arXiv subjects

Tianchen Hu

Publications and source records attributed to Tianchen Hu.

15 recordsLinked to original sources

arXiv2026

Assessing Nonlinear Elimination Preconditioning for Trust-Region Phase-Field Fracture

Each quasi-static load step of phase-field fracture is a bound-constrained minimization of a nonconvex, coupled displacement-damage energy under an irreversibility bound on the damage. Monolithic Newton stalls once the nonlinearity localizes at the advancing crack front, and staggered (alternate-minimization) schemes converge slowly there. We present an on-demand nonlinear-elimination preconditioned trust-region Newton method: an energy Steihaug-Toint trust region, a primal-dual active set for irreversibility, and a bound-constrained field-split sweep that eliminates an algebraically-identified "hard set" spanning both fields before each step. The elimination is applied on demand -- triggered by the coupled Newton's own stalling and otherwise skipped -- so the method reduces to monolithic Newton at no surcharge where the step is already healthy. We find the robustness to come from the energy trust region: with that globalization fixed, monolithic Newton already completes every loading history without cutbacks, where residual-merit Newton death-spirals, alternate minimization stalls, and the full-field sweep loses robustness. Against that well-globalized baseline, the on-demand elimination cuts outer nonlinear iterations by 19-25% (brittle) and 17% (ductile), with always-on elimination reaching 26-28% and about $39\%$ at the ductile nucleation step. Measured machine-independently, as a full-mesh-equivalent assembly-work proxy rather than wall-clock, it is competitive with -- not faster than -- monolithic Newton (within about 10%), whereas an always-on sweep adds up to 30%. Nonlinear elimination is thus an iteration-reduction mechanism whose overhead the on-demand gate bounds, with no demonstrated total-work advantage over well-globalized monolithic Newton.

cs.CE↗

arXiv2026

Temperature-driven sodium-ion dynamical-to-static crossover in the zig-zag ordered phase of Na$_{0.5}$CoO$_2$

We employ polarization-resolved Raman spectroscopy combined with first-principles calculations to study the sodium-ion lattice dynamics in a sodium zig-zag ordered cobaltate compound Na$_{0.5}$CoO$_2$. We detect two sodium phonon modes for the first time, and their mode frequencies are consistent with first-principles phonon calculations based on an orthorhombic unit cell. We find that they appear below around $T^*\sim300\pm50$K with large linewidth broadening, much lower than the sodium zig-zag ordering temperature $T_\text{S}\sim460$K, and then narrow at lower temperatures. We interpret the sodium-phonon anomalies occurring at $T^*$ as a dynamical-to-static crossover involving mainly the motion of sodium ions. Our results suggest that the gradual freezing of the sodium ions and the well-defined static sodium-zigzag order below $T^*$ set the stage for the emergent electronic and magnetic orders in the CoO$_2$ layer of Na$_{0.5}$CoO$_2$.

cond-mat.mtrl-sci↗

arXiv2026

Coherent seeding and control of dynamical ferroelectricity by phonon anharmonicity

Optical control of quantum materials has progressed along two separate directions: creating non-equilibrium states inaccessible at equilibrium, and coherently controlling ultrafast dynamics with multi-pulse protocols. Ferroelectricity is especially attractive in this context because its order parameter, macroscopic polarization, directly links inversion-symmetry breaking to functional response. Yet light-induced ferroelectricity has so far been confined to quantum paraelectrics near the ferroelectric instability, where critical fluctuations obscure the formation of a homogeneous ferroelectric state and complicate its deterministic coherent control. Unifying these capabilities -- preparing a symmetry-broken state and then coherently steering its functionality -- remains a central challenge. Here we show that intense terahertz excitation of a soft phonon mode induces a ferroelectric state in centrosymmetric PbTe, a thermoelectric material with strong lattice anharmonicity but no ferroelectric transition at finite temperature. The light-induced symmetry-broken state can be realized up to about 100 K, without relying on local dipolar fluctuations. Experiment and theory together reveal that terahertz-driven anharmonic coupling between degenerate transverse optical phonons underlies this ferroelectric induction. Furthermore, we demonstrate coherent amplification and suppression of the induced polarization via a double-pulse-excitation protocol. These results establish terahertz-driven anharmonic mode coupling as a general strategy for controlling mode-mediated functionalities in quantum materials, opening a route to ultrafast information processing.

cond-mat.mtrl-sci↗

arXiv2026

A Shifted Cohesive-Zone Method for Non-Interface-Fitted Meshes with Applications to Crystal Plasticity

