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At least 1,099 records · Page 61

Non-linear resonance of fluids in a crystal growth cavity

In the microgravity environment, the effect of gravity on fluid motion is much reduced. Hence, secondary effects such as vibrations, jitters, surface tension, capillary effects, and electromagnetic forces become the dominant mechanism of fluid convection. Numerous studies have been conducted to investigate fluid behavior in microgravity with the ultimate goal of developing processes with minimal influence from convection. Industrial applications such as crystal growth from solidification of melt and protein growth for pharmatheutical application are just a few examples of the vast potential benefit that can be reaped from material processing in space. However, a space laboratory is not immune from all undesirable disturbances and it is imperative that such disturbances be well understood, quantifiable, and controlled. Non-uniform and transient accelerations such as vibrations, jitters, and impulsive accelerations exist as a result of crew activities, space vehicle maneuvering, and the operations of on-board equipment. Measurements conducted on-board a U.S. Spacelab showed the existence of vibrations in the frequency range of 1 to 100 Hz with a dominant mode of 17 Hz and harmonics of 54 Hz. The observed vibration is not limited to any coordinate plane but exists in all directions. Similar situation exists on-board the Russian MIR space station. Due to the large structure of its design, the future International Space Station will have its own characteristic vibration spectrum. It is well known that vibration can exert substantial influence on heat and mass transfer processes, thus hindering any attempts to achieve a diffusion-limited process. Experiments on vibration convection for a liquid-filled enclosure under one-g environment showed the existence of different flow regimes as vibration frequency and intensity changes. Results showed the existence of a resonant frequency, near which the enhancement is the strongest, and the existence of a high frequency asymptote. Numerical simulations of vibration convection have been conducted by Yurkov, Fu and Shieh, and by Wang. These analyses considered a two-dimensional air-filled cell under weightlessness condition and showed results similar to those of the experiments. It is not yet known whether resonance convection can be triggered by jitter alone or whether it requires the interaction of jitter with other convective forces in low gravity. An order of magnitude analysis, however, can be used to show the dependence of the resonance frequency on the fluid Prandtl number. Even though the onset of resonance convection may depend on other factors, results indicates that fluids with low Prandtl numbers are more susceptible to resonance than those with high Prandtl numbers. The current study is aimed at gaining additional insights to this problem using germanium as working fluid. Germanium was chosen for this analysis because of its common usage in solidification process and its relatively low Prandtl number (Pr = 0.02).

Wang, Francis C.↗

A physics-constrained neural network for multiphase flows

The present study develops a physics-constrained neural network (PCNN) to predict sequential patterns and motions of multiphase flows (MPFs), which includes strong interactions among various fluid phases. To predict the order parameters, which locate individual phases in the future time, a neural network (NN) is applied to quickly infer the dynamics of the phases by encoding observations. The multiphase consistent and conservative boundedness mapping algorithm (MCBOM) is next implemented to correct the predicted order parameters. This enforces the predicted order parameters to strictly satisfy the mass conservation, the summation of the volume fractions of the phases to be unity, the consistency of reduction, and the boundedness of the order parameters. Then, the density of the fluid mixture is updated from the corrected order parameters. Finally, the velocity in the future time is predicted by another NN with the same network structure, but the conservation of momentum is included in the loss function to shrink the parameter space. The proposed PCNN for MPFs sequentially performs (NN)-(MCBOM)-(NN), which avoids nonphysical behaviors of the order parameters, accelerates the convergence, and requires fewer data to make predictions. Numerical experiments demonstrate that the proposed PCNN is capable of predicting MPFs effectively.

Mechanics↗

Electron-scale current sheets and energy dissipation in 3D kinetic-scale plasma turbulence with low electron beta

