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At least 73 records · Page 4

Analytical Model for Atomic Relaxation in Twisted Moiré Materials

By virtue of being atomically thin, the electronic properties of heterostructures built from two-dimensional materials are strongly influenced by atomic relaxation. The atomic layers behave as flexible membranes rather than rigid crystals. Here we develop an analytical theory of lattice relaxation in twisted moiré materials. We obtain analytical results for the lattice displacements and corresponding pseudo gauge fields, as a function of twist angle. We benchmark our results for twisted bilayer graphene and twisted WSe 2 bilayers using large-scale molecular dynamics simulations. Our single-parameter theory is valid in graphene bilayers for twist angles 𝜃 ≳ 0.7°, and in twisted WSe 2 for 𝜃 ≳ 1.6°. Furthermore, we also investigate how relaxation alters the electronic structure in twisted bilayer graphene, providing a simple extension to the continuum model to account for lattice relaxation.

36 MATERIALS SCIENCE↗

Analytical model for laser-induced transient grating measurements of thermal diffusivity in non-opaque materials

The thermal transport and elastic properties of materials are often measured using the laser-induced transient grating spectroscopy (TGS) technique. The analysis of the TGS signal usually involves fitting well-known expressions, derived assuming the limiting cases of opaque or transparent materials, to the measured data. In this paper, the system of thermoelastic equations is analytically solved for an isotropic homogeneous material assuming finite laser penetration depth, which is an important consideration when the penetration depth is on the order of the acoustic wavelength. The need to use such a solution is discussed and compared to the expression for opaque material. The solution is benchmarked against TGS signal measured on single-crystal silicon with {100} surface orientation and is found to significantly improve the accuracy of the calculated thermal diffusivity as compared to using the expression for opaque material.

36 MATERIALS SCIENCE↗

Numerical and Analytical Modeling of Flow Partitioning in Partially Saturated Fracture Networks

Infiltration processes in fractured-porous media remain a crucial, yet not very well understood component of recharge and vulnerability assessment. Under partially-saturated conditions flows in fractures, percolating fracture networks, and fault zones contribute to the fastest spectrum of infiltration velocities via preferential pathways. Specifically, the partitioning dynamics at fracture intersections determine the magnitude of flow fragmentation into vertical and horizontal components and hence the bulk flow velocity and dispersion of fracture networks. In this work, we derive an approximate analytical solution for the partitioning process and validate it using smoothed particle hydrodynamics simulations. The developed transfer function is conceptually based on simulation results and laboratory experiments carried out in previous works. It allows to efficiently simulate flow through fracture networks with simple cubic structure and arbitrary number of fractures and aperture sizes via linear response theory and convolution of a given input signal. We derive a non-dimensional bulk flow velocity ($\widetilde{v}$) and dispersion coefficient ($\widetilde{D}$) to characterize fracture networks in terms of dimensionless horizontal and vertical time scales $\tau_m$ and $\tau_0$. The dispersion coefficient is shown to strongly depend on the horizontal time scale and converges towards a constant value of $0.08$ within reasonable fluid and geometrical parameter ranges, while the non-dimensional velocity exhibits a characteristic $\widetilde{v} \sim \tau_m^{-1/2}$ scaling. Given that hydraulic information is often only available at limited places within (fractured-porous) aquifer system, such as boreholes or springs, our study intends to provide a rudimentary analytical concept to potentially reconstruct internal fracture network geometries from external boundary information, e.g., the dispersive properties of discharge (groundwater level fluctuations).

42 ENGINEERING↗

Assessment of errors in analytic modeling of permanent magnet electron spectrometers for laser-plasma accelerators

Here, we assess the error in three treatments of a critical electron beam diagnostic for laser-plasma acceleration (LPA) experiments: a permanent magnet electron spectrometer. Since LPA electron spectrometers are often difficult to calibrate due to the scarcity of well-characterized, tunable electron beam sources in the appropriate energy range and the mechanical complexity of electron spectrometers, the standard of calibration is Hall probe measurements. We first compare the electron spectrometer performance between SIMION calculations and the Hall probe measurements. We find up to a 60% (<8%) error in determining the absolute energy for electrons below (above) 80 MeV when using the SIMION-modeled magnetic field vs the measured magnetic field due to SIMION overpredicting fringe field strength. The difference in spectrometer energy resolution is within ∼10% between the modeled and measured fields. We then assess a simple block model, which is commonly used. We find that the simple block model presented here sufficiently captures the predicted as-built spectrometer performance for any application provided that the user can tolerate uncertainties on absolute energy determination up to 5% and errors on energy resolution up to 1%.

Electromagnetic optics↗

Residual elastic strain evolution due to thermal cycling of a ceramic-metal composite (WC-Cu) via high energy X-ray diffraction and analytical modeling

Residual stress, when superimposed with in-service loading, can significantly reduce the lifetime and performance of a component. Ceramic-metal composites are susceptible to residual stresses due to the thermal expansion mismatch of the ceramic and metallic phases. The WC-Cu composite explored in the present study provides a promising combination of thermal conductivity and strength properties, while exhibiting counterintuitive improvements in strength and ductility after thermal cycling. Further, this work quantifies the evolution of the residual elastic strains as a result of processing and cyclic thermal loading in a co-continuous WC-Cu composite through experimental high energy X-ray diffraction and kinetics-based modeling. Both analyses indicate that processing-induced residual tensile stress in the copper phase is relieved upon subsequent thermal cycling, with kinetics modeling revealing the cyclic-dependent nature of the active power-law creep mechanisms. The results indicate that, through stress relaxation, this material system maintains structural stability during thermal cycling. The illustrated kinetics of relaxation can inform general material processors and designers of ceramic-metal composites to minimize detrimental residual stress and improve performance of these material systems.

36 MATERIALS SCIENCE↗

An analytical model of “Electron-Only” magnetic reconnection rates

Abstract “Electron-only” reconnection, which is both uncoupled from the surrounding ions and much faster than standard reconnection, is arguably ubiquitous in turbulence. One critical step to understanding the rate in this novel regime is to model the outflow speed that limits the transport of the magnetic flux, which is super ion Alfvénic but significantly lower than the electron Alfvén speed based on the asymptotic reconnecting field. Here we develop a simple model to determine this limiting speed by taking into account the multiscale nature of reconnection, the Hall-mediated electron outflow speed, and the pressure buildup within the small system. The predicted scalings of rates and various key quantities compare well with fully kinetic simulations and can be useful for interpreting the observations of NASA’s Magnetospheric-Multiscale (MMS) mission and other ongoing missions.

Physics↗