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Mikko J. Alava

Publications and source records attributed to Mikko J. Alava.

At least 19 recordsLinked to original sources

Direct inference of viscoelastic memory from chirp rheometry via physics-informed Gaussian processes

Soft materials remember their deformation history, and identifying that memory from experiments is essential for predicting how these materials behave under real-world loading conditions. Chirp rheometry has recently emerged as a way to accelerate this characterization, compressing hours of conventional measurement into seconds and yielding thousands of stress-strain pairs per experiment. That density is then largely discarded: the standard pipeline reduces the record to a handful of frequency-domain estimates before any constitutive model is fitted. We introduce a physics-informed Gaussian process framework that infers the material's constitutive law directly from the raw time-domain record of a single chirp, selecting among candidate memory kernels and parametrizing the selected one without any intermediate signal processing step. Because the framework infers the memory kernel rather than the specific waveform used during training, it predicts the response to deformation histories it never saw, without retraining. The method also resolves material evolution within a single chirp directly in the time domain.

cond-mat.soft

Data-driven body-centered cubic phase prediction in cobalt free high-entropy alloys

High-entropy alloys (HEAs) are known for superb combination of performance attributes, making them ideal for advanced applications, e.g., nuclear engineering. The concept of cobalt-free HEAs aims to mitigate concerns about cobalt's radioactivity, however, predicting their phase formation remains challenging due to their complex compositions. In this work, we integrate six semiempirical parameters, i.e., mixing entropy (ΔSmix), mixing enthalpy (ΔHmix), atomic size difference (δ), valence electron concentration (VEC), d-orbital energy level (Md), and the Ω parameter, along with machine learning (ML) to predict the body-centered cubic phase stability in Co free HEAs. To address the limitations of experimental data, generative adversarial networks were used to augment the dataset, thus improving the accuracy of the Gaussian process classification model used for phase prediction. After dimensionality reduction to five principal components, the model achieved an accuracy of 84%, with ΔHmix and δ identified as the key descriptors influencing phase formation. This approach highlights the synergy of ML and data augmentation in accelerating the design of HEAs for advanced applications.

cond-mat.mtrl-sci

Early Prediction of Creep Failure via Bayesian Inference of Evolving Barriers

Creep under a sustained load can persist for long times yet culminate in abrupt yielding or rupture, implying a finite lifetime even when the material appears solid. Here, we formulate lifetime prediction as Bayesian inference over an evolving activation-energy landscape. A time-dependent distribution of activation barriers controls deformation: stress lowers barriers, while irreversible rearrangements deplete the weakest sites and reshape the low-barrier tail. Using early-time acoustic emission data, Bayesian inference estimates the evolving barrier statistics in each sample and yields posterior predictive distributions for the time-to-failure. This approach provides online uncertainty-aware lifetime forecasts -- already at around 10~\% of the sample lifetime -- that link microscopic barrier evolution to macroscopic creep dynamics.

cond-mat.mtrl-sci

Creep failure in heterogeneous materials from the barrier landscape

Stressed under a constant load, materials creep with a final acceleration of deformation and for any given applied stress and material, the creep failure time can strongly vary. We investigate creep on sheets of paper and confront the statistics with a simple fiber bundle model of creep failure in a disordered landscape. In the experiments, acoustic emission event times $t_j$ were recorded, and both this data and simulation event series reveal sample-dependent history effects with log-normal statistics and non-Markovian behavior. This leads to a relationship between $t_j$ and the failure time $t_f$ with a power law relationship, evolving with time. These effects and the predictability result from how the energy gap distribution develops during creep.

cond-mat.stat-mech

Efficient training of machine learning potentials for metallic glasses: CuZrAl validation

Interatomic potentials are key to uncovering microscopic structure-property relationships, essential for multiscale simulations and high-throughput experiments. For metallic glasses, their disordered atomic structure makes the development of potentials particularly challenging, resulting in the scarcity of chemistry-specific parametrizations for this important class of materials. We address this gap by introducing an efficient methodology to design machine learning interatomic potentials (MLIPs), benchmarked on the CuZrAl system. Using a Lennard-Jones surrogate model, swap-Monte Carlo sampling, and single-point Density Functional Theory (DFT) corrections, we capture amorphous structures spanning 14 decades of supercooling. These representative configurations, competing with the experimental time scale, enable robust model training across diverse states, while minimizing the need for extensive DFT datasets. The resulting MLIP matches the experimental data and predictions of the classical embedded atom method (EAM) for structural, dynamical, energetic, and mechanical properties. This approach offers a scalable path to develop accurate MLIPs for complex metallic glasses, including emerging multi-component and high-entropy systems.

