P3HT coordinates were obtained using GaussView with the TopoTools plugin in VMD. A single P3HT 20-mer consisted of 1002 atoms including 2 terminal hydrogen atoms. SWNT coordinates were obtained using the Nanotube Builder plugin in VMD and then relaxed separately with the Tersoff potential before the simulation. In the single P3HT chain – single SWNT runs a simulation box much bigger than the mo...

Figure 1: The first all-atom structure of the complete HIV virus capsid [1], a breakthrough enabled by CUDA technology in NAMD, VMD, and the Blue Waters supercomputer at Illinois. The first scientific breakthrough achieved with the Blue Waters supercomputer at the University of Illinois was the determination of the structure of the complete HIV capsid in atomic-level detail, a collaborative eff...

Nature-mimetic hydrophobic membranes with high wetting resistance have been designed for seawater desalination via vacuum membrane distillation (VMD) in this study. This is achieved through molecular engineering of metal–organic framework (MOF)-functionalized alumina surfaces. A two-step synthetic strategy was invented to design the hydrophobic membranes: (1) to intergrow MOF crystals on the al...

Cortical neurons behave similarly to stochastic processes, as a consequence of their irregularity and dense connectivity. Their firing pattern is close to a Poisson process, and their membrane potential (V(m)) is analogous to colored noise. One way to characterize this activity is to identify V(m) to a multidimensional stochastic process. We review here this approach and how it can be used to e...

Rolling bearings are key components of rotary machines. To ensure early effective fault diagnosis for bearings, a new rolling bearing fault diagnosis method based on variational mode decomposition (VMD) and an improved kernel extreme learning machine (KELM) is proposed in this paper. A fault signal is decomposed via VMD to obtain the intrinsic mode function (IMF) components, and the approximate...

In response to the problems of low accuracy and poor noise immunity traditional fault diagnosis method for rolling bearing due complex variable operating conditions bearings large interference during signal acquisition, a model based on VMD–RP–CSRN is proposed. Firstly, initial feature extraction carried out by variational modal decomposition (VMD), which then converted into two-dimensional ima...

Abstract Monthly runoff forecasting has always been a key problem in water resources management. As data-driven method, the least square support vector machine (LSSVM) method investigated by numerous studies forecasting. However, selecting appropriate parameters for LSSVM is to obtaining satisfactory model performance. In this study, we propose hybrid monthly forecasting, VMD-SSA-LSSVM short, w...

Variational Mode Decomposition (VMD) provides a robust and feasible scheme for the analysis of mechanical non-stationary signals based on variational principle, but this method still has no adaptability, which greatly limits application in bearing fault diagnosis. To solve problem effectively, paper proposes novel fluctuation entropy (FE) guided-VMD essential characteristics impulse signals. Th...

Abstract The noise signal in the gyroscope is divided into four levels: sampling frequency level, device bandwidth resonant and carrier level. In this paper, dual-mass MEMS analyzed. Based on variational mode decomposition (VMD) algorithm, a novel reduction method proposed. VMD with different four-level center frequencies used to process original output of gyroscope, results are analyzed by All...

Chang’E-7 will be launched around 2026 to explore resources at the lunar south pole. Glaciers are suitable scenes on earth for penetrating radar verification. In verification experiment, ice-penetrating signals inevitably polluted by noise, affecting accuracy and reliability of glacier detection. This paper proposes a denoising method based combination whale optimization algorithm (WOA), variat...