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Ankit Srivastava

Publications and source records attributed to Ankit Srivastava.

At least 19 recordsLinked to original sources

A BRAVE Alloy Design Campaign (Bayesian Risk-aware Alloy discoVery and Exploration)

In constrained alloy optimization, the compositions with the highest performance potential often reside at the boundary of phase stability -- where the risk of experimental failure is also highest. This work demonstrates this principle through a risk-aware Bayesian optimization campaign on single-phase FCC high-entropy alloys in the Al-V-Cr-Mn-Fe-Co-Ni-Cu system. A learned feasibility classifier, integrated directly into the multi-objective acquisition function, probabilistically penalizes candidates likely to produce failed experiments while preserving access to high-performing boundary compositions. From approximately 27,000 CALPHAD-screened candidates, 48 alloys were synthesized over three closed-loop iterations targeting five objectives (yield strength, UTS/YS ratio, strain at UTS, dynamic-to-quasi-static hardness ratio, and simulated depth of penetration), exploring 0.12\% of the feasible space. Two compositional regimes emerged: a V-rich, Ni-rich high-strength regime (UTS up to ${\sim}1480$~MPa at 50% elongation) and a Mn-containing high-ductility regime (UTS/YS up to 4.20 at $>$50% elongation). Among feasible alloys, vanadium simultaneously drives yield strength ($r = 0.84$) and sigma-phase formation ($r = 0.54$ with infeasibility); at V = 24~at.%, the three strongest alloys and three sigma failures share the same compositional point. Additionally, the strongest performing alloys cluster in a narrow region of compositional space (V $\geq$ 20 at.%, Ni $\geq$ 36 at.%), representing ${\sim}100$ of $27,074$ feasible candidates -- a probability of $P \approx 6.5 \times 10^{-6}$ under random sampling. This dual role -- consistent with the KKT prediction that constrained optima lie on active constraint boundaries -- required feasibility-aware acquisition to access; hard filtering would have excluded this region entirely.

cond-mat.mtrl-sci

On the Optimality of Reduced-Order Models for Band Structure Computations: A Kolmogorov $n$-Width Perspective

In this paper, we exploit the concept of Kolmogorov $n$-widths to establish optimality benchmarks for reduced-order methods used in phononic, acoustic, and photonic band structure calculations. The Bloch-transformed operators are entire holomorphic functions of the wave vector~$\kk$, and by Kato's analytic perturbation theory the eigenpairs inherit this holomorphy wherever the spectral gap is positive. The Kolmogorov $n$-width of the solution manifold therefore decays exponentially, at a rate controlled by the minimum spectral gap between the band of interest and its neighbors. For clusters of bands, we show that working with spectral projectors rather than individual eigenvectors renders all internal crossings -- avoided, symmetry-enforced, or conical -- irrelevant: only the gap separating the cluster from the remaining spectrum matters. These results provide a sharp lower bound on the error of any linear reduction method, against which existing approaches can be measured. Numerical experiments on one- and two-dimensional problems confirm the predicted exponential decay and demonstrate that a greedy algorithm achieves near-optimal convergence. It also provides a principled justification for the choice of basis vectors in highly successful reduced-order models like RBME.

math.NA

Augmented Model Predictive Control: A Balance between Satellite Agility and Computation Complexity

Agile earth observation satellites employ multiple actuators to enable flexible and responsive imaging capabilities. While significant advancements in actuator technology have enhanced satellites' torque and momentum, relatively little attention has been given to control strategies specifically tailored to improve satellite agility. This paper provides a comparative analysis of different Model Predictive Control (MPC) formulations and introduces an augmented-MPC method that effectively balances agility requirements with hardware implementation constraints. The proposed method achieves the high-performance characteristics of nonlinear MPC while preserving the computational simplicity of linear MPC. Numerical simulations and physical experiments are conducted to validate the effectiveness and feasibility of the proposed approach.

eess.SY

Modeling the Effects of Slip, Twinning, and Notch on the Deformation of Single-Crystal Austenitic Manganese Steel

