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At least 271 records · Page 15

Model Validation and Uncertainty Quantification on the KRUSTY Microreactor Design Using GRIFFIN Neutron Transport Code [Poster]

Argonne National Laboratory (ANL) and INL have developed a GRIFFIN steady state neutronics model for the multiphysics simulations of the Kilopower Reactor Using Sterling TechnologY (KRUSTY) microreactor in the Multiphysics Object Oriented Simulation Environment (MOOSE). The reliability of such deterministic neutronics models can be validated by comparing with computations from Monte Carlo codes (e.g. MCNP, SERPENT, OpenMC, Shift, etc). Furthermore, potential modeling/design improvements can be identified by incorporating uncertainty quantification (UQ), which can be performed by MOOSE’s Stochastic Tools Module (STM). KRUSTY is a prototype for a 5-kW thermal nuclear-powered space reactor. Its primary components consist of nuclear fuel, heat pipes, a control rod, a reflector, and the shielding. The fuel consists of 3 stacked U-7.65Mo cylinders with a hole in the center for the control rod. 8 liquid sodium heat pipes transfer fission energy from the solid fuel block to the Sterling power conversion system where the energy is extracted, and the cooled sodium flows back to the core via capillary action . The movable Boron Carbide control rod regulates the neutron population during startup or when a reactor temperature boost is needed . The beryllium oxide reflector is in 3 places in the reactor; it surrounds the core axially, it lies beneath the core on a platen, and it is present in the shim. The axial and lower reflectors rest on an adjustable stainless-steel platen that moves upward to cover the fuel and help the reactor reach criticality. Lastly, radial stainless steel surrounds the core offering protection from radiation exposure .

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

First Measurement of the Decay Asymmetry in the Pure W -Boson-Exchange Decay Λ c + → Ξ 0 K +

Based on 4.4 fb − 1 of e + e − annihilation data collected at the center-of-mass energies between 4.60 and 4.70 GeV with the BESIII detector at the BEPCII collider, the pure W -boson-exchange decay Λ c + → Ξ 0 K + is studied with a full angular analysis. The corresponding decay asymmetry is measured for the first time to be α Ξ 0 K + = 0.01 ± 0.16 ( stat ) ± 0.03 ( syst ) . This result reflects the noninterference effect between the S - and P -wave amplitudes. The phase shift between S - and P -wave amplitudes has two solutions, which are δ p − δ s = − 1.55 ± 0.25 ( stat ) ± 0.05 ( syst ) rad or 1.59 ± 0.25 ( stat ) ± 0.05 ( syst ) rad . Published by the American Physical Society 2024

Physics↗

Complex and Unusual Excited-State Relaxation Dynamics of 9,9′-Bifluorenylidene Revealed by Comprehensive Time-Resolved Spectroscopy and MRSF-TDDFT Calculations

Design of novel photochemical molecular motors often requires molecular building blocks that exhibit rather unusual photoactivity, for which conventional analyses of spectroscopic data can lead to conflicting interpretations. We here systematically investigated the excited-state relaxation dynamics of one such molecule, 9,9′-bifluorenylidene (BF), through comprehensive and complementary integration of ultrafast transient absorption (TA) and femtosecond stimulated Raman (FSRS) spectroscopies and first-principles mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT). TA and FSRS identified two sequentially formed transients following photoexcitation. The decay kinetics of the two intermediates differ in response to excitation wavelengths and the viscosity/polarity of solvents. MRSF-TDDFT calculations reveal a direct, barrierless internal-conversion pathway from the bright Franck−Condon state to a dark S1 minimum, where the excited-state population is transiently trapped, accounting for the first transient species observed in spectroscopic experiments. Further tracking down along the PES with MRSF-TDDFT mapped out two nonradiative relaxation pathways via conical intersections that connect the dark S 1 state to three configurations in the ground-state manifolds, within which a ring structure with a C8−C8′ bond and the vibrationally excited ground-state BF were identified from spectroscopic and kinetic data. The complexity of relaxation kinetics was attributed to the flexible torsional and twisting motions about the C9−C9′ bridge bond enabled by the diradical character of the S 1 state. These findings clarify unusual photoactive relaxation dynamics stemming from a novel correlation between structural flexibility and shifting electronic characteristics, and they demonstrate the importance of integrating spectroscopic and advanced electronic structure calculation studies for judicious clarification of complex, competing relaxation pathways of excited states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Water-Stable 1D Hybrid Tin(II) Iodide Emits Broad Light with 36% Photoluminescence Quantum Efficiency