The accurate simulation of interface-dominated solid mechanics problems on complex microstructures remains challenging, particularly when interface-fitted quadrilateral or hexahedral meshes are difficult to generate. We extend the shifted boundary method (SBM) to cohesive-zone formulations and introduce the Shifted Cohesive Zone Method (SCZM), with applications to crystal plasticity on non-interface-fitted meshes. By shifting the enforcement of traction-separation laws from the true interface to a nearby surrogate interface, SCZM enables the use of standard finite element spaces while avoiding the meshing burden associated with interface-conformal discretizations. We present a simplified SCZM weak form defined on the surrogate interface, leading to a straightforward implementation of the nonlinear residual and consistent tangent matrix. The method is implemented in the open-source MOOSE framework and coupled with constitutive models from NEML2, enabling simulations with linear elasticity, multiple traction-separation laws, and history-dependent crystal plasticity. We further develop a geometry-aware, PCA-enhanced point classification algorithm to accelerate surrogate-domain construction. Verification and benchmark studies in two and three dimensions demonstrate that SCZM achieves first-order convergence for non-interface-fitted interface problems and closely matches interface-fitted reference solutions in terms of reaction forces, surface energy release, deformation, stress fields, and damage evolution. These results indicate that SCZM provides an accurate and efficient framework for modeling interface mechanics in complex microstructures without requiring interface-fitted meshes.

math.NA↗

arXiv2026

Efficient high-harmonic generation in van der Waals ferroelectric NbOI$_2$ crystals

Layered NbOX$_2$ ($X=\mathrm{Cl,\,Br,\,I}$), a member of the van der Waals ferroelectric family, exhibits intrinsic ferroelectricity and pronounced nonlinear optical responses, making it a promising candidate for integrated nanophotonics applications. While previous studies have emphasized the material's strong second-order nonlinear responses, higher-order nonlinear responses are still mostly unexplored. This work systematically investigates NbOI$_2$ using high harmonic generation (HHG) spectroscopy. Driven by an intense mid-infrared laser field centered at $\sim4~\mu\mathrm{m}$ wavelength, highly anisotropic odd- and even-order harmonics up to the 16th order are generated at a low peak intensity of $0.4~\mathrm{TW\,cm^{-2}}$, extending beyond the material's bandgap. Both bulk and flake forms of NbOI$_2$ display pronounced harmonic emission from the near-infrared to the deep-ultraviolet spectral region, with a notably high overall conversion efficiency compared to other known materials. Polarization-resolved measurements reveal that even-order harmonics remain aligned with the crystal polar axis regardless of the driving-field orientation, whereas odd-order harmonics are dynamically affected. First-principles calculations suggest that the flat valence band associated with Peierls dimerization enhances HHG efficiency through electron correlation. These findings provide fresh perspectives on HHG in van der Waals ferroelectric materials and facilitate the development of compact and tunable quantum light sources.

cond-mat.mtrl-sci↗

arXiv2023

Pump-induced terahertz conductivity response and peculiar bound state in Mn3Si2Te6

We report the significant enhancement on ultrafast terahertz optical conductivity and the unexpected formation of a polaronic-like state in semiconductor Mn3Si2Te6 at room temperature. With the absorption of pump photons, the low-frequency terahertz photoconductivity spectrum exhibits a significant rise, quickly forming a broad peak and subsequently shifting to higher energy. The short-lived nature of the broad peak, as well as the distribution of optical constants, strongly points towards a transient polaron mechanism. Our study not only provides profound insights into the remarkable photoelectric response of Mn3Si2Te6 but also highlights its significant potential for future photoelectric applications.

cond-mat.mtrl-sci↗

arXiv2023

Room-temperature non-volatile optical manipulation of polar order in a charge density wave

Utilizing ultrafast light-matter interaction to manipulate electronic states of quantum materials is an emerging area of research in condensed matter physics. It has significant implications for the development of future ultrafast electronic devices. However, the ability to induce long-lasting metastable electronic states in a fully reversible manner is a long-standing challenge.Here, by using ultrafast laser excitations, we demonstrate the capability to manipulate the electronic polar states in the charge-density-wavematerial EuTe4 in a non-volatile manner. The process is completely reversible and is achieved at room temperature with an all-optical approach. Each induced non-volatile state brings about modifications to the electrical resistance and second harmonic generation intensity. The results point to layer-specific phase inversion dynamics by which photoexcitation mediates the stacking polar order of the system. Our findings extend the scope of non-volatile all-optical control of electronic states to ambient conditions, and highlight a distinct role of layerdependent phase manipulation in quasi-two-dimensional systems with inherent sublayer stacking orders.