cond-mat.mtrl-sci

Designing cobalt-free face-centered cubic high-entropy alloys: A strategy using d-orbital energy level

High-entropy alloys (HEAs) are promising materials for high-temperature structural applications such as nuclear reactors due to their outstanding mechanical properties and thermal stability. Instead of the trial-and-error method, it is efficient to design and prepare single-phase face-centered cubic (FCC) structured HEAs using semi-empirical phase formation rules. However, almost all of phase formation rules were proposed without taking into account the cobalt-free situation. The HEAs containing cobalt are unsuitable for nuclear applications because of the long-term activation of cobalt. Here, six parameters, d-orbital energy level, valance electron concentration, entropy of mixing, enthalpy of mixing, atom size differences, and parameter of the entropy of mixing (Ω) were calculated to determine the solid solution phase, especially the FCC phase formation rules in cobalt-free HEAs. HEAs of 4 components were arc melted to verify the newly developed phase formation rules. The nanomechanical properties of produced HEAs were evaluated using nanoindentation. Among the six parameters, the d-orbital energy level and valance electron concentration are the critical factors that determine the FCC phase stability in cobalt-free alloys. Interestingly, the d-orbital energy level can be alone used as a benchmark for developing mechanical properties.

cond-mat.mtrl-sci

Crack propagation by activated avalanches during creep and fatigue from elastic interface theory

The growth of cracks combines materials science, fracture mechanics, and statistical physics. The importance of fluctuations in the crack velocity is fundamental since it signals that the crack overcomes local barriers such as tough spots by avalanches. In ductile materials the omnipresent plasticity close to the crack tip influences the growth by history effects, which we here study in polymethylmetacrylate by various fatigue and creep protocols. We show how the crack tip local history may be encompassed in a time- and protocol dependent lengthscale, that allows to apply a statistical fracture description to the time-dependent crack growth rate, resolving the well-known paradox why fatigue cracks grow faster if the stress during a cycle is let to relax more from the peak value. The results open up novel directions for understanding fracture by statistical physics.

cond-mat.stat-mech

Bayesian optimization to infer parameters in viscoelasticity

Inferring viscoelasticity parameters is a key challenge that often leads to non-unique solutions when fitting rheological data. In this context, we propose a machine learning approach that utilizes Bayesian optimization for parameter inference during curve-fitting processes. To fit a viscoelastic model to rheological data, the Bayesian optimization maps the parameter values to a given error function. It then exploits the mapped space to identify parameter combinations that minimize the error. We compare the Bayesian optimization results to traditional fitting routines and demonstrate that our approach finds the fitting parameters in a less or similar number of iterations. Furthermore, it also creates a "white-box" and supervised framework for parameter estimation in linear viscoelasticity modeling.

cond-mat.soft

pyRheo: An open-source Python package for complex rheology

Mathematical modeling is a powerful tool in rheology, and we present pyRheo, an open-source package for Python designed to streamline the analysis of creep, stress relaxation, oscillation, and rotation tests. pyRheo contains a comprehensive selection of viscoelastic models, including fractional order approaches. It integrates model selection and fitting features and employs machine intelligence to suggest a model to describe a given dataset. The package fits the suggested model or one chosen by the user. An advantage of using pyRheo is that it addresses challenges associated with sensitivity to initial guesses in parameter optimization. It allows the user to iteratively search for the best initial guesses, avoiding convergence to local minima. We discuss the capabilities of pyRheo and compare them to other tools for rheological modeling of biological matter. We demonstrate that pyRheo significantly reduces the computation time required to fit high-performance viscoelastic models.

cond-mat.soft

Bayesian exploration of the composition space of CuZrAl metallic glasses for mechanical properties

