arXiv subjects

Daniel S. Gianola

Publications and source records attributed to Daniel S. Gianola.

At least 19 recordsLinked to original sources

arXiv2026

Stress field modification near linear complexions increases the effective obstacle size and strengthening effect

Linear complexions are stable defect states that form along dislocations and recent experiments have demonstrated strengthening effects exceeding classical precipitation hardening predictions, motivating a detailed study of nanoscale strengthening mechanisms. Here, molecular dynamics simulations in Al-Cu and Ni-Al face-centered cubic alloys are used to demonstrate distinct plasticity mechanisms associated with linear complexions. Both nanoparticle array and platelet array complexions exhibit appreciable strengthening. In addition to direct interactions with the particles, stress field modification in nearby regions can restrict dislocation motion as well. Finally, the relative particle-dislocation orientation is found to have a large effect, with the strongest resistance observed when the dislocation stress field aligns with the original complexion nucleation condition. As a whole, these findings provide mechanistic insight into the strengthening observed experimentally and establish design principles for linear complexion-induced strengthening in structural alloys.

cond-mat.mtrl-sci↗

arXiv2026

Thicker amorphous grain boundary complexions reduce plastic strain localization in nanocrystalline Cu-Zr

Amorphous grain boundary complexions have been shown to increase the plasticity of nanocrystalline alloys as compared to ordered grain boundaries. Here, the effect of an important structural descriptor, amorphous complexion thickness, on the plasticity and failure modes of nanocrystalline Cu-Zr is studied with in-situ compression testing, with over 50 micropillars tested. Two model materials were created that differ only in their complexion thickness, with one having a thicker complexion population than the other. The sample with thinner complexions was more likely to experience non-uniform plastic deformation in the form of localized plastic flow or shear banding. In contrast, the sample with thicker complexions displayed more homogeneous plasticity and higher damage tolerance; thicker amorphous complexions suppress localization by absorbing defects. This work demonstrates that increasing complexion thickness can be beneficial for stable plastic flow in nanocrystalline alloys, by improving resistance to strain localization and premature failure.

cond-mat.mtrl-sci↗

arXiv2025

A MAPS Detector for High Resolution Low Dose EBSD

The use of highly sensitive pixelated direct detectors has dramatically improved the performance of high energy instrumentation such as transmission electron microscopy. Here, we describe a recently developed monolithic active pixel sensor designed for low energy scanning electron microscopy applications. This detector enables electron backscatter diffraction (EBSD) at lower energies and dose than are accessible with existing scintillator-coupled detectors, expanding grain orientation mapping capabilities to materials such as ceramics that are poor electron conductors. The high detector sensitivity allows collection of rich diffraction information - providing dislocation defect contrast that is otherwise not accessible via EBSD. Indeed, even the energy of single electron interaction events can be measured with this detector, which we demonstrate to energy filter diffraction patterns revealing details of how diffraction occurs at low energy.

physics.ins-det↗

arXiv2025

Energy-Resolved EBSD using a Monolithic Direct Electron Detector

Accurate quantification of the energy distribution of backscattered electrons (BSEs) contributing to electron backscatter diffraction (EBSD) patterns remains as an active challenge. This study introduces an energy-resolved EBSD methodology based on a monolithic active pixel sensor direct electron detector and an electron-counting algorithm to enable the energy quantification of individual BSEs, providing direct measurements of electron energy spectra within diffraction patterns. Following detector calibration of the detector signal as a function of primary beam energy, measurements using a 12 keV primary beam on Si(100) reveal a broad BSE energy distribution across the diffraction pattern, extending down to 3 keV. Furthermore, an angular dependence in the weighted average BSE energy is observed, closely matching predictions from Monte Carlo simulations. Pixel-resolved energy maps reveal subtle modulations at Kikuchi band edges, offering insights into the backscattering process. By applying energy filtering within spectral windows as narrow as 2 keV centered on the primary beam energy, significant enhancement in pattern clarity and high-frequency detail is observed. Notably, BSEs in the 9--10 keV range dominate Kikuchi pattern formation, while BSEs in the 2--8 keV range, despite having undergone substantial energy loss, still produce Kikuchi patterns. By enabling energy determination at the single-electron level, this approach introduces a versatile tool-set for expanding the quantitative capabilities of EBSD, thereby offering the potential to deepen the understanding of diffraction contrast mechanisms and to advance the precision of crystallographic measurements.

