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Laser-driven ion and electron acceleration from near-critical density gas targets: Towards high-repetition rate operation in the 1 PW, sub-100 fs laser interaction regime

Ion acceleration from gaseous targets driven by relativistic-intensity lasers was demonstrated as early as the late 1990s, yet most of the experiments conducted to date have involved picosecond-duration, Nd:glass lasers operating at low repetition rate. Here, we present measurements on the interaction of ultraintense ( ≈ 10 20 W cm − 2 , 1 PW ) , ultrashort ( ≈ 70 fs ) Ti:Sa laser pulses with near-critical ( ≈ 10 20 cm − 3 ) helium gas jets, a debris-free targetry with the potential for future compatibility with high ( ≈ 1 Hz ) repetition rate operation. We provide evidence of α particles being forward accelerated up to ≈ 2.7 − MeV energy with a total flux of ≈ 10 11 sr − 1 as integrated over > 0.1 − MeV energies and detected within a 0.5 − mrad solid angle. We also report on on-axis emission of relativistic electrons with an exponentially decaying spectrum characterized by a ≈ 10 − MeV slope, i.e., five times larger than the standard ponderomotive scaling. The total charge of these electrons with energy above 2 MeV is estimated to be of ≈ 1 nC , corresponding to ≈ 0.1 % of the laser drive energy. In addition, we observe the formation of a plasma channel, extending longitudinally across the gas density maximum and expanding radially with time. These results are well captured by large-scale particle-in-cell simulations, which reveal that the detected fast ions most likely originate from reflection off the rapidly expanding channel walls. The latter process is predicted to yield ion energies in the MeV range, which compare well with the measurements. Finally, direct laser acceleration is shown to be the dominant mechanism behind the observed electron energization. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A multiscale model to understand the interface chemistry, contacts, and dynamics during lithium stripping

A reversible Li-metal electrode, paired with a solid electrolyte, is critical for attaining higher energy density and safer batteries beyond the current lithium-ion cells. A stable stripping process may be even harder to attain as the stripping process will remove Li-atoms from the surface, and naturally reduce surface contact area, if not self-corrected by other mechanisms, such as diffusion and plastic deformation under an applied external stack pressure. Here, we capture these mechanisms occurring at multiple length- and time- scales, i.e., interface interactions, vacancy hopping, and plastic deformation, by integrating density functional theory (DFT) simulations, kinetic Monte Carlo (KMC), and continuum finite element method (FEM). By assuming the self-affine nature of multiscale contacts, we predict the steady-state contact area as a function of stripping current density, interface wettability, and stack pressure. We further estimate the exponential increase of overpotential due to contact area loss to maintain the same stripping current density. We demonstrate that a lithiophilic interface requires less stack pressure to reach the same steady-state contact area fraction than a lithiophobic interface. A “tolerable steady-state” contact area loss for maintaining stable stripping is estimated at 20 %, corresponding to a 10 % increase in overpotential. To constrain contact loss within the tolerance, the required stack pressure is 0.1, 0.5, and 2 times the yield strength of lithium metal for three distinct interfaces, lithiophilic Li/lithium oxide(Li2O), Li/lithium lanthanum zirconium oxide(LLZO), and lithiophoblic Li/lithium fluoride(LiF), respectively. The modeling results agree with experiments on the impact of the stack pressure quantitatively, while the discrepancy in stripping rate sensitivity is attributed to the simplifying interface interaction in our simulations. Overall, this multiscale simulation framework demonstrates the importance of electrochemical-mechanical coupling in understanding the dynamics of the Li/SE interface during stripping.

Feng, Min↗

Rossi-alpha Uncertainty Quantification by Analytic, Bootstrap, and Sample Methods to Inform Fitting Best Practices

The prompt neutron period (the negative reciprocal of the prompt neutron decay constant) can be estimated using the Rossi-alpha technique that is predicated on fitting Rossi alpha histograms and of interest in nuclear criticality safety and nonproliferation. The histograms are traditionally fit with a one-exponential model; however, recent work has proposed a two-exponential model to account for reflector induced phenomenon. Until recently, the uncertainty quantification for either model was inadequate (inaccurate and demanded large measurement times). Measurement uncertainty quantification by sample and analytic methods was developed and validated in Ref. The purpose of this transaction is to (i) validate a new bootstrap method by comparing bin-by-bin error bar estimates and (ii) demonstrate how to choose bin widths and reset times to optimize precision and accuracy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sparse Cholesky factorization for solving nonlinear PDEs via Gaussian processes