The optical and light emission properties of tin and lead halide perovskites are remarkable because of the robust room-temperature (RT) performance, broad wavelength tunability, high efficiency, and good quenching resistance to defects. These highly desirable attributes promise to transform current light-emitting devices, phosphors, and lasers. One disadvantage in most of these materials is the sensitivity to moisture. Here, we report a new air-stable one-dimensional (1D) hybrid lead-free halide material (DAO)Sn 2 I 6 (DAO, 1,8-octyldiammonium) that is resistant to water for more than 15 h. The material exhibits a sharp optical absorption edge at 2.70 eV and a strong broad orange light emission centered at 634 nm, with a full width at half-maximum (fwhm) of 142 nm (0.44 eV). The emission has a long photoluminescence (PL) lifetime of 582 ns, while the intensity is constant over a very broad temperature range (145–415 K) with a photoluminescence quantum yield (PLQY) of at least 20.3% at RT. Above 415 K the material undergoes a structural phase transition from monoclinic (C2/c) to orthorhombic (Ibam) accompanied by a red shift in the band gap and a quench in the photoluminescence emission. Density functional theory calculations support the trend in the optical properties and the 1D electronic nature of the structure, where the calculated carrier effective masses along the inorganic chain are significantly lower than those perpendicular to the chain. As a result, thin films of the compound readily fabricated from solutions exhibit the same optical properties, but with improved PLQY of 36%, for a 60 nm thick film, among the highest reported for lead-free low-dimensional 2D and 1D perovskites and metal halides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Why the electron chooses one of two symmetry-related paths in the type II bacterial photosynthetic reaction centers

A series of electron and proton transfer reactions are carried out in photosynthetic reaction centers that convert the energy of light into high energy reduced products and add to the proton gradient. All photosynthetic reaction centers (photosystems I, II, and different bacterial reaction centers (bRCs)) have their charge separating cofactors arranged with two, c 2 -symmetric paths from a primary donor to a terminal acceptor. In Type II reaction centers (PSII and bRCs), electrons utilize only one active branch. In bRCs the electron transfer occurs in the A branch from the excited state of the bacteriochlorophyll (BChl) dimer P 860 through BChl A , bacteriopheophytin A (BPh A ), to ubiquinone Q A , and then to the B-branch Q B . B-branch BChl B and BPh B do not participate. A similar path is found in PSII. These proteins challenge our understanding of how proteins can turn on or turn off the activity of bound ligands. The shift of the electrochemical midpoint potential (E m ) of each cofactor by the protein environment is calculated using continuum electrostatics within the Multi-Conformation Continuum Electrostatic (MCCE) program. In bRCs from Rhodobacter sphaeroides, the electrostatic potentials favor reduction of the active branch cofactors. The residues that contribute to a more positive potential on the A branch are identified. These are often distant from the cofactors. The large difference of the potential at the competing BChls may direct the electron transfer to the A branch. Residues TyrM210 and PheL181 are at symmetrical positions on the A and B branches, near P 860 , between BChl A and BChl B . Mutated bRCs, that swap the Tyr and Phe (YF mutant), have been shown to support some electron transfer to the B-branch cofactors. Here, the calculated E m s with the YF swap show more positive B-branch potentials, which help explain why there is now electron transfer along the B branch.