Designing metallic glasses in silico is a major challenge in materials science given their disordered atomic structure and the vast compositional space to explore. Here, we tackle this challenge by finding optimal compositions for target mechanical properties. We apply Bayesian exploration for the CuZrAl composition, a paradigmatic metallic glass known for its good glass forming ability. We exploit an automated loop with an online database, a Bayesian optimization algorithm, and molecular dynamics simulations. From the ubiquitous 50/50 CuZr starting point, we map the composition landscape changing the ratio of elements and adding aluminium to characterize the yield stress and the shear modulus. This approach demonstrates with relatively modest effort that the system has an optimal composition window for the yield stress around aluminium concentration $c_{\rm Al} = 15$ \% and zirconium concentration $c_{\rm Zr} = 30$ %. We also explore several cooling rates ("process parameters") and find that the best mechanical properties for a composition result from being most affected by the cooling procedure. Our Bayesian approach paves the novel way for the design of metallic glasses with "small data", with an eye toward both future in silico design and experimental applications exploiting this toolbox.

cond-mat.mtrl-sci

Avalanches in CuZrAl metallic glasses

Metallic glasses have mechanical properties, which exhibit avalanches in the disguise of stress drops. We study these phenomena in a classical metallic glass system CuZrAl by athermal quasistatic shear and varying the element concentrations and for pure CuZr 50/50 case the cooling rate. The resulting mechanical properties are close to the behaviour found experimentally. At small strains, the pristine systems are akin to other glassy systems with a so-called gap distribution with a small positive exponent. Critical avalanching behaviour is found only approaching the yield point. The post-yield stress drops are universal, and the gap distribution becomes flat.

cond-mat.stat-mech

Striation lines in intermittent fatigue crack growth in an Al alloy

Fatigue failure of crystalline materials is a difficult problem in science and engineering, and recent results have shown that fatigue crack growth can occur in intermittent jumps which have fat-tailed distributions. As fatigue crack propagation is known to leave markings -- called striations -- on the fracture surface, the distances between these should also have fat-tailed distributions, if the crack propagation is intermittent. Here, we combine macroscale crack tip tracking in fatigue crack growth measurements of aluminum 5005 samples with \emph{post-mortem} scanning electron microscopy imaging of the striation lines. We introduce two different methods for extracting the striation line spacing from the images. What we find is a similar distribution of striation spacings as jump sizes using one of our methods, but the average striation spacing does not correlate with the crack growth rate. We conclude that we observe avalanche-like crack propagation, reflected in both the macroscale crack tip tracking as well as the analysis of the fracture surfaces. Our results show that the fracture surfaces can be used to study the intermittency of fatigue crack propagation and in development of crack-resistant materials. The advantages and disadvantages of the two methods introduced are discussed.

cond-mat.stat-mech

Detection of the onset of yielding and creep failure from digital image correlation

There are a multitude of applications in which structural materials would be desired to be nondestructively evaluated, while in a component, for plasticity and failure characteristics. In this way, safety and resilience features can be significantly improved. Nevertheless, while failure can be visible through cracks, plasticity is commonly invisible and highly microstructure-dependent. Here, we show that an equation-free method based on principal component analysis is capable of detecting yielding and tertiary creep onset, directly from strain fields that are obtained by digital image correlation, applicable on components, continuously and nondestructively. We demonstrate the applicability of the method to yielding of Ni-based Haynes 230 metal alloy polycrystalline samples, which are also characterized through electron microscopy and benchmarked using continuum polycrystalline plasticity modeling. Also, we successfully apply this method to yielding during uniaxial tension of Hastelloy X polycrystalline samples, and also to the onset of tertiary creep in quasibrittle fiber composites under uniaxial tension. We conclude that there are key features in the spatiotemporal fluctuations of local strain fields that can be used to infer mechanical properties.