In recent years, there has been widespread adoption of machine learning-based approaches to automate the solving of partial differential equations (PDEs). Among these approaches, Gaussian processes (GPs) and kernel methods have garnered considerable interest due to their flexibility, robust theoretical guarantees, and close ties to traditional methods. They can transform the solving of general nonlinear PDEs into solving quadratic optimization problems with nonlinear, PDE-induced constraints. However, the complexity bottleneck lies in computing with dense kernel matrices obtained from pointwise evaluations of the covariance kernel, and its partial derivatives, a result of the PDE constraint and for which fast algorithms are scarce. The primary goal of this paper is to provide a near-linear complexity algorithm for working with such kernel matrices. We present a sparse Cholesky factorization algorithm for these matrices based on the near-sparsity of the Cholesky factor under a novel ordering of pointwise and derivative measurements. The near-sparsity is rigorously justified by directly connecting the factor to GP regression and exponential decay of basis functions in numerical homogenization. We then employ the Vecchia approximation of GPs, which is optimal in the Kullback-Leibler divergence, to compute the approximate factor. This enables us to compute ϵ-approximate inverse Cholesky factors of the kernel matrices with complexity O(N log d (N/ϵ)) in space and O(N log 2d (N/ϵ)) in time. We integrate sparse Cholesky factorizations into optimization algorithms to obtain fast solvers of the nonlinear PDE. We numerically illustrate our algorithm’s near-linear space/time complexity for a broad class of nonlinear PDEs such as the nonlinear elliptic, Burgers, and Monge-Ampère equations. In summary, we provide a fast, scalable, and accurate method for solving general PDEs with GPs and kernel methods.

97 MATHEMATICS AND COMPUTING↗

Nonoverlapping Localized Exponential Time Differencing Methods for Diffusion Problems

In this paper, we propose nonoverlapping localized exponential time differencing (ETD) methods for diffusion problems. The model time-dependent diffusion equation is first reformulated on subdomains based on the nonoverlapping domain decomposition, in which Neumann boundary conditions are imposed on the interfaces for the subdomain problems and Dirichlet type conditions are enforced to form a space-time interface problem. After spatial discretization by standard central finite differences and temporal integration with the first or second order ETD methods, the fully discrete interface problem is obtained. Such an interface problem is then solved iteratively either at each time step or over the whole time interval: the former involves the solution of stationary problems in each subdomain at each iteration while the latter involves the solution of time-dependent subdomain problems at each iteration. For both approaches, we prove that localized ETD solutions conserve mass exactly and converge in time to the exact space semidiscrete solution. Numerical experiments in two dimensions are also presented to illustrate the performance of the proposed methods.

Mass conservation↗

Slow scrambling and hidden integrability in a random rotor model

In this work, we analyze the out-of-time-order correlation functions of a solvable model of a large number $\textit{N}$ of $\textit{M}$-component quantum rotors coupled by Gaussian-distributed random, infinite-range exchange interactions. We focus on the growth of commutators of operators at a temperature $\textit{T}$ above the zero temperature quantum critical point separating the spin-glass and paramagnetic phases. In the large $\textit{N, M}$ limit, the squared commutators of the rotor fields do not display any exponential growth of commutators, in spite of the absence of any sharp quasiparticlelike excitations in the disorder-averaged theory. We show that in this limit, the problem is integrable and points out interesting connections to random-matrix theory. At leading order in 1/$\textit{M}$, there are no modifications to the critical behavior but an irrelevant term in the fixed-point action leads to a small exponential growth of the squared commutator. We also introduce and comment on a generalized model involving $\textit{p}$-pair rotor interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Navigating Integration: Key Challenges for Data Centers, Nuclear Stakeholders, and Utility Operators