ABSTRACT Three-dimensional kinetic-scale turbulence is studied numerically in the regime where electrons are strongly magnetized (the ratio of plasma species pressure to magnetic pressure is βe = 0.1 for electrons and βi = 1 for ions). Such a regime is relevant in the vicinity of the solar corona, the Earth’s magnetosheath, and other astrophysical systems. The simulations, performed using the fluid-kinetic spectral plasma solver (sps) code, demonstrate that the turbulent cascade in such regimes can reach scales smaller than the electron inertial scale, and results in the formation of electron-scale current sheets (ESCS). Statistical analysis of the geometrical properties of the detected ESCS is performed using an algorithm based on the medial axis transform. A typical half-thickness of the current sheets is found to be on the order of electron inertial length or below, while their half-length falls between the electron and ion inertial length. The pressure–strain interaction, used as a measure of energy dissipation, exhibits high intermittency, with the majority of the total energy exchange occurring in current structures occupying approximately 20 per cent of the total volume. Some of the current sheets corresponding to the largest pressure–strain interaction are found to be associated with Alfvénic electron jets and magnetic configurations typical of reconnection. These reconnection candidates represent about 1 per cent of all the current sheets identified.

79 ASTRONOMY AND ASTROPHYSICS↗

Recurrent convolutional neural networks for modeling nonadiabatic dynamics of quantum-classical systems

Recurrent neural networks (RNNs) have recently been extensively applied to model the time evolution in fluid dynamics, weather predictions, and even chaotic systems due to their ability to capture temporal dependencies and sequential patterns in data. Here we present an RNN model based on convolutional neural networks for modeling the nonlinear nonadiabatic dynamics of hybrid quantum-classical systems. The dynamical evolution of the hybrid systems is governed by equations of motion for classical degrees of freedom and von Neumann equation for electrons. The Physics-Aware Recurrent Convolution (PARC) neural network structure incorporates a differentiator-integrator architecture that inductively models the spatiotemporal dynamics of generic physical systems. Here, we apply our RNN approach to learn the space-time evolution of a one-dimensional semiclassical Holstein model after an interaction quench. For shallow quenches (small changes in electron-lattice coupling), the deterministic dynamics can be accurately captured using a single-CNN-based recurrent network. In contrast, deep quenches induce chaotic evolution, making long-term trajectory prediction significantly more challenging. Nonetheless, we demonstrate that the PARC-CNN architecture can effectively learn the statistical climate of the Holstein model under deep-quench conditions.

Holstein model↗

3D Hydrodynamics of Pre-supernova Outbursts in Convective Red Supergiant Envelopes

Eruptive mass loss likely produces the energetic outbursts observed from some massive stars before they become core-collapse supernovae (SNe). The resulting dense circumstellar medium may also cause the subsequent SNe to be observed as Type IIn events. The leading hypothesis of the cause of these outbursts is the response of the envelope of the red supergiant (RSG) progenitor to energy deposition in the months to years prior to collapse. Early theoretical studies of this phenomenon were limited to 1D, leaving the 3D convective RSG structure unaddressed. Using FLASH's hydrodynamic capabilities, we explore the 3D outcomes by constructing convective RSG envelope models and depositing energies less than the envelope binding energies on timescales shorter than the envelope dynamical time deep within them. We confirm the 1D prediction of an outward-moving acoustic pulse steepening into a shock, unbinding the outermost parts of the envelope. However, we find that the initial 2–4 km s -1 convective motions seed the intrinsic convective instability associated with the high-entropy material deep in the envelope, enabling gas from deep within the envelope to escape and increasing the amount of ejected mass compared to an initially "quiescent" envelope. The 3D models reveal a rich density structure, with column densities varying by ≈10× along different lines of sight. Our work highlights that the 3D convective nature of RSG envelopes impacts our ability to reliably predict the outburst dynamics, the amount, and the spatial distribution of the ejected mass associated with deep energy deposition.

79 ASTRONOMY AND ASTROPHYSICS↗

Numerical study of variable density turbulence interaction with a normal shock wave

Accurate numerical simulations of shock–turbulence interaction (STI) are conducted with a hybrid monotonicity-preserving–compact-finite-difference scheme for a detailed study of STI in variable density flows. Theoretical and numerical assessments of data confirm that all turbulence scales as well as the STI are well captured by the computational method. Linear interaction approximation (LIA) convergence tests conducted with the shock-capturing simulations exhibit a similar trend of converging to LIA predictions to shock-resolving direct numerical simulations (DNS). The effects of density variations on STI are studied by comparing the results corresponding to an upstream multi-fluid mixture with the single-fluid case. Here the results show that for the current parameter ranges, the turbulence amplification by the normal shock wave is much higher and the reduction in turbulence length scales is more significant when strong density variations exist. Turbulent mixing enhancement by the shock is also increased and stronger mixing asymmetry in the postshock region is observed when there is significant density variation. The turbulence structure is strongly modified by the shock wave, with a differential distribution of turbulent statistics in regions having different densities. The dominant mechanisms behind the variable density STI are identified by analysing the transport equations for the Reynolds stresses, vorticity, normalized mass flux and density specific volume covariance.

