Related papers: Structure refinement from 'Digital' Large Angle Co…
Adaptive finite element methods are a powerful tool to obtain numerical simulation results in a reasonable time. Due to complex chemical and mechanical couplings in lithium-ion batteries, numerical simulations are very helpful to…
Imaging the structure of molecules in transient excited states remains a challenge due to the extreme requirements for spatial and temporal resolution. Ultrafast electron diffraction from aligned molecules (UEDAM) provides atomic resolution…
Upcoming LCLS-II/II-HE operation at repetition rates approaching 1MHz demands on-detector data reduction to manage the resulting data volumes. We present a 2D discrete wavelet transform (DWT) pre-processing algorithm that segments…
Cone-Beam Computed Tomography (CBCT) is essential in medical imaging, and the Feldkamp-Davis-Kress (FDK) algorithm is a popular choice for reconstruction due to its efficiency. However, FDK is susceptible to noise and artifacts. While…
Document rectification in real-world scenarios poses significant challenges due to extreme variations in camera perspectives and physical distortions. Driven by the insight that complex transformations can be decomposed and resolved…
High-fidelity electron microscopy simulations required for quantitative crystal structure refinements face a fundamental challenge: while physical interactions are well-described theoretically, real-world experimental effects are…
Electron backscatter diffraction (EBSD) is a well-established method of characterisation for crystalline materials. This technique can rapidly acquire and index diffraction patterns to provide phase and orientation information about the…
Periodic nanostructures are fundamental elements in optical instrumentation as well as basis structures in integrated electronic circuits. Decreasing sizes and increasing complexity of nanostructures have made roughness a limiting parameter…
Quantum correlations in $\psi(3770) \to D^0\bar{D}^0$ provide unique access to information about strong phase differences. Precision determination of the CKM phase $\gamma/\phi_3$ via $B \to D K$ decays depends upon constraints on charm…
The ground-state 4f fine-structure levels in the intrinsic optical transition gaps between the 2p and 5d orbitals of lanthanide sesquioxides (Ln2O3, Ln=La...Lu) were calculated by a two-way crossover search for the U parameters for DFT+U…
Unsupervised anomaly detection (UAD) is a key ingredient of automated visual inspection in modern manufacturing. The reconstruction-based methods appeal because they have basic architectural design and they process data quickly but they…
Reflection high-energy electron diffraction (RHEED) is a powerful tool for characterizing crystal surface structures. However, the setup geometry leads to distorted and complicated patterns, which are not straightforward to link to the…
Dual-energy computed tomography (DECT) enables material-specific imaging through acquisitions at two different X-ray energy spectra. Material decomposition from DECT data is an ill-posed inverse problem that is highly sensitive to noise…
The application of wide field-of-view detection systems to atom probe experiments emphasizes the importance of careful parameter selection in the tomographic reconstruction of the analysed volume, as the sensitivity to errors rises steeply…
A deep neural network (DNN) model consisting of two hidden layers was proposed for predicting the immediate environments of specific atoms based on X-ray absorption near-edge spectra (XANES). The output layer of the DNN can be adjusted to…
We establish a series of deep convolutional neural networks to automatically analyze position averaged convergent beam electron diffraction patterns. The networks first calibrate the zero-order disk size, center position, and rotation…
Precise and accurate predictions of the two-dimensional (2D) material's fundamental gap are crucial for next-generation flexible electronic and photonic devices. We, therefore, evaluated the predictivity of the GW approach in its several…
In this work we use the heavy-quark-light-diquark picture to study the semileptonic decay $\Lambda_b \to \Lambda_c+l+\bar{\nu}_l$ in the so-called hybrid scheme. Namely, we apply the heavy quark effective theory (HQET) for larger $q^2$…
Accurate charge densities are central to electronic-structure theory, but computing charge-state-dependent densities with density functional theory remains too expensive for large-scale screening and defect workflows. We present ChargeFlow,…
In this study, we applied Bayesian inference for extended X-ray absorption fine structure (EXAFS) to select an appropriate basis from among Fourier, wavelet and advanced Fourier bases, and we extracted a radial distribution function (RDF)…