The rapid expansion of data centers, driven by the exponential growth in data-processing and storage needs, presents significant challenges and opportunities for various stakeholders, including data center developers, nuclear energy providers, and utility companies. Data centers are projected to consume 6.7–12% of United States (U.S.) electricity by 2028, driven by artificial intelligence (AI) and cloud-computing demands. Nuclear energy offers reliability and dispatchable baseload power, but data centers need power now while nuclear still needs time to address siting, fast power ramping, and regulatory hurdles. Utilities must keep pace with the unprecedented acceleration of large load interconnection requests and urgently adapt to high-density loads while maintaining grid stability, reliability, and accelerating interconnection timelines. This report dives into these challenges and proposes key collaboration strategies to streamline data center integration that aligns with recent federal initiatives like America’s AI Action Plan and related executive orders that emphasize the importance of data center growth, nuclear energy expansion, and maintaining a competitive edge in the global AI race.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

Data for "Plasmon-driven exciton formation in a non-equilibrium Fermi liquid"

This repository contains source data for key plots presented in the manuscript "Plasmon-driven exciton formation in a non-equilibrium Fermi liquid." Experimental data that was analyzed in Igor Pro 8 are presented as the .pxp files used to generate individual sub-plots. Electronic spectral function calculations are provided as .txt files, in which consecutive rows refer to the meshgrid x coordinate, y coordinate, spectral function (and, where relevant, axis-projected local angular momentum). We additionally include the Wannier model and DFT-obtained bulk band structure on which the Wannier model was based. Files are named as the number of the figure in the manuscript to which they correspond, with additional details included where necessary. Details of file names: 2a_DOS_Lxz_Ek_KGM_40layer_xnum_800kpt_tot.txt: Density of states, xz-axis projected local orbital angular momentum, for 800 points along the K-Gamma-M path, for a 40-layer model. 2c_composite_y.pxp: ARPES (angle-resolved photoemission spectroscopy) spectra along the ky axis, including both a scan near the Fermi level and a scan at high kinetic energies. 2d_LCP_RCP_diff_Sect_20K.pxp: difference between ARPES constant energy cuts at T=20 K at E0 + 0.23 eV taken with left- and right-circularly polarized photons. The polarization-integrated intensity at the constant energy cut is also included. 2e_DOS_L45_E11pt79_m0pt25to0pt25_xnum_800kpt_tot.txt: Density of states, xz-projected local orbital angular momentum, and corresponding k-points in two dimensions from ab-initio electronic structure calculations for a constant-energy cut. 3a_[x]_[y]ps: ARPES cut under excitation at a fluence of x uJ/cm2, measured y ps after photoexcitation. Measurements were performed at 9 K. 3b_[x]: Energy distribution curves under excitation at a fluence x uJ/cm2 at selected delay times after photoexcitation. 4a_ImSigma_vs_temperature.pxp: Imaginary self energy (extracted from ARPES linewidths) at different energies above E0 for selected lattice temperatures. 4b_EELS_lowE.pxp: Electron energy loss spectrum over a low energy range 5b_diff_55m15.pxp: Difference between momentum-integrated Tr-ARPES traces at 55 uJ/cm2 and 15 uJ/cm2 photoexcitation. Time-dependent intensity at each energy level has been normalized to a maximum of 1 for each individual fluence prior to subtraction. 5d_invtau_at_EX_vs_fluence.pxp: decay rate at a specified energy EX for different excitation fluences, from single exponential fits. NOTE: Analyses based on the Wannier model presented here should cite both the associated Article and this dataset. For all other files in the repository, citing the dataset alone is sufficient.

Acharya, Rishi [University of Illinois] (ORCID:000↗

Hidden quantum criticality and entanglement in quench dynamics

Entanglement exhibits universal behavior near the ground-state critical point where correlations are long ranged and the thermodynamic entropy is vanishing. On the other hand, a quantum quench imparts extensive energy and results in a build up of entropy, hence no critical behavior is expected at long times. In this work, we present a new paradigm in the quench dynamics of integrable spin chains which exhibit a ground-state order-disorder phase transition at a critical line. Specifically, we consider a quench along the critical line which displays a volume-law behavior of the entropy and exponentially decaying correlations; however, we show that quantum criticality is hidden in higher-order correlations and becomes manifest via measures such as the mutual information and logarithmic negativity. Furthermore, we showcase the scale invariance of the Rényi mutual information between disjoint regions as further evidence for genuine critical behavior. We attribute the emergent quantum criticality to the soft mode not getting excited in spite of the quench. Moreover, the results presented here are universal to models whose low-energy or long-wavelength dynamics are well described by a free-fermionic field theory. Our results are amenable to an experimental realization on different quantum simulator platforms, particularly the Rydberg simulators. Published by the American Physical Society 2024