cond-mat.str-el↗

arXiv2023

Time-vectorized numerical integration for systems of ODEs

Stiff systems of ordinary differential equations (ODEs) and sparse training data are common in scientific problems. This paper describes efficient, implicit, vectorized methods for integrating stiff systems of ordinary differential equations through time and calculating parameter gradients with the adjoint method. The main innovation is to vectorize the problem both over the number of independent times series and over a batch or "chunk" of sequential time steps, effectively vectorizing the assembly of the implicit system of ODEs. The block-bidiagonal structure of the linearized implicit system for the backward Euler method allows for further vectorization using parallel cyclic reduction (PCR). Vectorizing over both axes of the input data provides a higher bandwidth of calculations to the computing device, allowing even problems with comparatively sparse data to fully utilize modern GPUs and achieving speed ups of greater than 100x, compared to standard, sequential time integration. We demonstrate the advantages of implicit, vectorized time integration with several example problems, drawn from both analytical stiff and non-stiff ODE models as well as neural ODE models. We also describe and provide a freely available open-source implementation of the methods developed here.

math.NA↗

arXiv2023

On Formulations for Modeling Pressurized Cracks Within Phase-Field Methods for Fracture

Over the past few decades, the phase-field method for fracture has seen widespread appeal due to the many benefits associated with its ability to regularize a sharp crack geometry. Along the way, several different models for including the effects of pressure loads on the crack faces have been developed. This work investigates the performance of these models and compares them to a relatively new formulation for incorporating crack-face pressure loads. It is shown how the new formulation can be obtained either by modifying the trial space in the traditional variational principle or by postulating a new functional that is dependent on the rates of the primary variables. The key differences between the new formulation and existing models for pressurized cracks in a phase-field setting are highlighted. Model-based simulations developed with discretized versions of the new formulation and existing models are then used to illustrate the advantages and differences. In order to analyze the results, a domain form of the J-integral is developed for diffuse cracks subjected to pressure loads. Results are presented for a one-dimensional cohesive crack, steady crack growth, and crack nucleation from a pressurized enclosure.

cs.CE↗

arXiv2023

Phonon promoted charge density wave in topological kagome metal ScV$_{6}$Sn$_{6}$

Charge density wave (CDW) orders in vanadium-based kagome metals have recently received tremendous attention due to their unique properties and intricate interplay with exotic correlated phenomena, topological and symmetry-breaking states. However, the origin of the CDW order remains a topic of debate. The discovery of ScV$_{6}$Sn$_{6}$, a vanadium-based bilayer kagome metal exhibiting an in-plane $\sqrt{3}$ x $\sqrt{3} $ $\textit{R}$30${\deg}$ CDW order with time-reversal symmetry breaking, provides a novel platform to explore the underlying mechanism behind the unconventional CDW. Here, we combine high-resolution angle-resolved photoemission spectroscopy, Raman scattering measurements and density functional theory to investigate the electronic structures and phonon modes of ScV$_{6}$Sn$_{6}$ and their evolution with temperature. We identify topologically nontrivial Dirac surface states and multiple van Hove singularities (VHSs) in the vicinity of the Fermi level, with one VHS near the K point exhibiting nesting wave vectors in proximity to the $\sqrt{3}$ x $\sqrt{3}$ $\textit{R}$30${\deg}$ CDW wave vector. Additionally, Raman measurements indicate a strong intrinsic electron-phonon coupling in ScV$_{6}$Sn$_{6}$, as evidenced by the presence of a two-phonon mode and a large frequency amplitude mode. Our findings highlight the fundamental role of lattice degrees of freedom in promoting the CDW in ScV$_{6}$Sn$_{6}$ and provide important insights into the fascinating correlation phenomena observed in kagome metals.

cond-mat.str-el↗

arXiv2022

Optical spectroscopy and band structure calculations of structural phase transition in the Vanadium-based kagome metal ScV$_6$Sn$_6$

In condensed matter physics, materials with kagome lattice display a range of exotic quantum states, including charge density wave (CDW), superconductivity and magnetism. Recently, the intermetallic kagome metal ScV6Sn6 was discovered to undergo a first-order structural phase transition with the formation of a root3xroot3x3 CDW at around 92 K. The bulk electronic band properties are crucial to understanding the origin of the structural phase transition. Here, we conducted an optical spectroscopy study in combination with band structure calculations across the structural transition. Our findings showed abrupt changes in the optical reflectivity/conductivity spectra as a result of the structural transition, without any observable gap formation behavior. The optical measurements and band calculations actually reveal a sudden change of the band structure after transition. It is important to note that this phase transition is of the first-order type, which distinguishes it from conventional density-wave type condensations. Our results provide an insight into the origin of the structural phase transition in this new and unique kagome lattice.

