First-order Form Research Articles

Mechanical Modulation of S0-S1 and S0-T1 Energy Gaps of 11-cis and All-trans Retinal Schiff Bases.

The retinal Schiff base is a chromophore of significant biological relevance, as it is responsible for capturing sunlight in rhodopsins, which are photoactive proteins found in various living organisms. Additionally, this chromophore is subjected to various mechanical forces in different proteins, which alter its structure and, consequently, its properties. To thoroughly understand the mechanical response limits of the retinal excitation energy, a simple first-order formalism has been developed to quantify the chromophore's optimal mechanical response to applied external forces (on the order of tens of pN). Additionally, the response to larger forces is analyzed by using an algorithm to explore the potential energy surfaces. It can be concluded that the retinal Schiff base exhibits a significant mechanical response and that the optimal forces and displacements involve certain coordinates typically of low frequency, showing differences between the S1 and T1 states, as well as between the 11-cis and all-trans isomers. Additionally, the possibility of mechanically modulating the bond length alternation using mechanical forces is ruled out.

Supertranslations at spatial and timelike infinities in the first-order formalism

Supertranslations at spatial and timelike infinities in the first-order formalism

Three-dimensional SL(2,R) Yang-Mills theory is equivalent to three-dimensional gravity with background sources

Chern-Simons theory with certain gauge groups is known to be equivalent to a first-order formulation of three-dimensional Einstein gravity with a cosmological constant, where both are purely topological. Here, we extend this correspondence to theories with dynamical degrees of freedom. As an example, we show that three-dimensional Yang-Mills theory with gauge group SL(2,R) is equivalent to the first-order formulation of three-dimensional Einstein gravity with no cosmological constant coupled to a background stress-energy tensor density (which breaks the diffeomorphism symmetry). The local degree of freedom of three-dimensional Yang-Mills theory corresponds to degenerate “gravitational waves” in which the metric is degenerate and the spin connection is no longer completely determined by the metric. Turning on a cosmological constant produces the third-way (for Λ<0) or the imaginary third-way (for Λ>0) gauge theories with a background stress-energy tensor density. Published by the American Physical Society 2025

Deep Penetration of Shear Deformation in Ferritic Stainless Steel via Differential Speed Rolling Considering Contact Condition

In order to effectively process crystal-structured materials like metal, knowledge of the working slip system during plastic deformation is necessary. Rolling is a widely utilized industrial processing method, and understanding its inherent characteristics can optimize the process and help achieve the desired microstructure and texture. One key aspect worth investigating is how shear deformation penetrates through the material thickness, particularly in relation to contact conditions. Analyzing slip system activity provides valuable insights into the deep penetration of shear deformation. This is achieved by examining orientation gradients derived from inverse pole figure maps obtained through electron backscatter diffraction. The rotation axis is extracted and compared with that obtained from calculation using simple first-order self-consistent formulation. The analysis was carried out on grains with 001<11¯0>, 001<1¯1¯0>, 111<11¯0>, 111<12¯1>, 111<01¯1>, and 111<1¯1¯2> to see the activity of slip systems of 112<111> when plane strain or plane + shear mode is in operation. The rotation axis from the experiment is in agreement with that from the calculation, which confirmed the activity of the well-known 112<111> slip systems. It was found that 112<111> was active in solo in grain with {111}//ND orientation along the γ-fiber during the early stage of differential speed rolling (DSR). Furthermore, it was revealed that the 112<111> slip system was found active when shear deformation mode was in operation at the center of the sheet, which can only be found in the case of a sample with no lubrication. Conclusion: The current study shows that deep penetration was achieved under contact conditions where no lubrication was used during DSR by revealing the activity of the 112<111> slip system under the shear mode of deformation.

Scattering and Bound Observables for Spinning Particles in Kerr Spacetime with Generic Spin Orientations.

We derive the radial action of a spinning probe particle in Kerr spacetime from the worldline formalism in the first-order form, focusing on linear in spin effects. We then develop a novel covariant Dirac bracket formalism to compute the impulse and the spin kick directly from the radial action, generalizing some conjectural results in the literature and providing ready-to-use expressions for amplitude calculations with generic spin orientations. This allows, for the first time, to find new covariant expressions for scattering observables in the probe limit up to O(G^{6}s_{1}s_{2}^{4}). Finally, we use the action-angle representation to compute the fundamental frequencies for generic bound orbits, including the intrinsic spin precession, the periastron advance, and the precession of the orbital plane.