42 ENGINEERING↗

Effect of gamma irradiation on hyaluronic acid and dipalmitoylphosphatidylcholine (DPPC) interaction

DPPC lipids are the major component constituting the biological membrane, and their importances in various physiological functions are well documented. Hyaluronic acid (HA) in the synovial joint fluid functions as a lubricant, shock absorber and a nutrient carrier. Gamma irradiation has also been found to be effective in depolymerizing and cleaving molecular chains related to free radicals, thus extends with changes in chemical composition as well as its physiological functions. This research are conducted to investigate the hyaluronic acid (HA) and 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DPPC) interaction in form of vesicles and its effect to gamma radiation. The size of DPPC vesicles formed via gentle hydration method is between 100 to 200 nm in diameter. HA (0.1, 0.5 and 1.0 mg/ml) was added into the vesicles and characterized by using TEM to determine vesicle size distributions, fusion and rupture of DPPC structure. The results demonstrated that the size of the vesicles approximately between 200 to 300 nm which caused by vesicles fusion with HA and formed even larger vesicles. After being irradiated by 0 to 200 Gy, the size of vesicles decreased as HA was degraded. To elucidate the mechanism of these effects, FTIR spectra were carried out and have shown that at absorption bands at 1700–1750 cm{sup −1} due to formation of carboxylic acid and leads to alteration of HA structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Transformation between elastic dipoles, quadrupoles, octupoles, and hexadecapoles driven by surfactant self-assembly in nematic emulsion

Emulsions comprising isotropic fluid drops within a nematic host are of interest for applications ranging from biodetection to smart windows, which rely on changes of molecular alignment structures around the drops in response to chemical, thermal, electric, and other stimuli. We show that absorption or desorption of trace amounts of common surfactants can drive continuous transformations of elastic multipoles induced by the droplets within the uniformly aligned nematic host. Out-of-equilibrium dynamics of director structures emerge from a controlled self-assembly or desorption of different surfactants at the drop-nematic interfaces, with ensuing forward and reverse transformations between elastic dipoles, quadrupoles, octupoles, and hexadecapoles. We characterize intertransformations of droplet-induced surface and bulk defects, probe elastic pair interactions, and discuss emergent prospects for fundamental science and applications of the reconfigurable nematic emulsions.

36 MATERIALS SCIENCE↗

Electron heating in superhigh Mach number shocks

Fluid and MHD models, as well as direct extrapolation of the earth's bow shock measurements in the high Mach number (HMN) range to the superhigh Mach number (SHMN) range predict that the downstream electron pressure is only a negligible fraction of the Rankine-Hugoniot downstream pressure. Following Alfven, plasma physics experimental-theoretical data combined with magnetospheric observations were used to probe the physics of the SHMN shocks. It is shown that inclusion of proper plasma physics considerations in the interaction of the reflected and transmitted ions and the electrons at the 'foot' of the shock leads to the surprising result that electron heating can dominate in the SHNM range. A stationary model of the shock structure is derived and shown to be the result of extrapolation of the high Mach number shock physics wiht incorporation of collective interactions at the foot.

Papadopoulos, K.↗

Magnetohydrodynamic-particle-in-cell method for coupling cosmic rays with a thermal plasma: application to non-relativistic shocks