cond-mat.mtrl-sci

Wood compression in four-dimensional in situ tomography

Wood deformation, in particular when subject to compression, exhibits scale-free avalanche-like behavior as well as structure-dependent localization of deformation. We have taken three-dimensional (3D) x-ray tomographs during compression with constant stress rate loading. Using digital volume correlation, we obtain the local total strain during the experiment and compare it to the global strain and acoustic emission. The wood cells collapse layer by layer throughout the sample starting from the softest parts, i.e., the spring wood. As the damage progresses, more and more of the softwood layers throughout the sample collapse, which indicates damage spreading instead of localization. In 3D, one can see a fat-tailed local strain rate distribution, indicating that inside the softwood layers, the damage occurs in localized spots. The observed log-normal strain distribution is in agreement with this view of the development of independent local collapses or irreversible deformation events. A key feature in the mechanical behavior of wood is then in the complex interaction of localized deformation between or among the annual rings.

cond-mat.stat-mech

Yielding in multi-component metallic glasses: Universal signatures of elastic modulus heterogeneities

Sheared multi-component bulk metallic glasses are characterized by both chemical and structural disorder that define their properties. We investigate the behavior of the local, microstructural elastic modulus across the plastic yielding transition in six Ni-based multi-component glasses, that are characterized by compositional features commonly associated with solid solution formability. We find that elastic modulus fluctuations display consistent percolation characteristics pointing towards universal behavior across chemical compositions and overall yielding sharpness characteristics. Elastic heterogeneity grows upon shearing via the percolation of elastically soft clusters within an otherwise rigid amorphous matrix, confirming prior investigations in granular media and colloidal glasses. We find clear signatures of percolation transition with spanning clusters that are universally characterized by scale-free characteristics and critical scaling exponents. The spatial correlation length and mean cluster size tend to diverge prior to yielding, with associated critical exponents that exhibit fairly weak dependence on compositional variations as well as macroscopic stress-strain curve details.

cond-mat.mtrl-sci

Direct detection of plasticity onset through total-strain profile evolution

Plastic yielding in solids strongly depends on various conditions, such as temperature and loading rate and indeed, sample-dependent knowledge of yield points in structural materials promotes reliability in mechanical behavior. Commonly, yielding is measured through controlled mechanical testing at small or large scales, in ways that either distinguish elastic (stress) from total deformation measurements, or by identifying plastic slip contributions. In this paper we argue that instead of separate elastic/plastic measurements, yielding can be unraveled through statistical analysis of total strain fluctuations during the evolution sequence of profiles measured in-situ, through digital image correlation. We demonstrate two distinct ways of precisely quantifying yield locations in widely applicable crystal plasticity models, that apply in polycrystalline solids, either by using principal component analysis or discrete wavelet transforms. We test and compare these approaches in synthetic data of polycrystal simulations and a variety of yielding responses, through changes of the applied loading rates and the strain-rate sensitivity exponents.

cond-mat.mtrl-sci

Avalanche correlations and stress-strain curves in discrete dislocation plasticity

The sequence of deformation bursts during plastic deformation exhibits scale-free features. In addition to the burst or avalanche sizes and the rate of avalanches the process is characterized by correlations in the series which become manifest in the resulting shape of the stress-strain curve. We analyze such features of plastic deformation with 2D and 3D simulations of discrete dislocation dynamics models and we show, that only with severe plastic deformation the ensuing memory effects become negligible. The role of past deformation history and dislocation pinning by disorder are studied. In general, the correlations have the effect of reducing the scatter of the individual stress-strain curves around the mean one.

cond-mat.mtrl-sci

Propagating bands of plastic deformation in a metal alloy as critical avalanches

The plastic deformation of metal alloys localizes in the Portevin--Le Chatelier effect in bands of different types, including propagating, or type 'A' bands, usually characterised by their width and a typical propagation velocity. This plastic instability arises from collective dynamics of dislocations interacting with mobile solute atoms but the resulting sensitivity to the strain-rate lacks fundamental understanding. Here we show, by employing high-resolution imaging in tensile deformation experiments of an aluminum alloy, that the band velocities exhibit large fluctuations. Each band produces a velocity signal reminiscent of crackling noise bursts observed in numerous driven avalanching systems from propagating cracks in fracture to the Barkhausen effect in ferromagnets. The statistical features of these velocity bursts including their average shapes and size distributions obey predictions of a simple mean-field model of critical avalanche dynamics. Our results thus reveal a novel paradigm of criticality in the localization of deformation.

cond-mat.stat-mech