arXiv subjects

L. Kurpaska

Publications and source records attributed to L. Kurpaska.

10 recordsLinked to original sources

arXiv2026

High-temperature behavior of amorphous alumina coatings: Insights from in-situ nanoindentation and X-ray diffraction studies

Further development of nuclear power plant technology relies heavily on materials durability under operating conditions. Estimating the materials performance in the operando tests is crucial. In this paper, the mechanical behavior of thin amorphous nuclear-dedicated Al2O3 coatings deposited by pulsed laser deposition was investigated by nanoindentation over the temperature range of 25-650C. Experimental nanomechanical analysis was supported by MD simulations. The results indicate that the hardness of the amorphous coating experiences a gradual, constant decrease with temperature, while the Young modulus value remains constant in the whole temperature range. Observed phenomena confirm the increasing plasticity of the material and it is postulated to be related to the bond-switching mechanism that accelerates at high temperatures. The post-mortem transmission electron microscopy characterization confirmed that the loaded material was non-crystalline over the entire range of the indentation temperatures. The thermal stability of the structure was further studied in-situ up to 1050C by X-ray diffraction. The implemented methodology allowed us to follow the dynamic process of phase transitions occurring in the material above 650C. First, thermally activated crystallization was observed at 700C. Intermediate alumina phases were present up to 950C, while above this temperature, exclusively the thermodynamically stable alpha-Al2O3 was observed. The in-situ high-temperature characterization of the evolution of thin films boosts the understanding of the application limits of the coating systems at elevated temperatures. The added value is that the paper demonstrates the potential usefulness of combining high-temperature techniques to characterize the complete behavior of thin films at elevated temperatures.

cond-mat.mtrl-sci↗

arXiv2026

High-Temperature Deformation Behavior of Co-Free Non-Equiatomic CrMnFeNi Alloy

Cobalt-free high-entropy alloys (HEAs) have garnered interest for nuclear structural applications due to their good mechanical performance, thermal stability, and resistance to radiation-induced degradation, while avoiding long-lived Co radioisotopes. This study presents an experimental and computational investigation of the plastic deformation behavior of a non-equatomic CrMnFeNi alloy, designed to maintain a stability of fcc phase in a large domain of temperatures and to balance stacking fault (SF) energies for enhanced strain hardening and ductility. Tensile tests reveal a temperature-dependent reduction in mechanical strength, attributed to thermally activated deformation mechanisms and microstructural evolution. Molecular dynamics simulations of single- and polycrystals capture dislocation activity, SF formation, and twin nucleation as a function of strain and temperature. Electron backscatter diffraction (EBSD) confirms twin formation and grain boundary activity. The Schmid factor mapping is drawn to interpret local slip activity and anisotropic deformation behavior. The absence of Co leads to enhanced high-temperature strength compared to the Cantor alloy.

cond-mat.mtrl-sci↗

arXiv2025

The effects of high-temperature ion-irradiation on early-stage grain boundaries serrations formation in Ni-based alloys

Nickel based superalloys display outstanding properties such as excellent creep strength, remarkable fracture toughness parameters, and corrosion resistance. For this reason, Ni based materials are considered as materials dedicated to the IV generation of nuclear reactors. Although these materials seem promising candidates, their radiation resistance and impact of radiation damage on the deformation mechanism are still not fully understood. In this work, two commercially available nickel based alloys, Hastelloy X and Haynes 230, were investigated. Structural and mechanical properties have been described by means of SEM and EBSD, TEM, and nanoindentation tests. Radiation damage has been performed by Ar ion with energy 320keV with two doses up to 12dpa. Obtained results have revealed a hardening effect for both levels of damage. However, more intensive effects were observed for Hastelloy X. Moreover, a significant change in precipitates morphology in Hastelloy X has been observed. It has been proposed that structural differences between both alloys determine the type of occurring radiation induced processes. Excess energy deposited into materials structure during ion irradiation can lower the temperature of nucleation of high temperature phases, which initiates the formation of grain boundary serrations.