Paul, Sanku↗

Efficient and flexible multirate temporal adaptivity

In this work we present two new families of multirate time step adaptivity controllers, that are designed to work with embedded multirate infinitesimal (MRI) time integration methods for adapting time steps when solving problems with multiple time scales. We compare these controllers against competing approaches on two benchmark problems, showing that the proposed methods offer dramatically improved performance and flexibility. The combination of embedded MRI methods and the proposed controllers enable adaptive simulations of problems with a potentially arbitrary number of time scales, achieving high accuracy while maintaining low computational cost. Additionally, we introduce a new set of embeddings for the family of explicit multirate exponential Runge–Kutta (MERK) methods of orders 2 through 5, resulting in the first-ever fifth-order embedded MRI method. Finally, we compare the performance of a wide range of embedded MRI methods on our benchmark problems to provide guidance on how to select an appropriate MRI method and multirate controller.

97 MATHEMATICS AND COMPUTING↗

Streaming Readout and Data-Stream Processing With ERSAP

With the exponential growth in the volume and complexity of data generated at high-energy physics and nuclear physics research facilities, there is an imperative demand for innovative strategies to process this data in real or near-real-time. Given the surge in the requirement for high-performance computing, it becomes pivotal to reassess the adaptability of current data processing architectures in integrating new technologies and managing streaming data. This paper introduces the ERSAP framework, a modern solution that synergizes flow-based programming with the reactive actor model, paving the way for distributed, reactive, and high performance in data stream processing applications. Additionally, we unveil a novel algorithm focused on time-based clustering and event identification in data streams. The efficacy of this approach is further exemplified through the data-stream processing outcomes obtained from the recent beam tests of the EIC prototype calorimeter at DESY.

Vardan, Gyurjyan↗

DEEP Solar: Data DrivEn Modeling and Analytics for Enhanced System Layer ImPlementation

Realizing the SETO 2030 mission of reducing solar energy costs to 3-5 c/kWh will require innovative enabling research on effective, cost-efficient integration of local PV within distribution systems. However, the intermittent and variable nature of PVs compels operators to impose conservative hosting capacity constraints. Given the extremely high variability of (intermittent and unpredictable) solar energy generation, relaxing the capacity constraints (which are currently around 15%) and achieving 100% or greater integration of renewables will require a fundamental transformation of the power grid via the utilization of exponentially larger amounts of AMI enabled fine-grained data. To address the challenges in increasing the penetration of renewable energy based DERs, this project envisions an Enhanced System Layer (ESL) at the distribution network level that is reliable, cost-effective and scalable to millions of Distributed Energy Resources (DERs)/devices. This includes developing: 1) Transformative and highly scalable machine learning based predictive analytics tools that plug into distribution system planning and provide real-time situational awareness at the distribution level for short and long-term operational planning. The tools will be built using novel data-driven energy models of millions of active nodes with AMI, 2) Adaptive stochastic analysis and optimization algorithms for real-time grid operations, 3) Dynamic Scenario Analysis using parallel Cloudenabled implementations with < 1 minute computational cycle times.

14 SOLAR ENERGY↗

Development of data‐driven exponential integrators with application to modeling of delay photocurrents

Abstract Radiation‐induced photocurrent effects represent a threat to microelectronic components operating in space, manmade and terrestrial radiation environments. Analysis of these threats by circuit simulations requires accurate and computationally efficient compact models. Most existing compact models are based on closed form analytic solutions of the governing equations and require empirical assumptions and idealizations that can limit their validity. In this paper we formulate an alternative numerical, data‐driven approach that learns a compact model from data representative of the type of measurements one can obtain in an experimental facility. To develop the model we start from a generic discrete‐time dynamical system and then use physics knowledge to refine its structure. Numerical studies demonstrate the potential of the model and establish some empirical guidelines for its training.