The objective of this work is to deconvolute the interaction of slip, twinning, and notch on the deformation response of an austenitic manganese (Hadfield) steel using detailed finite element simulations. The simulations employ a rate-dependent crystal plasticity constitutive model that incorporates both slip and twinning deformation mechanisms. The model accounts for the spatially non-uniform appearance of new twin-related orientations, hardening due to slip--twin interactions, and modified properties of the twinned crystal. Limited experiments on single-crystal dog-bone and single-edge notch specimens, with two crystal orientations, are also conducted to aid the simulation. Several features of the experimental observations are accurately captured in the simulations. For example, simulations accurately capture distinct stress--strain responses associated with different crystallographic orientations, including variations in initial hardening behavior followed by either decreasing or increasing hardening depending on the dominant deformation mechanisms. The simulation also captures the observed orientation-dependent asymmetric deformation of the notch in single-edge notch specimens. Additionally, by selectively activating deformation mechanisms, the role of twinning is isolated and its influence on both global and local response is clearly demonstrated. These results provide a mechanistic understanding of how deformation mode interactions and local geometry (i.e., notch) influence the response of these materials.

cond-mat.mtrl-sci

Local metamaterials and transition layers

In this paper, we elucidate the concept of local acoustic metamaterials. These are composites which exhibit equi-frequency contours (EFC) which correspond to those expected of homogeneous local acoustic media. We show that EFCs for local acoustic media are conics in 2-dimension and quadrics in 3-dimension. In 2-D, the sure signature of negative properties is if the conic is a hyperbola and in 3-D, the sure signature is the presence of hyperboloids. We note that metamaterial coupling (Willis coupling) has the potential of translating these conics and quadrics in the wave-vector plane but that it does not fundamentally change the shape of these geometries. The local effective properties assigned to a composite in such cases are dispersive (frequency dependent) and they satisfy causality considerations. We finally also show that such properties truly characterize the composite in the sense that they can be used to solve scattering problems involving different samples of the composite. We show that this is made possible through the consideration of transition layers. While the sharp-interface model incurs scattering errors exceeding 20\% at oblique angles, the Drude-layer model restores agreement to within 2\% without requiring integral-equation or multi-mode expansions, thereby offering a simple yet highly efficient route to accurate scattering predictions in resonant local acoustic metamaterials.

physics.app-ph

Operator theoretic causality analysis of fluid flows using linearized dynamics

This paper presents an operator-theoretic framework, Linear Operator Causality Analysis (LOCA), for analyzing causality in linearized dynamical systems, focusing here on fluid flows. Our proposed approach, which can be characterized as a special case of Dynamic Causal Effect (DCE) analysis, utilizes the matrix exponential of linearized differential equations to determine causal relationships between system modes at any future time. We further develop an upper bound that quantifies the presence and extent of global causality across all time horizons. This approach provides a physics-based alternative to data-driven statistical and information-theoretic causality measures such as Granger causality and transfer entropy. Unlike these data-driven techniques that infer causality from time-series data, LOCA leverages the linearized governing equations, yielding a physically-motivated and interpretable measure of causal interactions. We identify the conditions under which LOCA gives equivalent results to data-driven causality analysis methods, and further discuss connections to key system properties such as controllability, observability, and graph-theoretic transitive closure. To complement this operator-based approach, we introduce a data-driven methodology akin to Dynamic Mode Decomposition (DMD) that estimates causal connections directly from time series data by approximating the matrix exponential. We argue that LOCA also mitigates common issues in data-driven causality analyses, such as misleading inferences due to correlated variables or state truncation. We demonstrate our method on two fluid flow examples: linearized Couette flow, and a nonlinear wake flow featuring chaotic dynamics. In both cases, we demonstrate how our framework captures both direct and indirect causal interactions among flow structures.

nlin.CD

Generative AI in Live Operations: Evidence of Productivity Gains in Cybersecurity and Endpoint Management

We measure the association between generative AI (GAI) tool adoption and four metrics spanning security operations, information protection, and endpoint management: 1) number of security alerts per incident, 2) probability of security incident reopenings, 3) time to classify a data loss prevention alert, and 4) time to resolve device policy conflicts. We find that GAI is associated with robust and statistically and practically significant improvements in the four metrics. Although unobserved confounders inhibit causal identification, these results are among the first to use observational data from live operations to investigate the relationship between GAI adoption and security operations, data loss prevention, and device policy management.