Bioremediation by Brevibacterium sediminis: a prospective pyrene degrading agent to eliminate environmental polycyclic aromatic hydrocarbons.

Environmental abuses and subsequent array of health hazards by petroleum products have emerged as a global concern that warrants proper remediation. Pyrene (PYR), a polycyclic aromatic hydrocarbon, is a xenobiotic by-product during crude petroleum processing. Biodegradation potential of two bacterial isolates (MK4 and MK9) of Brevibacterium sediminis from oil contaminated sites was explored. MK4 and MK9 could degrade PYR up to 23 and 59% (1000 mg.L- 1), respectively. A first-order formalism with the rate constant for MK4 and MK9 were found to be 0.022 ± 0.001 and 0.081 ± 0.005 day- 1, respectively with the corresponding half life period of 31.4 ± 1.4 and 8.6 ± 0.60days respectively. Both the isolates produce biosurfactants as established by drop collapse assay, oil spreading and emulsification activity studies. Decrease in pH, change in absorbance (bacterial growth), and catechol formation support adaptation capability of the isolates to degrade PYR by using it as a source of carbon. PYR ring cleavage was induced by the ring hydroxylating dioxogenase enzyme present in the strains, as identified by PCR assay. In silico analyses of the PYR degrading enzyme revealed its higher binding affinity (-7.6 kcal.mol- 1) and stability (Eigen value:1.655763 × 10- 04) to PYR, as further supported by other thoeroretical studies. MK9 strain was more efficient than the MK4 strain in PYR degradation. Studies gain its prominence as it reports for the first time on the aptitude of B. sediminis as novel PYR-degrading agent that can efficiently be used in the bioremediation of petroleum product pollution with a greener approach.

Well-balanced High-order Finite Difference Weighted Essentially Nonoscillatory Schemes for a First-order Z4 Formulation of the Einstein Field Equations

We develop a new class of high-order accurate well-balanced finite difference (FD) weighted essentially nonoscillatory (WENO) methods for numerical general relativity (GR), which can be applied to any first-order reduction of the Einstein field equations, even if nonconservative terms are present. We choose the first-order nonconservative Z4 formulation of the Einstein equations, which has a built-in cleaning procedure that accounts for the Einstein constraints and that has already shown its ability in keeping stationary solutions stable over long timescales. By introducing auxiliary variables, the vacuum Einstein equations in first-order form constitute a partial differential equation system of 54 equations that is naturally nonconservative. We show how to design FD-WENO schemes that can handle nonconservative products. Different variants of FD WENO are discussed, with an eye to their suitability for higher-order accurate formulations for numerical GR. We successfully solve a set of fundamental tests of numerical GR with up to ninth-order spatial accuracy. Due to their intrinsic robustness, flexibility, and ease of implementation, FD-WENO schemes can effectively replace traditional central finite differencing in any first-order formulation of the Einstein field equations, without any artificial viscosity. When used in combination with well-balancing, the new numerical schemes preserve stationary equilibrium solutions of the Einstein equations exactly. This is particularly relevant in view of the numerical study of the quasi-normal modes of oscillations of relevant astrophysical sources. In conclusion, general relativistic high-energy astrophysics could benefit from this new class of numerical schemes and the ecosystem of desirable capabilities built around them.

Adaptive control scheme for cooperative transport systems navigation under uncertainty

Adaptive control scheme for cooperative transport systems navigation under uncertainty

Modal testing and analysis of high-rise laminated timber building

To enhance the design and research work on dynamic characteristics of high-rise laminated timber buildings, this paper carried out a modal analysis study on one of the largest laminated timber buildings in China. The finite element calculating modal analysis was carried out using SAP2000 software, and the experimental modal analysis of the building was carried out via environmental excitation. The calculating modal results and the experimental modal results showed good agreement. The calculating modal frequency values were generally lower than the experimental modal frequency values. The natural frequencies obtained by the two methods appeared in the Y-direction first-order bending mode and had values of 2.03 and 2.5 Hz, respectively. The corresponding frequencies of the first-order torsional mode were 2.82 and 3.25 Hz, respectively. The distribution of the CLT core tube along the length direction of the building has an impact on the vibration mode. The six-story part shows the second-order bending form, while the four-story section only shows the first-order bending form. The above work provides a case study and reference for the simulation and modal analysis of high-rise laminated timber buildings, demonstrating the critical role of the core tube structure in such wooden buildings. This insight contributes to a better understanding of structural performance and design considerations in similar projects.