Bochev, Pavel↗

Differentiable Multiphysics Codes: A Breakthrough Technology for Simulation and Computing

This document summarizes the findings of a strategic planning exercise commissioned by the Weapons Simulation and Computing, Computational Physics (WSC/CP) program at the Lawrence Livermore National Laboratory (LLNL) in FY24. During the year, the committee met with multiple stakeholder communities to gather input, opinions, suggestions and concerns which have been incorporated throughout this document. The key findings from this exercise are summarized: • The development of multiphysics modelling and simulation (mod/sim) codes and software technologies, their deployment on exascale compute platforms, and their broad adoption across the NNSA is a major success of the Advanced Simulation and Computing (ASC) program and the Exascale Computing Project (ECP). Sustained investment in these core technologies is essential. • Today’s state of the art involves running ensembles of O(100K) simulations to perform uncertainty quantification (UQ) and design studies using multiple statistical methods such as Bayesian optimization to understand sensitivities of our models and explore parameterized design spaces. Even with exascale computing, we are practically limited to O(10) parameters in these studies since the number of simulations required to sample the space scales exponentially with the number of design parameters. • The data from these simulation ensembles is increasingly being used to train machine learned (ML) surrogates (or reduced order models, ROMs) which can then be used for optimization or real time design exploration. However, the trained surrogates are still limited in the number of parameters they can represent due to the sampling limitations previously noted. • Augmenting our suite of integrated multiphysics simulation codes, both current and emerging, with the ability to compute gradients (solution derivatives) of arbitrary simulation outputs with respect to (some or all) simulation inputs would be a breakthrough technology, opening the door to a new era of efficient and automated inverse design based on verified and validated mod/sim capabilities. • This capability, which we refer to as differentiable multiphysics codes (DMCs), would revolutionize both UQ and optimization studies by breaking the curse of dimensionality that presently limits our “gradient-free” ensemble based computing approach. A similar breakthrough occurred in the AI/ML community once the ability to compute gradients of arbitrary loss functions using back-propagation became commonplace. Gradient information from the multiphysics codes can also be used to dramatically improve the efficiency and scale of training of ML/ROM surrogates for rapid assessments. • Achieving this in our suite of codes will be a grand challenge, similar to the amount of effort that was required to transition from CPU to GPU computing. It will require buy-in from the entire WSC/CP program and beyond, including all integrated codes, physics and engineering models, third-party library dependencies and performance portability abstractions. It will also require investment in research and development of numerical methods for computing adjoints of coupled physics across multiple adaptively refined moving meshes and of stochastic (Monte Carlo) and mesh free (SPH) methods. • New software and numerical techniques, largely pioneered by the AI/ML community, make this feasible. Chief among these is automatic differentiation (AD), the ability to employ AD at point-wise locations in a physics calculation (instead of traditional black-box approaches) and the ability to perform “back-propagation in time” (or reverse mode AD) for non-linear partial differential equations (PDEs). Fundamentally, the conclusion of this strategic planning exercise is that the time is right to undertake a large scale effort in WSC, centered on the existing integrated codes, to continue the natural evolution of mod/sim in the age of AI/ML. Instead of attempting to replace mod/sim with purely data driven AI/ML models, we believe the key to success is to integrate AI/ML by building on top of the decades of hard-won knowledge and the verified/validated multiphysics modelling capability that is the hallmark of the ASC program.

97 MATHEMATICS AND COMPUTING↗

Implicit–explicit multirate infinitesimal stage-restart methods

Implicit–Explicit (IMEX) methods are flexible numerical time integration methods which solve an initial-value problem (IVP) that is split into stiff and nonstiff processes with the goal of lower computational costs than a purely implicit or explicit approach. A complementary form of flexible IVP solvers are multirate infinitesimal methods for problems split into fast- and slow-changing dynamics, that solve a multirate IVP by evolving a sequence of “fast” IVPs using any suitably accurate algorithm. This article introduces a new class of high-order implicit–explicit multirate methods that are designed for multirate IVPs in which the slow-changing dynamics are further split in an IMEX fashion. This new class, which we call implicit–explicit multirate infinitesimal stage-restart (IMEX-MRI-SR), both improves upon the previous implicit–explicit multirate infinitesimal generalized-structure additive Runge Kutta (IMEX-MRI-GARK) methods by allowing for far easier creation of new embedded methods, and extends multirate exponential Runge Kutta (MERK) methods by allowing the fast-changing dynamics to be nonlinear and the methods to be implicit. We leverage GARK theory to derive conditions for orders of accuracy up to four, and we provide second- and third-order accurate example methods, which are the first known embedded MRI methods with IMEX structure. We then perform numerical simulations demonstrating convergence rates and computational performance in both fixed-step and adaptive-step settings.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Formation of the oxyl’s potential energy surface by the spectral kinetics of a vibrational mode