cond-mat.mtrl-sci↗

arXiv2025

Orientation-Adaptive Virtual Imaging of Defects using EBSD

EBSD is a foundational technique for characterizing crystallographic orientation, phase distribution, and lattice strain. Embedded within EBSD patterns lies latent information on dislocation structures, subtly encoded due to their deviation from perfect crystallinity - a feature often underutilized. Here, a novel framework termed orientation-adaptive virtual apertures (OAVA) is introduced. OAVAs enable the generation of virtual images tied to specific diffraction conditions, allowing the direct visualization of individual dislocations from a single EBSD map. By dynamically aligning virtual apertures in reciprocal space with the local crystallographic orientation, the method enhances contrast from defect-related strain fields, mirroring the principles of diffraction-contrast imaging in TEM, but without sample tilting. The approach capitalizes on the extensive diffraction space captured in a single high-quality EBSD scan, with its effectiveness enhanced by modern direct electron detectors that offer high-sensitivity at low accelerating voltages, reducing interaction volume and improving spatial resolution. We demonstrate that using OAVAs, identical imaging conditions can be applied across a polycrystalline field-of-view, enabling uniform contrast in differently oriented grains. Furthermore, in single-crystal GaN, threading dislocations are consistently resolved. Algorithms for the automated detection of dislocation contrast are presented, advancing defect characterization. By using OAVAs across a wide range of diffraction conditions in GaN, the visibility/invisibility of defects, owing to the anisotropy of the elastic strain field, is assessed and linked to candidate Burgers vectors. Altogether, OAVA offers a new and high-throughput pathway for orientation-specific defect characterization with the potential for automated, large-area defect analysis in single and polycrystalline materials.

cond-mat.mtrl-sci↗

arXiv2025

Enhanced strain rate sensitivity due to platelet linear complexions in Al-Cu

Platelet array linear complexions have been predicted in Al-Cu, with notable features being dislocation faceting and climb into the precipitate, both of which should impact plasticity. In this study, we examine the strain rate dependence of strength for platelet linear complexions using atomistic simulations, with classical precipitate strengthening through particle cutting and particle bowing used as baseline comparisons. Dislocation segments with edge character must climb down from the platelet structures prior to the commencement of glide, introducing a significant time-dependent barrier to plastic deformation. Consequently, the strain rate sensitivity of strength for the platelet linear complexions system was found to be up to five times higher than that of classical precipitation strengthening mechanisms.

cond-mat.mtrl-sci↗

arXiv2025

Bulk nanocrystalline Al-Mg-Y alloys with amorphous grain boundary complexions display high strength and compressive plasticity

Although nanocrystalline alloys regularly exhibit high strengths, their use in structural applications often face challenges due to sample size limitations, unstable microstructures, and the limited ability to plastically deform. The incorporation of amorphous grain boundary complexions has been proposed to address these issues, by simultaneously stabilizing nanocrystalline grain structures for scale-up processing and improving alloy toughness. In the present study, the mechanical behavior of bulk nanocrystalline Al-Mg-Y is examined with macroscale compression testing, probing a length scale that is relevant to real-world structural applications. Bulk samples were fabricated via a simple powder metallurgy approach, with different pressing temperatures and times employed for consolidation in order to investigate microstructural and property evolution. All of the specimens contained primary face-centered cubic Al and secondary Al4C3 and Al3Y phases, with the Al3Y particles exhibiting two populations of small equiaxed and larger elongated particles. Appreciable plasticity was measured along with high ultimate stresses over 800 MPa due to the presence of amorphous grain boundary complexions. Microstructural characterization of fracture surfaces revealed that the area fraction of dimpled regions increased with longer hot-pressing time. Most importantly, the elongated Al3Y particles formed regular cellular patterns with increasing hot-pressing time, delaying shear localization and significantly enhancing plasticity. The hierarchy present in the microstructure of the Al-Mg-Y alloy, from amorphous grain boundary complexions to secondary phases, gives rise to excellent bulk mechanical properties, which are attractive for structural applications.

cond-mat.mtrl-sci↗

arXiv2025

Fast nanothermometry based on direct electron detection of electron backscattering diffraction patterns