cs.CR

Accelerated Multi-Objective Alloy Discovery through Efficient Bayesian Methods: Application to the FCC Alloy Space

This study introduces BIRDSHOT, an integrated Bayesian materials discovery framework designed to efficiently explore complex compositional spaces while optimizing multiple material properties. We applied this framework to the CoCrFeNiVAl FCC high entropy alloy (HEA) system, targeting three key performance objectives: ultimate tensile strength/yield strength ratio, hardness, and strain rate sensitivity. The experimental campaign employed an integrated cyber-physical approach that combined vacuum arc melting (VAM) for alloy synthesis with advanced mechanical testing, including tensile and high-strain-rate nanoindentation testing. By incorporating batch Bayesian optimization schemes that allowed the parallel exploration of the alloy space, we completed five iterative design-make-test-learn loops, identifying a non-trivial three-objective Pareto set in a high-dimensional alloy space. Notably, this was achieved by exploring only 0.15% of the feasible design space, representing a significant acceleration in discovery rate relative to traditional methods. This work demonstrates the capability of BIRDSHOT to navigate complex, multi-objective optimization challenges and highlights its potential for broader application in accelerating materials discovery.

cond-mat.mtrl-sci

Perspective on Non-Hermitian Elastodynamics

The manipulation of mechanical waves is a long-standing challenge for scientists and engineers, as numerous devices require their control. The current forefront of research in the control of classical waves has emerged from a seemingly unrelated field, namely, non-Hermitian quantum mechanics. By drawing analogies between this theory and those of classical systems, researchers have discovered phenomena that defy conventional intuition and have exploited them to control light, sound, and elastic waves. Here, we provide a brief perspective on recent developments, challenges and intricacies that distinguish non-Hermitian elastodynamics from optics and acoustics. We close this perspective with an outlook on potential directions such as topological phases in non-Hermitian elastodynamics and broken Hermitian symmetry in materials with electromomentum couplings.

physics.class-ph

Illustrating an Effective Workflow for Accelerated Materials Discovery

Algorithmic materials discovery is a multi-disciplinary domain that integrates insights from specialists in alloy design, synthesis, characterization, experimental methodologies, computational modeling, and optimization. Central to this effort is a robust data management system paired with an interactive work platform. This platform should empower users to not only access others data but also integrate their analyses, paving the way for sophisticated data pipelines. To realize this vision, there is a need for an integrative collaboration platform, streamlined data sharing and analysis tools, and efficient communication channels. Such a collaborative mechanism should transcend geographical barriers, facilitating remote interaction and fostering a challenge-response dynamic. In this paper, we present our ongoing efforts in addressing the critical challenges related to an accelerated Materials Discovery Framework as a part of the High-Throughput Materials Discovery for Extreme Conditions Initiative. Our BIRDSHOT Center has successfully harnessed various tools and strategies, including the utilization of cloud-based storage, a standardized sample naming convention, a structured file system, the implementation of sample travelers, a robust sample tracking method, and the incorporation of knowledge graphs for efficient data management. Additionally, we present the development of a data collection platform, reinforcing seamless collaboration among our team members. In summary, this paper provides an illustration and insight into the various elements of an efficient and effective workflow within an accelerated materials discovery framework while highlighting the dynamic and adaptable nature of the data management tools and sharing platforms.

cond-mat.mtrl-sci

Linear and nonlinear Granger causality analysis of turbulent duct flows

This research focuses on the identification and causality analysis of coherent structures that arise in turbulent flows in square and rectangular ducts. Coherent structures are first identified from direct numerical simulation data via proper orthogonal decomposition (POD), both by using all velocity components, and after separating the streamwise and secondary components of the flow. The causal relations between the mode coefficients are analysed using pairwise-conditional Granger causality analysis. We also formulate a nonlinear Granger causality analysis that can account for nonlinear interactions between modes. Focusing on streamwise-constant structures within a duct of short streamwise extent, we show that the causal relationships are highly sensitive to whether the mode coefficients or their squared values are considered, whether nonlinear effects are explicitly accounted for, and whether streamwise and secondary flow structures are separated prior to causality analyses. We leverage these sensitivities to determine that linear mechanisms underpin causal relationships between modes that share the same symmetry or anti-symmetry properties about the corner bisector, while nonlinear effects govern the causal interactions between symmetric and antisymmetric modes. In all cases, we find that the secondary flow fluctuations (manifesting as streamwise vorticial structures) are the primary cause of both the presence and movement of near-wall streaks towards and away from the duct corners.

