相关论文: Thermal Stability of Diamond-Like Carbon Nanothrea…
This chapter introduces the thermal conductivity of a novel one-dimensional carbon nanostructure - diamond nanothread. It starts by introducing the family of the diamond nanothread as acquired from density functional theory calculations and…
The ultrathin one-dimensional sp3 diamond nanothreads (NTHs), as successfully synthesised recently, have greatly augmented the interests from the carbon community. In principle, there can exist different stable NTH structures. In this work,…
Nitrogen-vacancy (NV) center in diamond is an ideal candidate for quantum sensors because of its excellent optical and coherence property. However, previous studies are usually conducted at low or room temperature. The lack of full…
The nitrogen-vacancy (NV) centers in diamond sensing has been considered to be a promising micro-nano scale thermometer due to its high stability, good temperature resolution and integration. In this work, we fabricated the sensing core by…
Dynamics of adsorption and desorption of (4S)-N on amorphous solid water are analyzed using molecular dynamics simulations. The underlying potential energy surface was provided by machine-learned interatomic potentials. Binding energies…
The process of hydrogen desorption from graphane (graphene sheet saturated by hydrogen adsorbed from both sides) has been studied using the method of molecular dynamics. The temperature dependences of the time of desorption onset for…
The nitrogen-vacancy (NV) center is a well utilized system for quantum technology, in particular quantum sensing and microscopy. Fully employing the NV center's capabilities for metrology requires a strong understanding of the behavior of…
The mechanism of ballas like nano crystalline diamond formation (NCD) still remains elusive, and this work attempts to analyze its formation in the framework of activation energy ($E_\text{a}$) of NCD films grown from…
Nanodiamonds have emerged as promising materials for quantum computing, biolabeling, and sensing due to their ability to host color centers with remarkable photostability and long spin-coherence times at room temperature. Recently, a…
Based on the non-equilibrium molecular dynamics simulations, we have studied the thermal conductivities of a novel ultra-thin one-dimensional carbon nanomaterial - diamond nanothread (DNT). Unlike single-wall carbon nanotube (CNT), the…
The diffusive thermal conductivity of neutrons in dense matter [$\rho \sim (1 - 8) \times 10^{14}$ g cm$^{-3}$] of neutron star cores is calculated. The contribution from neutron--neutron and neutron--proton collisions is taken into…
Quantum coherence control usually requires extremely low temperature environments. Even for spins in diamond, a remarkable exception, the coherence signal is lost as temperature approaches 700 K. Here we demonstrate quantum coherence…
Tight-binding molecular dynamics simulations shed light into the fracture mechanisms and the ideal strength of tetrahedral amorphous carbon and of nanocomposite carbon containing diamond crystallites, two of the hardest materials. It is…
Na-ion conduction, and correlations between Na-ion conduction pathways and crystal structure have been investigated as a function of temperature in the layered battery material Na2Ni2TeO6 by impedance spectroscopy and neutron diffraction,…
The nitrogen-vacancy (NV) center in diamond is the prototype quantum defect that enables a variety of diamond-based quantum technologies. However, charge-state instability and spectral diffusion, often induced by substitutional nitrogen…
We investigate the thermal conductivity of four types of deformed carbon nanotubes by using the nonequilibrium molecular dynamics method. It is reported that various deformations have different influence on the thermal properties of carbon…
We have measured the dissipation and frequency of nanocrystalline-diamond nanomechanical resonators with resonant frequencies between 13.7 MHz and 157.3 MHz, over a temperature range of 1.4-274 K. Using both magnetomotive network analysis…
We demonstrate the tracking of the spin dynamics of ensemble and individual magnetic ferritin proteins from cryogenic up to room temperature using the nitrogen-vacancy color center in diamond as magnetic sensor. We employ different…
Failures attributed to hydrogen embrittlement are a major concern for metals so a better understanding of damage micro-mechanisms and hydrogen diffusion within the metal is needed. Local concentrations depend on transport phenomena…
A novel algorithm has been proposed for simulating thermal decomposition of atomic clusters at such low temperatures that the corresponding lifetimes are macroscopic and, hence, standard molecular dynamics algorithms are inapplicable. The…