Accurate temperature measurement at the nanoscale is crucial for thermal management in next-generation microelectronic devices. Existing optical and scanning-probe thermometry techniques face limitations in spatial resolution, accuracy, or invasiveness. In this work, we demonstrate a fast and non-contact nanothermometry method based on temperature-induced changes in electron backscattering diffraction (EBSD) patterns captured by a high-performance direct electron detector within a scanning electron microscope (SEM). Using dynamical electron simulations, we establish the theoretical temperature sensitivity limits for several semiconductors (Si, Ge, GaAs, and GaN), showing that thermal diffuse scattering (TDS) leads to a measurable smearing of Kikuchi bands in the EBSD patterns. We develop a Fourier analysis method that captures these subtle changes across the full diffraction pattern, achieving a simulated temperature sensitivity of approximately 0.15\% per K. Experimental results on silicon confirm a sensitivity of 0.14\% per K and achieve a 13-K temperature uncertainty with a 10-second acquisition time, and enable spatial temperature mapping under thermal gradients. Our approach offers a pathway toward practical and high-resolution thermal mapping directly in SEMs, expanding the toolbox for device-level thermal diagnostics.

cond-mat.mtrl-sci↗

arXiv2025

Kinetics of Amorphous Defect Phases Measured Through Ultrafast Nanocalorimetry

Recognition of the role of extended defects on local phase transitions has led to the conceptualization of the defect phase, localized thermodynamically stable interfacial states that have since been applied in a myriad of material systems to realize significant enhancements in material properties. Here, we explore the kinetics of grain boundary confined amorphous defect phases, utilizing the high temperature and scanning rates afforded by ultrafast differential scanning calorimetry to apply targeted annealing/quenching treatments at high rates capable of capturing the kinetic behavior. Four Al-based nanocrystalline alloys, including two binary systems, Al-Ni and Al-Y, and two ternary systems, Al-Mg-Y and Al-Ni-Y, are selected to probe the materials design space (enthalpy of mixing, enthalpy of segregation, chemical complexity) for amorphous defect phase formation and stability, with correlative transmission electron microscopy applied to link phase evolution and grain stability to nanocalorimetry signatures. A series of targeted isothermal annealing heat treatments is utilized to construct a Time-Temperature-Transformation curve for the Al-Ni system, from which a critical cooling rate of 2,400 °C/s was determined for the grain boundary confined disordered-to-ordered transition. Finally, a thermal profile consisting of 1,000 repeated annealing sequences was created to explore the recovery of the amorphous defect phase following sequential annealing treatments, with results indicating remarkable microstructural stability after annealing at temperatures above 90% of the melting temperature. This work contributes to a deeper understanding of grain boundary localized thermodynamics and kinetics, with potential implications for the design and optimization of advanced materials with enhanced stability and performance.

cond-mat.mtrl-sci↗

arXiv2024

Strengthening from dislocation restructuring and local climb at platelet linear complexions in Al-Cu alloys

Stress-driven segregation at dislocations can lead to structural transitions between different linear complexion states. In this work, we examine how platelet array linear complexions influence dislocation motion and quantify the associated strengthening effect in Al-Cu alloys using atomistic simulations. The presence of platelet complexions leads to faceting of the dislocations, with nanoscale segments climbing upwards along the platelet growth direction, resulting in a complex non-planar configuration that restricts subsequent dislocation motion. Upon deformation, the leading partial dislocation must climb down from the platelet complexions first, followed by a similar sequence at the trailing partial dislocation, in order to overcome the precipitates and commence plastic slip. The dislocation depinning mechanism of linear complexions is strikingly different from traditional precipitation-strengthened alloys, where dislocations overcome obstacles by either shearing through or looping around obstacles. The critical shear stress required to unpin dislocations from platelet complexions is found to be inversely proportional to precipitate spacing, which includes not just the open space (as observed in Orowan bowing) but also the region along the platelet particle where climb occurs. Thus, platelet linear complexions provide a new way to modify dislocation structure directly and improve the mechanical properties of metal alloys.

cond-mat.mtrl-sci↗

arXiv2023

Dislocation breakaway from nanoparticle array linear complexions: Plasticity mechanisms and strength scaling laws

Linear complexions are stable defect states, where the stress field associated with a dislocation induces a local phase transformation that remains restricted to nanoscale dimensions. As these complexions are born at the defects which control plasticity in metals, it is crucial to understand their impact on subsequent mechanical properties. In this work, atomistic modeling is used to understand how dislocation mechanics are altered by the presence of nanoparticle array linear complexions in a Ni-Al alloy. Molecular dynamics simulations are used to identify the critical shear stress needed to drive dislocation breakaway, first for nanoparticle arrays formed by Monte Carlo/molecular dynamics methods to represent realistic configurations and subsequently for simplified models that allow the effects of particle spacing and size to be varied in a controlled manner. A combined bowing and progressive unpinning mechanism is uncovered, leading to the demonstration of a new strength scaling law that differs in keys ways from classical Orowan bowing.

cond-mat.mtrl-sci↗

arXiv2023

Binary nanocrystalline alloys with strong glass forming interfacial regions: Complexion stability, segregation competition, and diffusion pathways