We formulate a magnetohydrodynamic-particle-in-cell (MHD-PIC) method for describing the interaction between collisionless cosmic ray (CR) particles and a thermal plasma. The thermal plasma is treated as a fluid, obeying equations of ideal MHD, while CRs are treated as relativistic Lagrangian particles subject to the Lorentz force. Backreaction from CRs to the gas is included in the form of momentum and energy feedback. In addition, we include the electromagnetic feedback due to CR-induced Hall effect that becomes important when the electron–ion drift velocity of the background plasma induced by CRs approaches the Alfvén velocity. Our method is applicable on scales much larger than the ion inertial length, bypassing the microscopic scales that must be resolved in conventional PIC methods, while retaining the full kinetic nature of the CRs. We have implemented and tested this method in the Athena MHD code, where the overall scheme is second-order accurate and fully conservative. As a first application, we describe a numerical experiment to study particle acceleration in non-relativistic shocks. Using a simplified prescription for ion injection, we reproduce the shock structure and the CR energy spectra obtained with more self-consistent hybrid-PIC simulations, but at substantially reduced computational cost. We also show that the CR-induced Hall effect reduces the growth rate of the Bell instability and affects the gas dynamics in the vicinity of the shock front. As a step forward, we are able to capture the transition of particle acceleration from non-relativistic to relativistic regimes, with momentum spectrum f(p)∝p{sup −4} connecting smoothly through the transition, as expected from the theory of Fermi acceleration.

79 ASTRONOMY AND ASTROPHYSICS↗

DNA origami protection and molecular interfacing through engineered sequence-defined peptoids

DNA nanotechnology has established approaches for designing programmable and precisely controlled nanoscale architectures through specific Watson−Crick base-pairing, molecular plasticity, and intermolecular connectivity. In particular, superior control over DNA origami structures could be beneficial for biomedical applications, including biosensing, in vivo imaging, and drug and gene delivery. However, protecting DNA origami structures in complex biological fluids while preserving their structural characteristics remains a major challenge for enabling these applications. Here, we developed a class of structurally well-defined peptoids to protect DNA origamis in ionic and bioactive conditions and systematically explored the effects of peptoid architecture and sequence dependency on DNA origami stability. The applicability of this approach for drug delivery, bioimaging, and cell targeting was also demonstrated. A series of peptoids (PE1–9) with two types of architectures, termed as “brush” and “block,” were built from positively charged monomers and neutral oligo-ethyleneoxy monomers, where certain designs were found to greatly enhance the stability of DNA origami. Through experimental and molecular dynamics studies, we demonstrated the role of sequence-dependent electrostatic interactions of peptoids with the DNA backbone. We showed that octahedral DNA origamis coated with peptoid (PE2) can be used as carriers for anticancer drug and protein, where the peptoid modulated the rate of drug release and prolonged protein stability against proteolytic hydrolysis. Finally, we synthesized two alkyne-modified peptoids (PE8 and PE9), conjugated with fluorophore and antibody, to make stable DNA origamis with imaging and cell-targeting capabilities. Our results demonstrate an approach toward functional and physiologically stable DNA origami for biomedical applications.

36 MATERIALS SCIENCE↗

NASA-UVA Light Aerospace Alloy and Structures Technology program (LA2ST)

The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites, and thermal gradient structures in collaboration with NASA-Langley researchers. The general aim is to produce relevant data and basic understanding of material mechanical response, environment/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; new solid and fluid mechanics analyses; measurement and modeling advances; and a pool of educated students for aerospace technologies. Specific technical objectives are presented for each of the following research projects: time-temperature dependent fracture in advanced wrought ingot metallurgy, and spray deposited aluminum alloys; cryogenic temperature effects on the deformation and fracture of Al-Li-Cu-In alloys; effects of aging and temperature on the ductile fracture of AA2095 and AA2195; mechanisms of localized corrosion in alloys 2090 and 2095; hydrogen interactions in aluminum-lithium alloys 2090 and selected model alloys; mechanisms of deformation and fracture in high strength titanium alloys (effects of temperature and hydrogen and effects of temperature and microstructure); evaluations of wide-panel aluminum alloy extrusions; Al-Si-Ge alloy development; effects of texture and precipitates on mechanical property anisotropy of Al-Cu-Mg-X alloys; damage evolution in polymeric composites; and environmental effects in fatigue life prediction - modeling crack propagation in light aerospace alloys.

