arXiv subjects

Yuki Uchida

Publications and source records attributed to Yuki Uchida.

7 recordsLinked to original sources

arXiv2026

Deep Learning-Accelerated Dynamic Kinetic Monte Carlo Simulation for Hydrogen Transport in Tungsten

In magnetic confinement fusion reactors, hydrogen plasma irradiation causes material saturation and recycling, where hydrogen released from the tungsten wall significantly impacts the peripheral plasma. Kinetic Monte Carlo (kMC) simulations are essential for investigating the dynamic balance between incident and emitted fluxes at the atomic scale. However, standard kMC frameworks are inadequate for handling realistic material complexities, such as polycrystalline structures and dynamic evolution under irradiation, being computationally bottlenecked by continuous transition parameter updates. Conventionally, evaluating migration barriers in disordered systems (e.g., grain boundaries) relies on computationally prohibitive on-the-fly atomistic calculations like the Nudged Elastic Band (NEB) method. Here, we present a deep learning-accelerated Dynamic kMC framework that eliminates this reliance. Our approach integrates a three-stage deep learning pipeline: a pix2pix model for predicting local 3D potential energy distributions, a U-Net for extracting hydrogen trapping sites, and a 3D-CNN for directly evaluating migration barriers. To achieve macroscopic timescales, we implemented a hierarchical spatial index combined with a differential local-update algorithm operating in O(1) complexity. This architecture restricts recalculations to the immediate vicinity of moving atoms, accelerating updates. Demonstrated on a large-scale realistic polycrystalline tungsten model, the framework successfully reproduces preferential hydrogen trapping along grain boundaries, bridging the gap between atomic-scale accuracy and macroscopic timescales for full-scale plasma-wall interaction simulations.

cond-mat.mtrl-sci↗

arXiv2026

Development of a 3D-CNN-based Prediction Model for Migration Barriers in Plasma-Wall Interactions

Understanding the long-term transport of hydrogen isotopes in plasma-facing materials, such as tungsten, is critical for the steady-state operation of magnetic confinement fusion reactors. However, dynamically updating the transition parameters for kinetic Monte Carlo (kMC) simulations as the atomic structure evolves under continuous plasma irradiation remains a severe computational bottleneck. Conventionally, calculating these migration barriers requires the iterative and computationally expensive Nudged Elastic Band (NEB) method. To overcome this limitation, this article presents a highly efficient surrogate model for predicting migration barriers using a three-dimensional Convolutional Neural Network (3D-CNN), establishing the final component necessary to realize on-the-fly molecular dynamics (MD) and kMC hybrid simulations. The proposed deep learning model takes a two-channel volumetric input, the local three-dimensional potential energy distribution and the voxelized spatial coordinates of the initial and final trapping sites, to directly output the migration barrier as a scalar value. Trained on a comprehensive dataset of tungsten-hydrogen configurations evaluated using the Embedded Atom Method (EAM) potential, the model demonstrated robust predictive accuracy, achieving a Mean Absolute Error (MAE) of 0.124 eV and a high coefficient of determination of 0.890. Furthermore, utilizing GPU acceleration, the inference time is reduced to approximately 2.7 milliseconds per barrier, achieving a speed-up ratio of over 23,000 compared to conventional NEB calculations. This extraordinary acceleration effectively resolves the computational barrier of transition rate evaluations, paving the way for large-scale, dynamic modeling of plasma-wall interactions.

physics.plasm-ph↗

arXiv2025

A characterization of 2-fold torsion classes induced by $\tau$-rigid modules

We introduce $n$-fold torsion(-free) classes of an abelian category. These are a generalization of ordinary torsion(-free) classes in the sense that $1$-fold torsion(-free) classes coincide with torsion(-free) classes. In the category of finitely generated modules over a finite dimensional algebra, we can naturally construct $n$-fold torsion classes from $\tau$-rigid modules. We characterize the $2$-fold torsion classes induced by $\tau$-rigid modules.

math.RT↗

arXiv2005

Kaluza-Klein bubble like structure and celestial sphere in inflationary universe

We consider five dimensional deSitter spacetimes with a deficit angle due to the presence of a closed 2-brane and identify one dimension as an extra dimension. From the four dimensional viewpoint we can see that the spacetime has a structure similar to a Kaluza-Klein bubble of nothing, that is, four dimensional spacetime ends at the 2-brane. Since a spatial section of the full deSitter spacetime has the topology of a sphere, the boundary surface surrounds the remaining four dimensional spacetime, and can be considered as the celestial sphere. After the spacetime is created from nothing via an instanton which we describe, some four dimensional observers in it see the celestial sphere falling down, and will be in contact with a 2-brane attached on it.

hep-th↗

arXiv2004

Twist of stationary black hole/ring in five dimensions

It is unlikely that uniqueness theorem holds for stationary black holes in higher dimensional spacetimes. However, we will examine the possibility that the higher multipole moments classify vacuum solutions uniquely. Especially, we compute the potentials associated with rotational Killing vectors and look at the dependence on the total mass M and angular momentum J. Consequently, there is a potential $σ$ which we cannot write down in terms of integer power of M and J explicitly. This may be regarded as an evidence for the uniqueness using multipole moments generated by $σ$.

gr-qc↗

arXiv2003

Stationary Einstein-Maxwell fields in arbitrary dimensions

The Einstein-Maxwell equations in D-dimensions admitting (D-3) commuting Killing vector fields have been investigated. The existence of the electric, magnetic and twist potentials have been proved. The system is formulated as the harmonic map coupled to gravity on three-dimensional base space generalizing the Ernst system in the four-dimensional stationary Einstein-Maxwell theory. Some classes of the new exact solutions have been provided, which include the electro-magnetic generalization of the Myers-Perry solution, which describes the rotating black hole immersed in a magnetic universe, and the static charged black ring solution.

gr-qc↗

arXiv2003

The scalar perturbation of the higher-dimensional rotating black holes

The massless scalar field in the higher-dimensional Kerr black hole (Myers- Perry solution with a single rotation axis) has been investigated. It has been shown that the field equation is separable in arbitrary dimensions. The quasi-normal modes of the scalar field have been searched in five dimensions using the continued fraction method. The numerical result shows the evidence for the stability of the scalar perturbation of the five-dimensional Kerr black holes. The time scale of the resonant oscillation in the rapidly rotating black hole, in which case the horizon radius becomes small, is characterized by (black hole mass)^{1/2}(Planck mass)^{-3/2} rather than the light-crossing time of the horizon.

gr-qc↗