Bacterial Reaction Center↗

Constraining the particle-scale diversity of black carbon light absorption using a unified framework

Abstract. Atmospheric black carbon (BC), the strongest absorber of visible solar radiation in the atmosphere, manifests across a wide spectrum of morphologies and compositional heterogeneity. Phenomenologically, the distribution of BC among diverse particles of varied composition gives rise to enhancement of its light absorption capabilities by over twofold in comparison to that of nascent or unmixed homogeneous BC. This situation has challenged the modeling community to consider the full complexity and diversity of BC on a per-particle basis for accurate estimation of its light absorption. The conventionally adopted core–shell approximation, although computationally inexpensive, is inadequate not only in estimating but also capturing absorption trends for ambient BC. Here we develop a unified framework that encompasses the complex diversity in BC morphology and composition using a single metric, the phase shift parameter (ρBC), which quantifies how much phase shift the incoming light waves encounter across a particle compared to that in its absence. We systematically investigate variations in ρBC across the multi-space distribution of BC morphology, mixing state, mass, and composition as reported by field and laboratory observations. We find that ρBC>1 leads to decreased absorption by BC, which explains the weaker absorption enhancements observed in certain regional BC compared to laboratory results of similar mixing state. We formulate universal scaling laws centered on ρBC and provide physics-based insights regarding core–shell approximation overestimating BC light absorption. We conclude by packaging our framework in an open-source Python application to facilitate community-level use in future BC-related research. The package has two main functionalities. The first functionality is for forward problems, wherein experimentally measured BC mixing state and assumed BC morphology are input, and the aerosol absorption properties are output. The second functionality is for inverse problems, wherein experimentally measured BC mixing state and absorption are input, and the morphology of BC is returned. Further, if absorption is measured at multiple wavelengths, the package facilitates the estimation of the imaginary refractive index of coating materials by combining the forward and inverse procedures. Our framework thus provides a computationally inexpensive source for calculation of absorption by BC and can be used to constrain light absorption throughout the atmospheric lifetime of BC.

54 ENVIRONMENTAL SCIENCES↗

New heat flux model for non-axisymmetric divertor infrared structures

A convective heat flux model for perturbed plasmas, based on guiding center ion drift in vacuum elds (A. Wingen, et al., Phys. Plasmas 21 (2014) 012509), has been updated. The old model only considered ion heat flux, while here also electron heat flux is included. The updated model predicts divertor heat flux distributions in non-axisymmetric (3D) plasmas with applied Resonant Magnetic Perturbation (RMP) fields, and includes electric scalar potentials. It is found that a radial electric field in the near Scrape-o Layer (SOL) can considerably shift the footprints toroidally, leading to a smearing out eff ect of the incident heat flux, while a simple model for sheath potential has little impact on footprints. Various approaches to model electron heat flux are studied. A convective electron model, based on collisionless free streaming, is found to yield the best agreement with measurements, while a conductive model requires a at temperature gradient inside lobes to yield acceptable peak heat ux values. A heuristic heat flux layer approach, based on a fixed layer width also requires a limited heat flux inside the last closed flux surface (LCFS); by selecting various locations of the LCFS, the results of the conductive or convective model can be recovered respectively. The sum of ion and electron heat fluxes, both obtained by the convective model, is compared to experimental data for multiple time slices in DIII-D. Strike point splitting is observed with peak heat fluxes and layer widths that compare well to infrared camera (IR) measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

VTS Dynamic Model and Experimental Validation for Vibration Suppression

High Q-factor superconducting radio-frequency (SRF) cavities are extremely sensitive to mechanical vibrations, which can cause an uncontrolled shift of the electromagnetic resonance frequency, with detrimental effects on the cavity performance. To avoid this phenomenon (i.e. microphonics) the dynamic behavior of the assembly must be studied, to design vibration suppression systems. In this paper, the numerical model of the Vertical Test Stand (VTS) insert adopted at the Fermi National Accelerator Laboratory for cold tests was studied, in the framework of the experimental characterization of Dark SRF cavities conducted by the SQMS (Superconducting Quantum Materials and Systems) center. Due to the complexity of the assembly, experimental activity is of utmost importance to validate the model. Thus, vibration testing was performed on the actual system, and a good correlation between numerical and experimental results was found. Additionally, two different setups were compared, with and without implementing a preliminary passive vibration suppression system, to assess its effectiveness in reducing the microphonics phenomenon. The obtained results allowed for the design of an improved isolation system, which will be the subject of future experimental testing.