Starke, Edgar A., Jr.↗

Measurement and Analysis of Terminal Shock Oscillation and Buffet Forcing Functions on a Launch Vehicle Payload Fairing

The buffet loads on a launch vehicle payload shroud can be impacted by the unsteadiness associated with a terminal shock at high subsonic speeds. At these conditions, flow accelerates to supersonic speeds on the nose of the payload fairing and is terminated by a normal shock on the cylindrical section downstream of the nose cone/cylinder shoulder. The location of the terminal shock and associated separated boundary layer is affected by the freestream Mach number, Reynolds number, and the pitch/yaw of the launch vehicle. Furthermore, even when the freestream conditions and vehicle attitude are constant, this terminal shock oscillates on the surface of the vehicle. The time-varying surface pressure associated with the terminal shock results in unsteady aerodynamic loads that may interact with vehicle structural dynamic modes and the guidance and control of the vehicle. Buffet testing of a 3-percent scale rigid buffet model of a launch vehicle cargo configuration with a tangent-ogive payload shroud was conducted in 2012 and in 2016. Initial buffet forcing functions (BFFs) utilized a coarse pressure sensor distribution on the vehicle surface in which a single longitudinal station with eight sensors observed the terminal shock environment at Mach 0.90. An examination of these circumferential pressures reveal large impulse-like pressure fluctuations and an asymmetry in pressure when the vehicle is at a nonzeroangle of attack that result in high BFFs. Revisions to the shock integration region were made based on computational fluid dynamics and shadowgraph video of shock motion to better represent the BFFs and reduce the high loads resulting from this environment. To more clearly understand this terminal shock environment, a second wind tunnel test was conducted with a dense distribution of 256 sensors at the terminal shock location. These sensor arrays presents a unique opportunity to observe the unsteady terminal shock environment and to characterize the impact of various integration schemes on the BFFs. This paper presents a summary of the development of BFFs for this terminal shock and a detailed analyses of shock region pressure coefficients, coherence, BFFs, shock location time histories, and power spectral density to help guide development of BFFs for other launch vehicle test and analysis programs.

Piatak, David J.↗

In Situ Sample Environment for Studying Corrosion of Nuclear Materials

Currently there is lack of fundamental understanding of kinetics and reaction mechanisms that occur at nuclear cladding-steam interface under extreme environments in the nuclear reactors. Such understanding is vital to design and develop advanced cladding materials for more economical and safer nuclear power. We present advanced in situ sample environment for probing solid-fluid interfaces using high resolution synchrotron methods for studying early stages of corrosion including development of oxide layer as corrosion proceeds. Both X-ray diffraction and X-ray fluorescence methods will be discussed to probe structural and elemental composition changes under steam environment using corrosion resistant cell at high temperatures. High intensity and brightness of synchrotron coupled with advanced in situ sample environment developed, presents an opportunity to understand the fundamental interfacial processes involved in degradation of materials. The in situ sample environment is optimized for XRD and XRF data collection at NSLS-II and will be available to all users through the proposal process. The in situ sample environment is built to study the interfacial interactions at temperatures and pressures up to 400 deg. C and 1500 psi. It consists of three main parts; the distribution manifold, the pressure vessel, and the reaction cell as shown in Figure 1. Water is allowed to heat up to 350 deg. C inside the pressure vessel to produce steam which is delivered to reaction cell using insulated delivery system. The cell design is adapted from J. Diefenbacher, et. al. However, it is modified for corrosion applications in steam environments. The reaction cell and sample holder are made from hastelloy due to its high corrosion resistance. The reaction cell is surrounded by copper heating block to control its temperature independently from the rest of the system. Lab view based platform is developed for remote monitoring of pressure and temperature. The sample environment was commissioned at 6-IDD beamline in the Advanced Photon Source, for grazing incidence XRD corrosion studies. Metallic Zr sample (200 μm thickness) was used due to its faster oxidation kinetics as compared to Zircaloy. Sample was exposed to steam at 350 deg. C and 50 psi for a total time of 64 hours. Results showed the presence of α-Zr as the dominant phase. After 32 hours of exposure to steam, three oxide peaks in the low diffraction angle side started to develop with time. These peaks are attributed to the growth of substoichiometric zirconium oxide phases (Zr{sub 3}O and Zr{sub 3}O{sub 1-x}). (authors)