Two-relaxation-time regularized lattice Boltzmann model for convection-diffusion equation with spatially dependent coefficients

Two-relaxation-time regularized lattice Boltzmann model for convection-diffusion equation with spatially dependent coefficients

High-order discontinuous Galerkin schemes with subcell finite volume limiter and adaptive mesh refinement for a monolithic first-order BSSNOK formulation of the Einstein-Euler equations

High-order discontinuous Galerkin schemes with subcell finite volume limiter and adaptive mesh refinement for a monolithic first-order BSSNOK formulation of the Einstein-Euler equations

Renormalization of the Einstein–Cartan theory in first-order form

Renormalization of the Einstein–Cartan theory in first-order form

TransFOL: A Logical Query Model for Complex Relational Reasoning in Drug-Drug Interaction.

Predicting drug-drug interaction (DDI) plays a crucial role in drug recommendation and discovery. However, wet lab methods are prohibitively expensive and time-consuming due to drug interactions. In recent years, deep learning methods have gained widespread use in drug reasoning. Although these methods have demonstrated effectiveness, they can only predict the interaction between a drug pair and do not contain any other information. However, DDI is greatly affected by various other biomedical factors (such as the dose of the drug). As a result, it is challenging to apply them to more complex and meaningful reasoning tasks. Therefore, this study regards DDI as a link prediction problem on knowledge graphs and proposes a DDI prediction model based on Cross-Transformer and Graph Convolutional Networks (GCNs) in first-order logical query form, TransFOL. In the model, a biomedical query graph is first built to learn the embedding representation. Subsequently, an enhancement module is designed to aggregate the semantics of entities and relations. Cross-Transformer is used for encoding to obtain semantic information between nodes, and GCN is used to gather neighbour information further and predict inference results. To evaluate the performance of TransFOL on common DDI tasks, we conduct experiments on two benchmark datasets. The experimental results indicate that our model outperforms state-of-the-art methods on traditional DDI tasks. Additionally, we introduce different biomedical information in the other two experiments to make the settings more realistic. Experimental results verify the strong drug reasoning ability and generalization of TransFOL in complex settings.

First-order formalism for β functions in bosonic sigma models from supersymmetry breaking

We consider the renormalization group flow equation for the two-dimensional sigma models with the Kähler target space. The first-order formulation allows us to treat perturbations in these models as current-current deformations. We demonstrate, however, that the conventional first-order formalism misses certain anomalies in the measure, and should be amended. We reconcile beta functions obtained within the conformal perturbation theory for the current-current deformations with traditional “geometric” results obtained in the background field methods, in this way resolving the peculiarities pointed out in O. Gamayun [Peculiarities of beta functions in sigma models, ]. The result is achieved by the supersymmetric completion of the first-order sigma model. Published by the American Physical Society 2024

Multi-Symplectic Method for the Two-Component Camassa–Holm (2CH) System

In this paper, the multi-symplectic formulations of the two-component Camassa–Holm system are presented. Both the multi-symplectic structure and two local conservation laws of the generalized two-component Camassa–Holm model are proposed for its first-order canonical form. Then, combining the Fourier pseudo-spectral method in the spatial domain with the midpoint method in the time dimension, the multi-symplectic Fourier pseudo-spectral scheme is constructed for the first-order canonical form. Meanwhile, the discrete scheme of the residuals of the multi-symplectic structure and two local conservation laws are also provided. By using the multi-symplectic Fourier pseudo-spectral scheme, the evolution of one- and two-soliton solutions for the generalized two-component Camassa–Holm model is regained. The structure-preserving properties and the reliability of the numerical scheme are illustrated by the tiny numerical residuals (less than 3.5 × 10−8) of the conservation laws as well as the tiny numerical variations (less than 1 × 10−9) of the amplitudes and the propagating velocities of the solitons.

