Related papers: Amorphous silicon structures generated using a mom…
We generate representative structural models of amorphous carbon (a-C) from constant-volume quenching from the liquid with subsequent relaxation of internal stresses in molecular dynamics simulations using empirical and machine-learning…
Accurate property characterization is a major bottleneck in materials design. While first-principles methods and task-specific machine-learning models have driven important progress, they remain fundamentally limited in scalability and…
Based on density-functional perturbation theory we have computed from first principles the photoelastic tensor of few crystalline phases of silica at normal conditions and high pressure (quartz, $\alpha$-cristobalite, $\beta$-cristobalite)…
Recently, laser-assisted chemical vapor deposition was used to synthesize a free-standing, continuous, and stable monolayer amorphous carbon (MAC). MAC is a pure carbon structure composed of randomly distributed five, six, seven, and eight…
Investigating Li$^+$ transport within the amorphous lithium phosphorous oxynitride (LiPON) framework, especially across a Li||LiPON interface, has proven challenging due to its amorphous nature and varying stoichiometry, necessitating large…
ANN (Artificial Neural Networks) modeling methodology was adopted for predicting mechanical properties of aluminum cast composite materials. For this purpose aluminum alloy were developed using conventional foundry method. The composite…
Spin models are the prime example of simplified manybody Hamiltonians used to model complex, real-world strongly correlated materials. However, despite their simplified character, their dynamics often cannot be simulated exactly on…
Neutral atoms can be trapped and manipulated with surface mounted microscopic current carrying and charged structures. We present a lithographic fabrication process for such atom chips based on evaporated metal films. The size limit of this…
Metamaterials are structures engineered at a small scale with respect to the wavelength of the excitations they interact with. These structures behave as artificial materials whose properties can be chosen by design, mocking and even…
Amorphous insulators have localized wave functions that decay with the distance $r$ following exp($-r/\zeta$). Since nanoscale conduction is not excluded at $r<\zeta$, one may use amorphous insulators and take advantage of their size effect…
Action potential generation underlies some of the most consequential dynamical systems on Earth, from brains to hearts. It is therefore interesting to develop synthetic cell-free systems, based on the same molecular mechanisms, which may…
Nowadays, academic research relies not only on sharing with the academic community the scientific results obtained by research groups while studying certain phenomena, but also on sharing computer codes developed within the community. In…
While topological phases have been extensively studied in amorphous systems in recent years, it remains unclear whether the random nature of amorphous materials can give rise to higher-order topological phases that have no crystalline…
Large-scale atomistic simulations rely on interatomic potentials providing an efficient representation of atomic energies and forces. Modern machine-learning (ML) potentials provide the most precise representation compared to electronic…
The atomistic mechanisms during lithiation and delithiation of amorphous Si nanowires ($a$-SiNW) have been investigated over cycles by molecular dynamics simulations. First, the Modified Embedded Atom Method (MEAM) potential from Cui et al.…
In $e$-beam evaporated amorphous silicon ($a$-Si), the densities of two-level systems (TLS), $n_{0}$ and $\overline{P}$, determined from specific heat $C$ and internal friction $Q^{-1}$ measurements, respectively, have been shown to vary by…
In recent years, machine learning interatomic potentials (MLIPs) have attracted significant attention as a method that enables large-scale, long-time atomistic simulations while maintaining accuracy comparable to electronic structure…
We present a detailed study of the effect of local chemical ordering on the structural, electronic, and dynamical properties of amorphous gallium arsenide. Using the recently-proposed ``activation-relaxation technique'' and empirical…
Nonlinear topology is an emerging field that combines the intrinsic reconfigurability of nonlinear systems with the robustness of topological protection, offering fertile ground for unconventional phenomena and novel applications. Recently,…
The nanostructure of hydrogenated amorphous silicon (a Si:H) is studied by a combination of small-angle X-ray (SAXS) and neutron scattering (SANS) with a spatial resolution of 0.8 nm. The a-Si:H materials were deposited using a range of…