cond-mat.str-el↗

arXiv2022

Strong nonlinear optical response and transient symmetry switching in Type-II Weyl semimetal $\beta$-WP2

The topological Weyl semimetals with peculiar band structure exhibit novel nonlinear optical enhancement phenomena even for light at optical wavelengths. While many intriguing nonlinear optical effects were constantly uncovered in type-I semimetals, few experimental works focused on basic nonlinear optical properties in type-II Weyl semimetals. Here we perform a fundamental static and time-resolved second harmonic generation (SHG) on the three dimensional Type-II Weyl semimetal candidate $\beta$-WP$_2$. Although $\beta$-WP$_2$ exhibits extremely high conductivity and an extraordinarily large mean free path, the second harmonic generation is unscreened by conduction electrons, we observed rather strong SHG response compared to non-topological polar metals and archetypal ferroelectric insulators. Additionally, our time-resolved SHG experiment traces ultrafast symmetry switching and reveals that polar metal $\beta$-WP$_2$ tends to form inversion symmetric metastable state after photo-excitation. Intense femtosecond laser pulse could optically drive symmetry switching and tune nonlinear optical response on ultrafast timescales although the interlayer coupling of $\beta$-WP$_2$ is very strong. Our work is illuminating for the polar metal nonlinear optics and potential ultrafast topological optoelectronic applications.

cond-mat.mtrl-sci↗

arXiv2022

Revealing the frequency-dependent oscillations in the nonlinear terahertz response induced by the Josephson current

Nonlinear responses of superconductors to intense terahertz radiation has been an active research frontier. Using terahertz pump-terahertz probe spectroscopy, we investigate the c-axis nonlinear optical response of a high-temperature superconducting cuprate. After excitation by a single-cycle terahertz pump pulse, the reflectivity of the probe pulse oscillates as the pump-probe delay is varied. Interestingly, the oscillatory central frequency scales linearly with the probe frequency, a fact widely overlooked in pump-probe experiments. By theoretically solving the nonlinear optical reflection problem on the interface, we show that our observation is well explained by the Josephson-type third-order nonlinear electrodynamics, together with the emission coefficient from inside the material into free space. The latter results in a strong enhancement of the emitted signal whose physical frequency is around the Josephson plasma edge. Our result offers a benchmark for and new insights into strong-field terahertz spectroscopy of related quantum materials.

cond-mat.supr-con↗

arXiv2021

A Variational Phase-Field Model For Ductile Fracture with Coalescence Dissipation

A novel phase-field for ductile fracture model is presented. The model is developed within a consistent variational framework in the context of finite-deformation kinematics. A novel coalescence dissipation introduces a new coupling mechanism between plasticity and fracture by degrading the fracture toughness as the equivalent plastic strain increases. The proposed model is compared with a recent alternative where plasticity and fracture are strongly coupled. Several representative numerical examples motivate specific modeling choices. In particular, a linear crack geometric function provides an "unperturbed" ductile response prior to crack initiation, and Lorentz-type degradation functions ensure that the critical fracture strength remains independent of the phase-field regularization length. In addition, the response of the model is demonstrated to converge with a vanishing phase-field regularization length. The model is then applied to calibrate and simulate a three-point bending experiment of an aluminum specimen with a complex geometry. The effect of the proposed coalescence dissipation coupling on simulations of the experiment is first investigated in a two-dimensional plane strain setting. The calibrated model is then applied to a three-dimensional calculation, where the calculated load-deflection curves and the crack trajectory show excellent agreement with experimental observations. Finally, the model is applied to simulate crack nucleation and growth in a specimen from a recent Sandia Fracture Challenge.

cond-mat.mtrl-sci↗

arXiv2018

A phase-field formulation for dynamic cohesive fracture

We extend a phase-field/gradient damage formulation for cohesive fracture to the dynamic case. The model is characterized by a regularized fracture energy that is linear in the damage field, as well as non-polynomial degradation functions. Two categories of degradation functions are examined, and a process to derive a given degradation function based on a local stress-strain response in the cohesive zone is presented. The resulting model is characterized by a linear elastic regime prior to the onset of damage, and controlled strain-softening thereafter. The governing equations are derived according to macro- and microforce balance theories, naturally accounting for the irreversible nature of the fracture process by introducing suitable constraints for the kinetics of the underlying microstructural changes. The model is complemented by an efficient staggered solution scheme based on an augmented Lagrangian method. Numerical examples demonstrate that the proposed model is a robust and effective method for simulating cohesive crack propagation, with particular emphasis on dynamic fracture.

physics.app-ph↗