physics.flu-dyn

FO-PINNs: A First-Order formulation for Physics Informed Neural Networks

Physics-Informed Neural Networks (PINNs) are a class of deep learning neural networks that learn the response of a physical system without any simulation data, and only by incorporating the governing partial differential equations (PDEs) in their loss function. While PINNs are successfully used for solving forward and inverse problems, their accuracy decreases significantly for parameterized systems. PINNs also have a soft implementation of boundary conditions resulting in boundary conditions not being exactly imposed everywhere on the boundary. With these challenges at hand, we present first-order physics-informed neural networks (FO-PINNs). These are PINNs that are trained using a first-order formulation of the PDE loss function. We show that, compared to standard PINNs, FO-PINNs offer significantly higher accuracy in solving parameterized systems, and reduce time-per-iteration by removing the extra backpropagations needed to compute the second or higher-order derivatives. Additionally, FO-PINNs can enable exact imposition of boundary conditions using approximate distance functions, which pose challenges when applied on high-order PDEs. Through three examples, we demonstrate the advantages of FO-PINNs over standard PINNs in terms of accuracy and training speedup.

cs.LG

Using R-functions to Control the Shape of Soft Robots

In this paper, we introduce a new approach for soft robot shape formation and morphing using approximate distance fields. The method uses concepts from constructive solid geometry, R-functions, to construct an approximate distance function to the boundary of a domain in $\Re^d$. The gradients of the R-functions can then be used to generate control algorithms for shape formation tasks for soft robots. By construction, R-functions are smooth and convex everywhere, possess precise differential properties, and easily extend from $\Re^2$ to $\Re^3$ if needed. Furthermore, R-function theory provides a straightforward method to creating composite distance functions for any desired shape by combining subsets of distance functions. The process is highly efficient since the shape description is an analytical expression, and in this sense, it is better than competing control algorithms such as those based on potential fields. Although the method could also apply to swarm robots, in this paper it is applied to soft robots to demonstrate shape formation and morphing in 2-D (simulation and experimentation) and 3-D (simulation).

cs.RO

The Atomistic Green's Function method for acoustic and elastic wave-scattering problems

In this paper, we present a powerful method (Atomistic Green's Function, AGF) for calculating the effective Hamiltonian of acoustic and elastic wave-scatterers. The ability to calculate the effective Hamiltonian allows for the study of scattering problems in infinite systems without the introduction of any artificial truncating boundaries such as perfectly matched layers or Dirichlet to Neumann (DtN) maps. Furthermore, the AGF formalism also allows for the efficient calculation of the Green's function of the scatterer as well as all relevant scattering metrics including reflection and transmission ratios. The formalism presented here is especially suited to scattering problems involving waveguides, phononic crystals, metamaterials, and metasurfaces. We show the application of the method to three scattering problems: scattering from a slab (1D), scattering from a finite phononic crystal (1D), and scattering from defects in a waveguide (2D).

physics.app-ph

Causality analysis of large-scale structures in the flow around a wall-mounted square cylinder

The aim of this work is to analyse the formation mechanisms of large-scale coherent structures in the flow around a wall-mounted square cylinder, due to their impact on pollutant transport within cities. To this end, we assess causal relations between the modes of a reduced-order model obtained by applying proper-orthogonal decomposition to high-fidelity-simulation data of the flow case under study. The causal relations are identified using conditional transfer entropy, which is an information-theoretical quantity that estimates the amount of information contained in the past of one variable about another. This allows for an understanding of the origins and evolution of different phenomena in the flow, with the aim of identifying the modes responsible for the formation of the main vortical structures. Our approach unveils that vortex-breaker modes are the most causal modes, in particular, over higher-order modes, and no significant causal relationships were found for vortex-generator modes. We validate this technique by determining the causal relations present in the nine-equation model of near-wall turbulence developed by Moehlis et al. (New J. Phys, vol. 6, 2004, p. 56), which are in good agreement with literature results for turbulent channel flows.