cond-mat.mtrl-sci↗

arXiv2025

Evaluating Compression and Nanoindentation in FCC Nickel: A Methodology for Interatomic Potential Selection

We performed molecular dynamics simulations to investigate the mechanical response of face-centered cubic (FCC) nickel under uniaxial compression and nanoindentation using traditional interatomic potentials, including the Embedded Atom Method (EAM) and Modified Embedded Atom Method (MEAM). By calculating the generalized stacking fault energy (GSFE), we analyzed the dissociated slip paths responsible for stacking fault formation and partial Shockley dislocations during mechanical loading. Our findings highlight the critical importance of selecting appropriate interatomic potentials to model compression and nanoindentation tests accurately, aligning simulations with experimental observations. We propose a practical methodology for identifying empirical interatomic potentials suitable for mechanical testing of single-element materials. This approach establishes a benchmark for FCC nickel simulations and provides a basis for extending these methods to more complex Ni-based alloys, facilitating comparisons with experimental results such as those from electron microscopy.

cond-mat.mtrl-sci↗

arXiv2025

Nanoindentation responses of Fe-Cr alloys from room temperature to 600 {\deg}C

In this work, the evolution of nanomechanical properties was studied systematically as a function of temperature, chemical, and microstructural complexity of different Fe-based alloys. Experiments were performed at different temperatures (room temperature, 200 C, 400 C, 600 C) using the nanoindentation technique on low activation Fe9Cr-1WVTa (Eurofer97), model Fe-9Cr-NiSiP, Fe-9Cr alloys, and pure iron samples, followed by microstructural observations. The results show varying softening and hardening effects depending on the experimental temperature, demonstrating Portevin-Le-Chatelier effect, i.e., dynamic strain aging phenomenon in model alloys. Sources of the dynamic strain aging instabilities were traced back to the interaction between dislocations and alloying elements such as interstitial carbon and substitutional chromium. The materials undergo dynamic recovery and recrystallization below the regions of high-temperature indentation depending on the pre-indentation dislocation density and the alloy composition. Our findings help in the understanding of the structure and mechanical property relationship in complex Eurofer97 alloy at high-temperatures for potential nuclear applications as structural materials.

cond-mat.mtrl-sci↗

arXiv2025

Self-ion irradiation effects on nanoindentation-induced plasticity of crystalline iron: A joint experimental and computational study

In this paper, experimental work is supported by multi-scale numerical modeling to investigate nanomechanical response of pristine and ion irradiated with Fe2+ ions with energy 5 MeV high purity iron specimens by nanoindentation and Electron Backscatter Diffraction. The appearance of a sudden displacement burst that is observed during the loading process in the load-displacement curves is connected with increased shear stress in a small subsurface volume due to dislocation slip activation and mobilization of pre-existing dislocations by irradiation. The molecular dynamics (MD) and 3D-discrete dislocation dynamics (3D-DDD) simulations are applied to model geometrically necessary dislocations (GNDs) nucleation mechanisms at early stages of nanoindentation test; providing an insight to the mechanical response of the material and its plastic instability and are in a qualitative agreement with GNDs density mapping images. Finally, we noted that dislocations and defects nucleated are responsible the material hardness increase, as observed in recorded load-displacement curves and pop-ins analysis.

cond-mat.mtrl-sci↗

arXiv2024

Atomistic-Level Analysis of Nanoindentation-Induced Plasticity in Arc--Melted NiFeCrCo Alloys: The role of stacking faults