Stabilization of grain structure is important for nanocrystalline alloys, and grain boundary segregation is a common approach to restrict coarsening. Doping can alter grain boundary structure, with high temperature states such as amorphous complexions being particularly promising for stabilization. Dopant enrichment at grain boundaries may also result in precipitate formation, giving rise to dopant partitioning between these two types of features. The present study elucidates the effect of dopant choice on the retention of amorphous complexions and the stabilization of grain size due to various forms of interfacial segregation in three binary nanocrystalline Al-rich systems, Al-Mg, Al-Ni, and Al-Y as investigated in detail using transmission electron microscopy. Amorphous complexions were retained in Al-Y even for very slow cooling conditions, suggesting that Y is the most efficient complexion stabilizer. Moreover, this system exhibited the highest number density of nanorod precipitates, reinforcing a recently observed correlation between amorphous complexions and grain boundary precipitation events. The dopant concentration at the grain boundaries in Al-Y is lower than in the other two systems, although enrichment compared to the matrix is similar, while secondary segregation to nanorod precipitate edges is much stronger in Al-Y than in Al-Mg and Al-Ni. Y is generally observed to be an efficient doping additive, as it stabilizes amorphous features and nanorod precipitates, and leaves very few atoms trapped in the matrix. As a result, all grains in Al-Y remained nanosized whereas abnormal grain growth occurred in the Al-Mg and Al-Ni alloys. The present study demonstrates nanocrystalline stability via simple alloy formulations and fewer dopant elements, which further encourage the usage of bulk nanostructured materials.

cond-mat.mtrl-sci↗

arXiv2023

High-throughput assessment of the microstructural stability of segregation-engineered nanocrystalline Al-Ni-Y alloys

Segregation engineering has emerged as a promising pathway towards designing thermally stable nanocrystalline alloys with enhanced mechanical properties. However, the compositional and processing space for solute stabilized microstructures is vast, thus the application of high-throughput techniques to accelerate optimal material development is increasingly attractive. In this work, combinatorial synthesis is combined with high-throughput characterization techniques to explore microstructural transitions through annealing of a nanocrystalline ternary Al-base alloy containing a transition metal (TM=Ni) and rare earth dopant (RE=Y). A down-selected optimal composition with the highest thermal stability is annealed through in situ transmission electron microscopy, revealing that the removal of the RE species is correlated to a reduction in the microstructural stability at high temperatures as a result of variations in intermetallic phase formation. Results demonstrate the benefits of co-segregation for enhancing mechanical hardness and delaying the onset of microstructural instability.

cond-mat.mtrl-sci↗

arXiv2023

Linear complexions directly modify dislocation motion in face-centered cubic alloys

Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on dislocation-based mechanisms for plasticity, demonstrating unique behaviors that differ from classical dislocation glide mechanisms. Linear complexions impart higher resistance to the initiation and continuation of dislocation motion when compared to solid solution strengthening in all of the face-centered cubic alloys investigated here, with the exact strengthening level determined by the linear complexion type. Stacking fault linear complexions impart the most pronounced strengthening effect, as the dislocation core is delocalized, and initiation of plastic flow requires a dislocation nucleation event. The nanoparticle and platelet array linear complexions impart strengthening by acting as pinning sites for the dislocations, where the dislocations unpin one at a time through bowing mechanisms. For the nanoparticle arrays, this event occurs even though the obstacles do not cross the slip plane and instead only interact through modification of the dislocation's stress field. The bowing modes observed in the current work appear similar to traditional Orowan bowing around classical precipitates but differ in a number of important ways depending on the complexion type. As a whole, this study demonstrates that linear complexions are a unique tool for microstructure engineering that can allow for the creation of alloys with new plastic deformation mechanisms and extreme strength.

cond-mat.mtrl-sci↗

arXiv2022

Inducing Skyrmion Flop Transitions in Co$_8$Zn$_8$Mn$_4$ at Room Temperature

Magnetic skyrmions are topologically-protected spin textures that manifest in certain non-centrosymmetric ferromagnets under the right conditions of temperature and field. In thin film skyrmion hosts, demagnetization effects combined with geometric confinement can result in two distinct types of spin textures: those with their axis of symmetry in the plane of the film (IP) and those with their axis pointing out-of-plane (OOP). Here we present Lorentz transmission electron microscopy evidence in conjunction with numerical modeling showing a flop transition between IP and OOP skyrmions in Co$_8$Zn$_8$Mn$_4$ at room temperature. We show that this skyrmion flop transition is controllable via the angle of the external field relative to the film normal and we illustrate how this transition depends on thickness. Finally, we propose a skyrmion-writing device that utilizes the details of this transition.