43 PARTICLE ACCELERATORS↗

Exploring small-angle emissions in charm quark jets in proton-proton collisions at $\sqrt{s}=5.02$ TeV

A measurement of the angular structure of inclusive jets and those containing a prompt D 0 meson in proton-proton collisions at the LHC at a center-of-mass energy of 5.02 TeV is presented. The data corresponding to an integrated luminosity of 301 pb −1 were collected by the CMS experiment in 2017. Two jet grooming algorithms, late-k T and soft drop, are used to study the intrajet radiation pattern using iterative Cambridge-Aachen declustering. The splitting-angle distributions of jets with transverse momentum (p T ) of around 100 GeV, obtained with these two algorithms, show that there is a shift of the distribution for jets containing a prompt D 0 meson with respect to inclusive jets. The suppression of emissions at small angles observed in the late-k T grooming approach is consistent with the dead-cone effect, whereas the similar suppression for splittings selected with the soft-drop algorithm appears to be induced by gluon splitting to charm quark-antiquark pairs at large angles. The measured distributions are corrected to the particle level and can be used to constrain model predictions for the substructure of high-p T charm quark jets.

Charm Physics↗

Artificial intelligence tools for enzyme engineering and metabolic engineering

Enzyme engineering and metabolic engineering drive innovation in energy biotechnology. In recent years, artificial intelligence (AI) has supported successful applications in designing effective enzymes and productive microbial cell factories. This review summarizes recent advances in enzyme redesign using protein language models, de novo enzyme design with generative models, and AI tools for engineering metabolism and related cellular phenotypes. Across these areas, AI models are shifting from single modality inputs to integrated representations of protein function, metabolic pathways, and cell states. We emphasize that unifying the diverse data representations across scales will be necessary for advancements in energy biotechnology.

Volk, Michael [Univ. of Illinois at Urbana-Champai↗

Dataset for Cruz-O'Byrne et al (2026): "Divergent biogeochemical responses in upland coastal forest soils to repeated flooding and shifts in water chemistry"

Hydrologic disturbances from accelerated sea-level rise and the increasing frequency and intensity of storms and tidal flooding are altering biogeochemical processes in upland coastal forests, transforming these ecosystems into wetlands. However, the initial effects of flooding on belowground biogeochemistry and the mechanisms driving greenhouse gas dynamics and soil organic matter stability during the early stages of this transition remain poorly understood. This dataset presents the results of a mesocosm experiment conducted in a controlled, highly instrumented laboratory environment, in which freshwater and brackish water pulses were applied to intact soil monoliths from a temperate upland coastal forest to examine how floodwater chemistry influences soil biogeochemistry and organo-mineral interactions. All data files are plain-text CSV (comma-separated value), and no special software is required to read them. Details about the content of each file are available in the document “Dataset_readme”. The dataset consists of the following data: • rcruzobyrne_moisture: Soil volumetric water content (VWC) • rcruzobyrne_GHG: Headspace greenhouse gas (GHG) concentration and fluxes • rcruzobyrne_methane_isotopes: Headspace methane isotope signature • rcruzobyrne_porewater: Porewater chemistry • rcruzobyrne_CDOM: Porewater colored dissolved organic matter (CDOM) • rcruzobyrne_FTIR: Soil Fourier-transform infrared (FTIR) spectroscopy Details of the experimental setup, data collection, and data analysis are provided in the manuscript by Cruz-O’Byrne et al (2026) Divergent biogeochemical responses in upland coastal forest soils to repeated flooding and shifts in water chemistry. Biogeochemistry. https://doi.org/10.1007/s10533-026-01340-0

EARTH SCIENCE > ATMOSPHERE > GREENHOUSE GAS↗

Flash Formation of I-Rich Clusters during Multistage Halide Segregation Studied in MAPbI 1.5 Br 1.5