36 MATERIALS SCIENCE↗

Electromagnetics and Fluid Dynamics

Previous efforts focused on developing tools for design of low observables were sustained. The final product was the maturation of a high-order accurate finite-volume based code to solve Maxwell's equations. One of the primary achievements was the development and implementation of efficient filtering techniques which enhance the robustness of high-order and optimized schemes without significant adverse impact on accuracy. This has eliminated the stability barrier which restrains the common use of high-order schemes for conservative wave propagation phenomena on curvilinear meshes. A study was performed of crossing shock interactions under conditions of increasing interaction strength and asymmetry. In the first category, the observed computed topological bifurcations were correlated with the formation of various lines of coalescence and divergence evident in experimental and computed surf-ace oil maps. ne flow structure arising from asymmetric interactions was investigated with particular emphasis on: 1) vorticity dynamics, 2) shock-structure and 3) sidewall vortex loading. Several efforts of the prior year were successfully published in archival journals. The high-order algorithms developed for CEM have been implemented into the FDL3DI CFD code are presently undergoing extensive testing. Preliminary results are highly encouraging.

Gaitonde, Datta↗

Creep of MARBN-type 9Cr martensitic steel in gaseous CO 2 environment

Here, with an interest in moving from steam to supercritical CO 2 as the working fluid in advanced energy systems, it is important to study the mechanical response of structural alloys to CO 2 -containing environments. MARBN-type 9Cr martensitic steel was originally developed for application in boilers for supercritical and ultra-supercritical power plants where the steam temperature reaches 650 °C. In this research, a MARBN-type 9Cr martensitic steel designed and manufactured at NETL was creep tested in a gaseous CO 2 environment (i.e., 0.1 MPa at 650 °C), and the results are directly compared to creep tests conducted in air. It was found that environmentally-assisted cracking facilitated by carbide formation beneath the growing oxide accelerated failure in gaseous CO 2 . This work indicates that creep-oxidation interactions in advanced martensitic steels represent an important consideration for materials selection in supercritical CO 2 power cycles. Furthermore, this work confirms that more oxidation-resistant alloys will be required for the highest temperature portions of these systems.

36 MATERIALS SCIENCE↗

Tunable exciton-polaritons emerging from WS 2 monolayer excitons in a photonic lattice at room temperature

Engineering non-linear hybrid light-matter states in tailored lattices is a central research strategy for the simulation of complex Hamiltonians. Excitons in atomically thin crystals are an ideal active medium for such purposes, since they couple strongly with light and bear the potential to harness giant non-linearities and interactions while presenting a simple sample-processing and room temperature operability. We demonstrate lattice polaritons, based on an open, high-quality optical cavity, with an imprinted photonic lattice strongly coupled to excitons in a WS 2 monolayer. We experimentally observe the emergence of the canonical band-structure of particles in a one-dimensional lattice at room temperature, and demonstrate frequency reconfigurability over a spectral window exceeding 85 meV, as well as the systematic variation of the nearest-neighbour coupling, reflected by a tunability in the bandwidth of the p-band polaritons by 7 meV. The technology presented in this work is a critical demonstration towards reconfigurable photonic emulators operated with non-linear photonic fluids, offering a simple experimental implementation and working at ambient conditions.

36 MATERIALS SCIENCE↗

Computational characterization of the secondary droplets formed during the impingement of a train of ethanol drops

This paper uniquely characterizes the secondary droplets formed during the impingement of a train of ethanol drops, using three-dimensional direct numerical simulations performed under conditions studied experimentally by Yarin and Weiss. Our numerical results have been previously validated against experimental data demonstrating the ability to accurately capture the splashing dynamics. In this work, the predictive ability of the model is leveraged to gain further insight into secondary droplet formation. We present a robust post-processing algorithm, which scrutinizes the liquid volume fraction field in the volume-of-fluid method and quantifies the number, volume and velocity of secondary droplets. The high-resolution computational simulations enable secondary droplet characterization within close proximity of the impingement point at small length and time scales, which is extremely challenging to achieve experimentally. By studying the temporal evolution of secondary droplet formation, direct connections are made between liquid structures seen in the simulation and the instantaneous distribution of secondary droplets, leading to detailed insight into the instability-driven breakup process of lamellae. Time-averaged secondary droplet characteristics are also studied to describe the global distribution of secondary droplets. Such analysis is vital to understanding fuel drop impingement in direct injection engines, facilitating the development of highly accurate spray–wall interaction models for use in Lagrangian solvers.

42 ENGINEERING↗