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DOE OSTI2022

Geometric compatibility measure m' for twin transmission: A predictor or descriptor?

In this work, the geometric compatibility factor m' is critically analyzed to assess whether it can be used to interpret/predict twin transmission (TT) across grain boundaries (GBs). This geometric measure is widely used to relate the likelihood of TT to the misalignment of both the shear and plane-normal directions within a twin set (i.e., incoming and outgoing twin). Here, using a large set of electron back scattering diffraction (EBSD) data, a detailed statistical analysis of twin-GB interactions is performed for {${1\bar{01}}2$} tensile twins in hexagonal close-packed (HCP) metals Mg, Zr, and Ti at different strain levels. In addition, a full-field crystal plasticity model is employed to quantify the role of local stresses and the applicability of m' as a criterion for the TT process. This combined study addresses the following three main questions: (i) What is the fidelity of m' in describing experimentally observed TTs? (ii) Can m' be used as a metric to predict/anticipate TT? (iii) Does m' naturally capture local stress effects? As a descriptor, m' cannot rationalize ~25% of TT events observed in Mg or more than 50% of TT events in Zr and Ti. As a predictor, the m'-measure does not predict TT events in over ~50% of twin-GB interactions analyzed. Further, the applicability of m' to describe and predict TT events decreases with an increase in elastic anisotropy, plastic anisotropy, and macroscopic strain levels. Finally, the twinning simulations reveal that m' does not capture the key effects of local stresses on variant selection upon twin transmission. The local stress induced by the twinning shear transformation plays a dominant role in driving the TT process compared to the geometric alignment of the constituting twins, i.e., m'.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Detector Instrumentation, Energy Reconstruction and Data Analysis in the DUNE and NOvA Neutrino Experiments

Neutrino oscillations are so far the only experimental observation beyond the standard model since its development four decades ago. The remaining fundamental questions that can be answered by long-baseline neutrino oscillations are (1) the CP violation (whether neutrinos and antineutrinos behave the same way in oscillation), and (2) the mass hierarchy ($m_3>m_{1,2}$ or $m_{1,2}>m_3$), and (3) the octant of $\theta_{23}$ ($\theta_{23}>45^\circ, =45^\circ$ or $<45^\circ$). The PI's group at UCI focuses on long-baseline neutrino experiments DUNE and NOvA, key components of DOE's Intensity Frontier program. NOvA is the current major U.S.-based long-baseline neutrino experiment aiming to solve the mass hierarchy and $\theta_{23}$ octant. It is taking $\nu$ and $\bar{\nu}$ data from the NuMI beam at Fermilab. DUNE is the next-generation flagship neutrino experiment in the U.S. which is designed to decisively determine neutrino CP violation, mass hierarchy and $\theta_{23}$ octant. DUNE is Fermilab's first priority, and has been established as an international collaboration. During the period covered by the report, the PI's group has been exceptionally productive, with leading contributions to DUNE argon-purity monitoring detectors, NOvA/DUNE deep-learning reconstruction, and NOvA oscillation and near detector (ND) analyses. The group also is actively involved in DUNE/NOvA detector operation, data production, calibration, software upgrade and maintenance, and ProtoDUNE cold electronic QA/QC. Specifically, we have made accomplishments in the following four research projects: 1) Purity monitor R\&D and data analysis for DUNE, 2) Deep-learning-based energy reconstruction at NOvA and DUNE, 3) Oscillation analysis at NOvA, and 4) $\nu$-e elastic scattering analysis at NOvA.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

The role of deviatoric stress and dislocations on the α to ω phase transformation in Ti

Under extreme conditions, α-Ti becomes unstable and transforms either into β-Ti at high temperature or into ω-Ti at high pressure. In what concerns the α to ω phase transformation (PT), there has been a wide range of experimentally reported transition pressures from approximately 2 to 15 GPa at room temperature. Deviatoric stresses and internal defects are often assumed to be the root cause of this variation. Here, in this study, these postulates are revisited using both continuum mechanics and molecular dynamics (MD) simulations. First, a simple continuum model, assuming linear elasticity and isotropic plasticity, is developed to describe the effects of applied stress and dislocations on the stability of an ω nucleus in an infinite α domain. Second, a new MD simulation method is developed to generate an ω nucleus in the α domain utilizing the displacement field identified from the topological analysis. Results from MD simulations show that despite the fact that phase diagrams typically delineate the limits between two phases in terms of only P and T, deviatoric stress promotes the α to ω phase transformation by reducing the critical radius above which an ω nucleus is stable. Furthermore, the required deviatoric stress to nucleate and stabilize a nanoscale ω nucleus is likely emanating from the internal stress of defects such as dislocations. The MD-informed micromechanics models are used to identify favorable configurations where dislocations help favor the α to ω transformation. These configurations show that the interaction with a basal or prismatic dislocation reduces the critical radius of a ω nucleus by about 10 or 16 %, respectively. In addition, prismatic edge dislocations are found to promote the growth of ω nucleus when interacting with the ($\bar{1}$$\bar{1}$20) α //(0001) ω interface. Importantly, a simple model of the arrival of dislocation at an ω nucleus suggests that PT does not necessarily require a pile-up to be present but could alternatively be mediated by a constant rapid flow of dislocations.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Performance and Commissioning of the BigBite Timing Hodoscope for Nucleon Form Factor Measurements at Jefferson Lab