Wide band gap mixed halide perovskites such as MAPb(I 1–x Br x ) 3 sparked great research interest because of their outstanding optoelectronic properties, ease of fabrication, and band gap tunability. Their application thus far is however limited by light-induced halide segregation in which microscopic clusters with a high iodide content are formed and act as recombination centers. The key mechanism(s) underlying this halide segregation process are still debated. Here, we present a study on the photoluminescence evolution in MAPb(I 1.5 Br 1.5 ) perovskites with varying microstructures under constant illumination at room temperature and at elevated temperature. Our findings reveal a more complicated picture of the segregation mechanism occurring in three stages instead of two as commonly reported. The process starts with a flash formation of I-rich domains. Following is a rapid blue shift before the gradual and typically observed red shift occurs. The evolution of the three stages is fully reversible in the dark and is also present at elevated temperatures (50 °C). We explain the existence of multiple stages during light-induced halide segregation by natural compositional fluctuations of the halides and the formation of halide clusters with a dynamically changing distribution in I–Br content. The variation in the I–Br ratio depends on the grain size and film heterogeneity. Overall, these findings add further details in the quest of unraveling the underlying segregation mechanism(s), which need to be identified to stabilize halides in wide band gap perovskites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Corrective Maintenance Paradigm Shift at Hanford's Tank Farms - 20077

Hanford's Tank Farms facilities have been used to safely store waste for over 70 years, with the first single-shell tanks being constructed in 1943. Tank Farm facilities consist of 149 single-shell tanks, 28 double-shell tanks, an evaporator facility, and wastewater treatment facilities. Tank Farm facilities are aging, with a tremendous corrective maintenance burden on the Tank Farm contractor. The mission of Tank Farm facilities is soon changing from waste storage to waste staging for the Hanford Waste Treatment and Immobilization Plant (WTP). WTP operations will demand a significant increase in Tank Farm facility operations, in which corrective maintenance outage windows will shrink drastically. This realization has forced the Tank Farm contractor to consider a paradigm shift in Tank Farm facilities Maintenance planning, and the use of reliability Engineering tools. The Tank Farm Production Operations Engineering Cognizant System Engineering (CSE) organization has led the way in motivating this paradigm shift. This shift has been realized through the use of: 1) technical exchange with other Department of Energy (DOE) contractors to develop improvements in the CSE program, 2) a shift from the use of lagging to leading system health indicators, and 3) a Plant Health Committee to unite Engineering, Operations, and Maintenance personnel toward a productive maintenance strategy. The CSE organization has held several technical exchanges with other DOE contractors to discuss CSE concepts, and how to better maintain aging infrastructure. The technical exchange with other contractors has greatly reduced the time required to make improvements in the Tank Farm CSE program. Other DOE contractors have already faced issues surrounding aging infrastructure, and have vast experience in improving the reliability and usable life of structures and components in nuclear facilities. The past CSE program used lagging health indicators to determine the health of systems. The key lagging indicator used to determine system health was availability, which is the percentage of time that a facility was ready for operation compared to the time the facility was demanded for operation. Availability was a good indicator of health in the waste storage mission of Tank Farms, where safe storage was the most important function of the facility, and where maintenance outage windows were typically long-duration. In current and future operations, outage windows are reducing, resulting in the need for much more reliable systems. Systems that have had high availability may suddenly become inoperable due to a failed component or sub-system. In several instances, the use of availability as an indicator of system health failed to predict system/equipment failure before its occurrence. In discussions with other DOE contractors, a set of reliability tools, including leading indicators of health, has been implemented in the CSE program. This primarily involves the use of failure modes and effects analysis and the study of equipment failure to develop system monitoring plans that focus on trending data to detect oncoming equipment failure ahead of time. In addition, the use of a Plant Health Committee has added significantly to the paradigm shift from a corrective maintenance philosophy to the use of predictive and preventive maintenance. The Plant Health Committee is a chartered team consisting of Engineering, Operations, and Maintenance personnel. CSEs use this forum to present the results of their performance monitoring, including the presentation of health via leading health indicators. The most positive aspect of this committee is the communication that it creates within these critical organizations. The Operations and Maintenance organization benefit from focusing maintenance on the reliability-centered focus provided by Engineering. Engineering benefits from the operational experience of the Operations organization and from the failure data that can be provided by Maintenance personnel. The continued use of the Plant Health Committee is expected to further decrease maintenance outage times, in better support of oncoming 24/7 operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering

Understanding the local chemical ordering propensity in random solid solutions, and tailoring its strength, can guide the design and discovery of complex, paradigm-shifting multicomponent alloys. First, we present a simple thermodynamic framework, based solely on binary enthalpies of mixing, to select optimal alloying elements to control the nature and extent of chemical ordering in high-entropy alloys (HEAs). Next, we couple high-resolution electron microscopy, atom probe tomography, hybrid Monte-Carlo, special quasirandom structures, and density functional theory calculations to demonstrate how controlled additions of Al and Ti and subsequent annealing drive chemical ordering in nearly random equiatomic face-centered cubic CoFeNi solid solution. We establish that short-range ordered domains, the precursors of long-range ordered precipitates, inform mechanical properties. Specifically, a progressively increasing local order boosts the tensile yield strengths of the parent CoFeNi alloy by a factor of four while also substantially improving ductility, which breaks the so-called strength–ductility paradox. Finally, we validate the generality of our approach by predicting and demonstrating that controlled additions of Al, which has large negative enthalpies of mixing with the constituent elements of another nearly random body-centered cubic refractory NbTaTi HEA, also introduces chemical ordering and enhances mechanical properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Recent advancements in atomic many-body methods for high-precision studies of isotope shifts

The development of atomic many-body methods, capable of incorporating electron correlation effects accurately, is required for isotope shift (IS) studies. In combination with precise measurements, such calculations help to extract nuclear charge radii differences, and to probe for signatures of physics beyond the Standard Model of particle physics. Here, we review here a few recently-developed methods in the relativistic many-body perturbation theory (RMBPT) and relativistic coupled-cluster (RCC) theory frameworks for calculations of IS factors in the highly charged ions (HCIs), and neutral or singly-charged ions, respectively. The results are presented for a wide range of atomic systems in order to demonstrate the interplay between quantum electrodynamics (QED) and electron correlation effects. In view of this, we start our discussions with the RMBPT calculations for a few HCIs by rigorously treating QED effects; then we outline methods to calculate IS factors in the one-valence atomic systems using two formulations of the RCC approach. Then we present calculations for two valence atomic systems, by employing the Fock-space RCC methods. For completeness, we briefly discuss theoretical input required for the upcoming experiments, their possibilities to probe nuclear properties and implications to fundamental physics studies.

QED effects↗

Nanoconfinement-induced shift in photooxidative degradation pathway of polystyrene

Polymer nanocomposites with high concentrations of nanoparticles (NPs) possess exceptional mechanical, transport, and thermal properties. To enable their widespread use in structural applications and functional coatings, it is crucial to understand how nanoconfinement and the polymer-NP interface influence polymer degradation under various environmental conditions, including prolonged UV exposure. In this study, we investigate the photooxidative degradation of polystyrene (PS)-confined in the interstices of SiO 2 NP films. These nanocomposite films are prepared by the capillary rise infiltration (CaRI) of PS into interstices of SiO 2 NP packings, and subsequently subjected to UV irradiation. Our investigation reveals that PS degradation progresses uniformly across the thickness, with degradation initiating from the center of the NP interstitial pores and extending towards the NP surface. We rationalize this degradation mechanism based on the disparity in the surface energies of PS and the NP surface, as well as slow oxygen diffusion through confined PS. Here, we also demonstrate that packing smaller NPs at a given thickness or thicker packing of a specific NP size facilitates photooxidative degradation, highlighting the critical role of the number of interstitial pores in influencing degradation processes.

36 MATERIALS SCIENCE↗

Dynamic compression of Ce and Pr with millisecond time-resolved X-ray diffraction

Abstract Both cerium (Ce) and praseodymium (Pr) undergo a volume collapse transition under compression that originate from similar electronic mechanisms. Yet the outcome could not be more different. In the case of Ce with one affected 4f electron the volume collapse leaves the crystal symmetry intact, whereas for Pr with two 4f electrons the crystal symmetry changes from a distorted face centered cubic structure to a lower symmetry orthorhombic structure. In this paper, we present a study of the effect of strain/compression rate spanning nearly 4 orders of magnitude on the volume collapse phase transitions in Ce and Pr. These dynamic compression experiments in a diamond anvil cell also reveal kinetic differences between the phase transformations observed in these two materials. The transition cannot be overdriven in pressure in Ce, which indicates a fast kinetic process, whereas fast compression rates in Pr lead to a shift of the phase boundary to higher pressures, pointing to slower kinetics possibly due to the realization of a new crystal structure.

36 MATERIALS SCIENCE↗