cond-mat.mtrl-sci↗

arXiv2022

Intermetallic particle heterogeneity controls shear localization in high-strength nanostructured Al alloys

The mechanical behavior of two nanocrystalline Al alloys, Al-Mg-Y and Al-Fe-Y, is investigated with in-situ micropillar compression testing. Both alloys were strengthened by a hierarchical microstructure including grain boundary segregation, nanometer-thick amorphous complexions, carbide nanorod precipitates with sizes of a few nanometers, and submicron-scale intermetallic particles. The maximum yield strength of the Al-Mg-Y system is measured to be 950 MPa, exceeding that of the Al-Fe-Y system (680 MPa), primarily due to a combination of more carbide nanorods and more amorphous complexions. Both alloys exhibited yield strengths much higher than those of commercial Al alloys, and therefore have great potential for structural applications. However, some micropillar specimens were observed to plastically soften through shear banding. Post-mortem investigation revealed that intermetallic-free deformation pathways of a few micrometers in length were responsible for this failure. Further characterization showed significant grain growth within the shear band. The coarsened grains maintained the same orientation with each other, pointing to grain boundary mechanisms for plastic flow, specifically grain rotation and/or grain boundary migration. The presence of intermetallic particles makes it difficult for both matrix and intermetallic grains to rotate into the same orientation due to the different lattice parameters and slip systems. Therefore, we are able to conclude that a uniform distribution of intermetallic particles with an average spacing less than the percolation length of shear localization can effectively prevent the maturation of shear bands, offering a design strategy for high-strength nanocrystalline Al alloys with both high strength and stable plastic flow.

cond-mat.mtrl-sci↗

arXiv2022

Growth and structural transitions of core-shell nanorods in nanocrystalline Al-Ni-Y

Unique nanorod precipitates with a core-shell structure are found to nucleate from the grain boundaries of a bulk nanocrystalline Al-Ni-Y alloy fabricated via powder consolidation, contributing significantly to stabilization and strengthening. The local structure, chemistry, and evolution of these features during annealing is reported here. In the as-consolidated state, the nanorods can be either structurally ordered or disordered, yet a consistent chemical patterning is found where the core is primarily Al plus C while the shell is enriched with Y. As annealing time increases, more nanorods transform to an ordered structure as they coarsen while the core composition remains unchanged. In contrast, the shell chemistry transitions from Y-rich to Ni-rich with longer annealing treatments, most likely due to the different diffusivities of Y and Ni in Al. Moreover, a spatial and chemical correlation between the nanorods and amorphous complexions is observed, suggesting that these complexions serve as preferential nucleation sites.

cond-mat.mtrl-sci↗

arXiv2021

Bulk nanocrystalline Al alloys with hierarchical reinforcement structures via grain boundary segregation and complexion formation

Grain size engineering, particularly reducing grain size into the nanocrystalline regime, offers a promising pathway to further improve the strength-to-weight ratio of Al alloys. Unfortunately, the fabrication of nanocrystalline metals often requires non-equilibrium processing routes, which typically limit the specimen size and require large energy budgets. In this study, multiple dopant atoms in ternary Al alloys are deliberately selected to enable segregation to the grain boundary region and promote the formation of amorphous complexions. Three different fully dense bulk nanocrystalline Al alloys (Al-Mg-Y, Al-Fe-Y, and Al-Ni-Y) with small grain sizes were successfully fabricated using a simple powder metallurgy approach, with full densification connected directly to the onset of amorphous complexion formation. All the compositions demonstrate densities above 99% with grain sizes of <60 nm following consolidation via hot pressing at 585 oC. The very fine grain structure results in excellent mechanical properties, with nanoindentation hardness values in the range of 2.2-2.8 GPa. Detailed microstructural characterization verifies the segregation of all dopant species to grain boundaries as well as the formation of amorphous complexions, which suggests their influential role in aiding effective consolidation and endowing thermal stability in the alloys. Moreover, nanorods with a core-shell structure are also observed at the grain boundaries, which likely contribute to the stabilization of the grain structure and high strength. Finally, intermetallic particles with a sizes of hundreds of nanometers form. As a whole, the results presented here demonstrate a general alloy design strategy of segregation and boundary evolution pathway that enables the fabrication of multiple nanocrystalline Al alloys with hierarchical microstructures and improved performance.

cond-mat.mtrl-sci↗