The BigBite Timing Hodoscope detector is the primary subject of this thesis. The Super BigBite Spectrometer is a Jefferson Lab Hall A Collaboration project that has and will continue to measure nucleon electromagnetic form factors. This spectrometer includes the Timing Hodoscope which provides high resolution particle timing data for scattered electrons in the electron arm of BigBite. The Timing Hodoscope utilizes 90, 25 × 25 × 600 mm3 scintillator bars stacked on top of each other to form a single detector plane, and these bars are connected to 180 photo-multiplier tubes via light guides. Particles collide with the scintillating material creating a shower of optical photons and these particle events in the bars are collected to generate signals that are readout by the data acquisition (DAQ) electronics. NINO ASIC amplifier-discriminator cards output signals from the photo-multiplier tubes into analogue and logic signals, which are sent to analogue-to-digital (ADC) and time-to-digital (TDC) converter data acquisition readout modules. This data is then used for analysis of the detector. The focus of this thesis is the construction, commissioning, calibration, and performance of the BigBite Timing Hodoscope before and during the first of five nucleon electromagnetic form factor experiments at Jefferson Lab Hall A. Before the neutron magnetic form factor, G n M, experiment, cosmic ray data was collected during commissioning to confirm proper operation of the Timing Hodoscope electronics by observing the ADC and TDC data. Commissioning studies for charge normalization, gain matching, and other ADC and TDC detector data variables were performed before moving the detector into Hall A. Following installation in Hall A, several calibration studies were implemented to fine-tune the detector in preparation for use in the experiment. The calibration studies included analysis of timing cuts, TDC alignment, the time-walk effect, time difference offsets, and scintillator velocity corrections. Once the Timing Hodoscope was well-calibrated, data-taking during the experiment commenced and the beam-on-target data was used to characterize the Timing Hodoscope performance during the G n M experiment run-time. The performance analysis included studies observing energy deposit, cluster size, rates, accidentals, pile-up, tracking efficiency, position resolution, and time resolution. After application of physics cuts to ensure a data set comprised of particle tracks corresponding to elastic electrons, which is the main data of interest for measurement of G n M, the Timing Hodoscope is shown on average across all kinematic settings to have a >98% tracking efficiency, a position resolution of 4-6 cm in the non-dispersive plane and 1.5-2 cm in the dispersive plane, and a time resolution of 500-750 ps. These performance results are compared to a GEANT4 based performance simulation of the BigBite Timing Hodoscope for reference, showing to what degree the measured performance values match those taken from the simulation.

Marinaro, Ralph↗

DOE OSTI2025

Microstructure Clones

Background: A material’s microstructure drives its material performance. Contemporary crystal plasticity experiments compare full-field strain measurements of polycrystal specimens to models. Because each specimen is unique, it is impossible to know which features of the observed deformation are deterministic vs statistical; thus, differences between model and experiment may or may not be significant. Objective: This paper introduces the invention of microstructure clones. Microstructure clones are 2D oligocrystal specimens that have nearly identical microstructures to remedy the aforementioned experimental limitations. Having specimens with nearly identical microstructures will allow for multiple destructive tests of a microstructure (either as repeats or intentionally different experiments), an ability to “see the future” by providing insight into how a specimen will deform, variability quantification, and experimental investigations of response to small microstructural changes. Methods: This work introduces microstructure clones. Repeatability of these clones is demonstrated in tensile bars of pure nickel. Local strain measurements from digital image correlation are compared between clone specimens and compared to results from a crystal plasticity finite element model. Results: Two sets of microstructure clones were tested in this study and displayed very consistent deformation responses within each clone set. Small observed differences in deformation invite investigation into microstructure stochasticity and the effect of small microstructural and loading differences. Conclusions: Microstructure clones represent a significant shift in understanding structure–property relationships. This work reshapes experimental crystal plasticity to allow for experiments that control for specific variables, quantification of microstructural stochasticity (and other sources of stochasticity), and opportunities for replicating experiments.

Crystal Plasticity↗

DOE OSTI2025

Phase-field modeling and experiments of dynamic fracture in single crystal quartz

Predicting the onset and characteristics of brittle fracture is important for a wide range of engineering and geological material applications. In this paper, we study important aspects of brittle fracture in α-quartz by phase-field modeling and experiments using a top-down approach. In the modeling framework, the work term in the Griffith energy balance is replaced with internal energy contributions that represent surface energy, thermal energy, and elastic strain energy stored in defects. This allows parametrization of individual energy contributions in terms of internal state variables and keeps track of energy partitioning after the onset of fracture. The path and history dependence of fracture is included in evolution laws for internal state variables, e.g., entropy evolution, while the energy remains a true potential. In the experimental part, dynamic compression experiments coupled with X-ray phase contrast imaging are performed on cube-like samples with a hole. In the top-down analysis, dynamic compression and three point bending experiments from the literature are simulated with the developed phase-field damage model. In conclusion, the fitted model highlights the strain rate, size, and stress state dependence of damage nucleation and evolution in single crystal α-quartz.

36 MATERIALS SCIENCE↗