disruption of the aromatic conjugation system. The relevance of these calculations to astrophysical issues is discussed within the context of these polycyclic aromatic hydrocarbon models. Comparing the calculated electronic energies to the Diffuse Interstellar Bands (DIBs), a list of possible candidates of naphthalene derivatives is established which provides selected candidates for a definitive test through laboratory studies.