physics.flu-dyn

Scattering of mechanical waves from the perspective of open systems

In this paper, we consider the problem of mechanical wave scattering from a spatially finite system into an infinite surrounding environment. The goal is to illuminate why the scattering spectrum undergoes peaks and dips (resonances) at specific locations and how these locations connect to the vibrational properties of the scatterer. The resonance locations are connected to the eigenvalues of a finite dimensional effective operator, $H_{eff}$, corresponding to the scatterer. The developments are presented from the perspective of open systems, which seeks to convert the infinite dimensional scattering problem (scatterer+environment) into a finite dimensional effective problem involving only the finite scatterer. This is achieved through a projection operator formalism which allows us to formally calculate $H_{eff}$. An interesting corollary of our analysis is the deep connection between resonance locations in the scattering spectrum and the eigenfrequencies of the scatterer under Neumann boundary condition. We bring out this point further by considering 3D scattering from an elastic shell, connecting our results to classical results in acousto-elastic scattering theory.

physics.class-ph

Exact imposition of boundary conditions with distance functions in physics-informed deep neural networks

In this paper, we introduce a new approach based on distance fields to exactly impose boundary conditions in physics-informed deep neural networks. The challenges in satisfying Dirichlet boundary conditions in meshfree and particle methods are well-known. This issue is also pertinent in the development of physics informed neural networks (PINN) for the solution of partial differential equations. We introduce geometry-aware trial functions in artifical neural networks to improve the training in deep learning for partial differential equations. To this end, we use concepts from constructive solid geometry (R-functions) and generalized barycentric coordinates (mean value potential fields) to construct $ϕ$, an approximate distance function to the boundary of a domain. To exactly impose homogeneous Dirichlet boundary conditions, the trial function is taken as $ϕ$ multiplied by the PINN approximation, and its generalization via transfinite interpolation is used to a priori satisfy inhomogeneous Dirichlet (essential), Neumann (natural), and Robin boundary conditions on complex geometries. In doing so, we eliminate modeling error associated with the satisfaction of boundary conditions in a collocation method and ensure that kinematic admissibility is met pointwise in a Ritz method. We present numerical solutions for linear and nonlinear boundary-value problems over domains with affine and curved boundaries. Benchmark problems in 1D for linear elasticity, advection-diffusion, and beam bending; and in 2D for the Poisson equation, biharmonic equation, and the nonlinear Eikonal equation are considered. The approach extends to higher dimensions, and we showcase its use by solving a Poisson problem with homogeneous Dirichlet boundary conditions over the 4D hypercube. This study provides a pathway for meshfree analysis to be conducted on the exact geometry without domain discretization.

math.NA

Angle-dependent Phononic Dynamics for Deep Learning and Source Localization

In this work, a parameterized eigenvalue problem is analyzed for a phononic array in a 2D stress wave scattering setup, and a corresponding sensing application of this system is proposed to achieve source angle localization. The phononic domain consists of a periodic micro-structured medium, of which the eigen-wavevector band structure and the eigen-modes are exploited. The eigen-modes are naturally angle dependent due to changes in phases and periodic mode shapes determined by the incident angle. Intriguingly, the band exhibits angle-dependent transitions at the exceptional points (EPs) and critical angles (CAs), where the eigenvalues coincide or vanish. Coupled with these transitions, it is found that the eigen-modes switch their energy characteristics and symmetry patterns at these branch points, leading to enhanced angle dependence. Moreover, these eigen-modes also serve as the basis functions of the scattered waves. Therefore, the scattering response of the medium inherently possesses the angle-dependent properties, making this system naturally suitable for sensing applications. An artificial neural network (ANN) is trained with randomly weighted eigen-modes to achieve deep learning of the eigen features and angle dependence. The training data is derived only based on the eigen-modes of the unit cells. Nevertheless, the trained ANN can accurately identify the incident angle of an unknown scattering signal, with minimal side lobe levels and suppressed main lobe width. The ANN shows superior performance in comparison with standard delay-and-sum technique of estimating angle of arrival. The proposed application of ANN and micro-structured media highlights the physical importance of band structure topology and eigen-modes to a technological application, adds extra strength to the existing localization methods, and can be easily enhanced with the fast-growing data-driven techniques.

physics.app-ph