Implementation and Linearization of a Coupled Panel and Vortex Particle Method in State-Space Form

This paper describes the implementation and linearization of a coupled panel and vortex particle method in a state-variable form. More specifically, the coupled panel and vortex particle dynamics are formulated as a nonlinear system of ordinary differential equations in first-order form to be self-contained and inherently linearizable. Linearization of this coupled panel and vortex particle method is demonstrated via finite differencing and a novel analytical linearization technique to yield a linear time-invariant representation. The code is implemented in MATLAB® and validated against an open-source aerodynamic solver for a fixed wing in both stationary and unsteady conditions. The linearized models are verified against the nonlinear dynamics both in the time and frequency domains. Linearized models accurately represent the wake dynamics about the equilibrium condition for moderate amplitude inputs and for input frequencies covering the typical frequency range of flight dynamics and flight controls, i.e., 0.3–30 rad/s. Analytical linearization is shown to abate the cost of linearization over perturbation methods by O(n2), where n is the total number of states of the system. Linearized models of the coupled panel and vortex particle dynamics have applications in the flight dynamics of both fixed- and rotary-wing vehicles, where these dynamics can be used to augment the rigid-body dynamics. The coupled rigid-body and wake dynamics can be leveraged to assess the stability, response characteristics, and handling qualities of vehicles experiencing aerodynamic interactions between rotors, wings, and/or obstacles.

Multiscale formulation for materials composed by a saturated porous matrix and solid inclusions

Multiscale formulation for materials composed by a saturated porous matrix and solid inclusions

Accuracy assessment of Beddoes-Leishman and IAG dynamic stall models for wind turbine applications

The study presents a systematic comparison between two of the most-credited dynamic stall models for wind turbine applications: the original Beddoes-Leishman (BL) model and the newly-developed IAG. The scope of such comparison, supported by experimental data, is to shed new light on the actual suitability of current dynamic stall models for their integration into modern wind turbine simulation codes, and on the best practices to calibrate them. Two different strategies are followed for the calibration of the BL model: 1) standard one, compliant with common practices found in the literature; 2) a physics-oriented one, focusing on the constants defining the dynamic stall onset as well as on the parameters governing the duration of the vortex shedding process. The IAG model, initially developed based on the first-order BL formulation and recently improved by reducing the number of constants and removing compressibility effects, is applied instead in its standard form only. The two models are compared across a range of oscillation mean angles, amplitudes, and reduced frequencies. Results demonstrate that the original BL model, although with a challenging calibration process, when properly tuned, can provide a very good description of aerodynamic unsteady loads. While showing consistent results, the IAG formulation appears to be more robust, as it employs fewer constants and extracts most of the needed information directly from the input polar data. The comparison between the calibrated BL and IAG models highlights critical modelling aspects, the computation of drag and determination of the stall onset above all, offering valuable insights for the future development of dynamic stall formulations.

Gravitating kinks with asymptotically flat metrics

In this work, we consider a two-dimensional (2D) dilaton gravity model where the dilaton kinetic term is modified by an additional derivative coupling term . In the case with a canonical scalar matter field, the field equations of this model have a simple first-order formalism, from which exact static kink solutions can be constructed. The novelty of these solutions is that the corresponding metric can be asymptotically flat rather than asymptotically anti-de Sitter. The linear stability and the localization of scalar matter fields are also studied. It was found that the solutions are stable against small linear perturbations, and the localization of scalar matter fields can be realized by introducing scalar-kink interactions.

Necessity of quantizable geometry for quantum gravity

In this paper, Dirac Quantization of 3D gravity in the first-order formalism is attempted where instead of quantizing the connection and triad fields, the connection and the triad 1-forms themselves are quantized. The exterior derivative operator on the space of differential forms is treated as the ‘time’ derivative to compute the momenta conjugate to these 1-forms. This manner of quantization allows one to compute the transition amplitude in 3D gravity which has a close, but not exact, match with the transition amplitude computed via LQG techniques. This inconsistency is interpreted as being due to the non-quantizable nature of differential geometry.