One of the most reactive intermediates for oxidative reactions is the oxyl radical, an electron-deficient oxygen atom. The discovery of a new vibration upon photoexcitation of the oxygen evolution catalysis detected the oxyl radical at the SrTiO3 surface. The vibration was assigned to a motion of the sub-surface oxygen underneath the titanium oxyl (Ti–O●−) created upon hole transfer to (or electron extraction from) a hydroxylated surface site. Evidence for such an interfacial mode is derived from its spectral shape, which exhibited a Fano resonance—a coupling of a sharp normal mode to continuum excitations. Here, this Fano resonance is utilized to derive precise formation kinetics of the oxyl radical and its associated potential energy surface (PES). From the Fano lineshape, the formation kinetics are obtained from the anti-resonance (the kinetics of the coupling factor), the resonance (the kinetics of the coupled continuum excitations), and the frequency integrated spectrum (the kinetics of the normal mode’s cross-section). All three perspectives yield logistic function growth with a half-rise of 2.3 ± 0.3 ps and a time constant of 0.48 ± 0.09 ps. A non-equilibrium transient associated with photoexcitation is separated from the rise of the equilibrated PES. The logistic function characterizes the oxyl coverage at the very initial stages (t ∼ 0) to have an exponential growth rate that quickly decreases toward zero as a limiting coverage is reached. Such time-dependent reaction kinetics identify a dynamic activation barrier associated with the formation of a PES and quantify it for oxyl radical coverage.

Chemistry↗

Subleading Weingartens

Haar integrals over the unitary group contain subleading terms that are needed for unitarity. We study analogous effects in the time evolution operators of JT gravity and Brownian SYK. In JT gravity with bulk matter we find an explanation for the first sub-leading terms, and in Brownian SYK we find configurations that can explain the full series. An important role is played by slightly off-shell modes that are exponentially amplified by chaos.

2D Gravity↗

A scale-wise analysis of intermittent momentum transport in dense canopy flows

We investigate the intermittent dynamics of momentum transport and its underlying time scales in the near-wall region of the neutrally stratified atmospheric boundary layer in the presence of a vegetation canopy. This is achieved through an empirical analysis of the persistence time scales (periods between successive zero-crossings) of momentum flux events, and their connection to the ejection–sweep cycle. Using high-frequency measurements from the GoAmazon campaign, spanning multiple heights within and above a dense canopy, the analysis suggests that, when the persistence time scales ( $t_p$ ) of momentum flux events from four different quadrants are separately normalized by $\varGamma _{w}$ (integral time scale of the vertical velocity), their distributions $P(t_p/\varGamma _{w})$ remain height-invariant. This result points to a persistent memory imposed by canopy-induced coherent structures, and to their role as an efficient momentum-transporting mechanism between the canopy airspace and the region immediately above. Moreover, $P(t_p/\varGamma _{w})$ exhibits a power-law scaling at times $t_{p}<\varGamma _{w}$ , with an exponential tail appearing for $t_{p} \geq \varGamma _{w}$ . By separating the flux events based on $t_p$ , we discover that around 80 % of the momentum is transported through the long-lived events ( $t_{p} \geq \varGamma _{w}$ ) at heights immediately above the canopy, while the short-lived ones ( $t_{p} < \varGamma _{w}$ ) only contribute marginally ( $\approx 20\,\%$ ). To explain the role of instantaneous flux amplitudes in momentum transport, we compare the measurements with newly developed surrogate data and establish that the range of time scales involved with amplitude variations in the fluxes tends to increase as one transitions from within to above the canopy.

Mechanics↗