Concentrated solid solution alloys (CSAs) have attracted attention for their promising properties; however, current manufacturing methods face challenges in complexity, high costs, and limited scalability, raising concerns about industrial viability. The prevalent technique, arc melting, yields high-purity samples with complex shapes. In this study, we explore nanoindentation tests at room temperature where arc-melted samples exhibit larger grain sizes, diminishing the effects of grain boundaries on the results. Motivated by these findings, our investigation focuses on the atomistic-level exploration of plasticity mechanisms, specifically dislocation nucleation and propagation during nanoindentation tests. The intricate chemistry of NiFeCrCo CSA influences pile-ups and slip traces, aiming to elucidate plastic deformation by considering both pristine and pre-existing stacking fault tetrahedra. Our analysis scrutinizes dynamic deformation processes, defect nucleation, and evolution, complemented by stress-strain and dislocation densities-strain curves illustrating the hardening mechanism of defective materials. Additionally, we examine surface morphology and plastic deformation through atomic shear strain and displacement mappings. This integrated approach provides insights into the complex interplay between material structure and mechanical behavior, paving the way for an enhanced understanding and potential advancements in CSA applications.

cond-mat.mtrl-sci↗

arXiv2023

Comparison of Raman imaging assessment methods in phase determination and stress analysis of zirconium oxide layer

This work describes Raman imaging and its data evaluation methods by using the softwares original features: built-in fitting function and K-means cluster analysis KMC followed by fitting in an external environment. For the first time, these methods were compared in terms of their principles, limitations, versatility, and process duration. The performed analysis showed the indispensability of Raman imaging in terms of phase distribution, phase content calculation, and stress determination. Zirconium oxide formed on different zirconium alloys under various oxidation conditions was selected as an exemplary material for this analysis. The reason for the material choice is that it is an excellent example of the application of this type of Raman analysis since both phase distribution and stress analysis in zirconium oxide are of crucial importance for the development of zirconium alloys, especially for nuclear applications. The juxtaposition of the results showed advantages and limitations of both procedures allowing a definition of the criteria for selecting the evaluation method for different applications.

cond-mat.mtrl-sci↗

arXiv2023

Microstructure and mechanical properties of mechanically-alloyed CoCrFeNi high-entropy alloys using low ball-to-powder ratio

High-entropy alloys are extensively studied due to their very promising properties. However manufacturing methods currently used to prepare HEAs are complicated, costly, and likely non-industrially scalable processes. This limits their evolution and poses questions regarding the material's applicability in the future. Considering the abovementioned point, we developed a novel methodology for efficient HEA production using a low ball-to-powder ratio (BPR). Using different milling times, we manufactured four HEA powder precursors using a BPR of 5:1, which were later sintered via the Spark Plasma Sintering technique and heat treated. Microstructural characterization was performed by optical microscopy, Scanning Electron Microscopy equipped with EDS and EBSD detectors, and X-ray diffraction. Mechanical properties were measured using nano and microhardness techniques. In this work, we follow the structural evolution of the material and connect it with the strengthening effect as a function of milling time. Furthermore, we discuss the impact of different sintering and annealing conditions, proving that HEAs characterized by high mechanical properties may be manufactured using low BPR.

cond-mat.mtrl-sci↗

arXiv2022

Mechanisms of strength and hardening in austenitic stainless 310S steel: Nanoindentation experiments and multiscale modeling

Austenitic stainless steels with low carbon have exceptional mechanical properties and are capable to reduce embrittlement, due to high chromium and nickel alloying, thus they are very attractive for efficient energy production in extreme environments. It is key to perform nanomechanical investigations of the role of chromium and the form of the particular alloy composition that give rise to the excellent mechanical properties of steel. We perform nanoindentation experiments and molecular dynamics (MD) simulations of FCC austenitic stainless steel 310S, using established interatomic potentials, and we use a comparison to the plastic behavior of NiFe solid solutions under similar conditions for the elucidation of key dislocation mechanisms. We combine EBSD images to connect crystalline orientations to nanoindentation results, and provide input data to MD simulations for modeling mechanisms of defects nucleation and interactions. The maps of impressions after nanoindentation indicate that the Ni-Fe-Cr composition in 310S steel leads to strain localization and hardening. A detailed analysis of the dislocation dynamics at different depths leads to the development of an experimentally consistent Kocks-Mecking-based continuum multiscale model. Furthermore, the analysis of geometrically necessary dislocations (GND) shows to be responsible for exceptional hardness at low depths, predicted by the Ma-Clarke's constitutive model.

physics.comp-ph↗