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At least 973 records · Page 54

Engineering Precisely Controlled Negative and Zero Thermal Expansion Behaviors in Metal-Organic Frameworks

Positive thermal expansion can cause significant stress or even catastrophic device failure in applications where materials are placed in confined environments. At material interfaces such as coatings, thermal expansion effects can also lead to cracking and peeling behavior. The ability to impart controlled thermal expansion properties in an array of designs via additive manufacturing technologies would mitigate such problems and bring significant value to various materials science and engineering challenges. Negative thermal expansion materials are of interest for composite material applications whereby they can compensate for the behavior of a positive thermal expansion matrix. This Truman Fellowship LDRD research project presents complimentary experimental and molecular modeling results towards the fundamental understanding and development of metal-organic framework (MOF) materials with controlled thermal expansion properties. Design strategies for imparting precisely tailored negative, zero, and positive thermal expansion regimes in MOFs are studied and the implications of these design strategies for the use of MOFs as an emergent negative thermal expansion material class are examined. Challenges towards exploiting this nanoscale behavior at length scales relevant to composite material systems are introduced. ACKNOWLEDGEMENTS I will be forever grateful to the Truman Fellowship Selection Committee for providing me with the opportunity to pursue this research project. The unique opportunity to carry out this exciting scientific research with all of the resources and support that Sandia has to offer has been a truly rewarding experience. I would like to especially thank Yolanda Moreno for her endless assistance throughout my time as a Truman Fellow. It is hard to imagine a more supportive and stimulating scientific environment to carry out this research. I would also like to thank all of my colleagues and the individuals that have collaborated with me throughout this Fellowship, both internal and external to Sandia. Many of you appear as co-authors on the publications resulting from this LDRD, including especially fruitful collaborations with researchers at the Georgia Institute of Technology and the University of Amsterdam. I cannot express enough my gratitude for the significant role that you all played in shaping my educational experience and the success during my time at Sandia as a Truman Fellow.

36 MATERIALS SCIENCE↗

A Constitutive Structural Parameter for the Work Hardening Behavior of Additively Manufactured Ti-6Al-4V

The mechanical behavior of Ti-6Al-4V produced by additive manufacturing processes is assessed based on a formulation developed from the Kocks-Mecking relationship. A constitutive parameter derived for the microstructure is characteristic of the work hardening behavior determined by the plastic strain between the proportional limit and the strength at the instability point. The varied plasticity behavior associated with surface and build direction effects can be evaluated with this approach as presented for the case of Ti-6Al-4V under uniaxial tension.

36 MATERIALS SCIENCE↗

Dynamic, Adaptive, Systems and Materials: Complex, Simple and Emergent Behaviors

This program has been funded by DoE/BES for twenty years. It has moved into and out of various subjects as it has developed, but it has retained its focus on complexity and complex systems. The project has evolved in the following way: Self-Assembly and Biomimetic Self-Assembly: All self-assembling systems depend upon a minimum of two types of interaction: a repulsion and an attraction. For the familiar molecular systems, attractive interactions are typically hydrogen bonds and electrostatic interactions. Repulsive interactions include steric effects, hydrophobic effects (in biological systems), and charge-charge repulsion. We have expanded this repertoire to include surface interactions, magnetic interactions, and others. I list these systems in the order in which we have explored them: i) A key emphasis in current work is in understanding how the movement of ions in a magnetic field (the Lorentz effect) interacts with catalytic systems. We have demonstrated that an acceleration in rate of reduction of CO 2 to CO can be accomplished by applying an external magnetic field. This acceleration is largely due to the application of the Lorentz effect on mass transport at the catalyst’s surface. ii) We have also extensively explored the influence of electrostatics, as exhibited in self-assembling systems, by tribocharging. iii) Another key system involves surface tension effects; examples include interactions between heavy particles floating at a liquid-air interface, and interacting by changes in surface area; interactions of bubbles and bubble rafts, behaviors of bubble trains in microfluidic networks, and behaviors of microorganisms in constraining environments. iv) This work has intentionally de-emphasized biological systems; but it does include some work on protein-ligand interactions and interactions among microorganisms. v) We have also explored applications of some of these effects, these explorations include bubble rafts as diffraction gratings, exploration of the structures that can be obtained by tribocharging and uses of these structures in exploring nucleation and melting of crystals. vi) Although not a major focus of this work, several other topics have emerged and offer opportunities for future work. These include the behavior of bubble trains and bubble rafts in microfluidic systems. A particularly interesting example is the formation of bubble trains that repeat in the alteration of large and small bubbles according to rules we do not presently understand, but are uniquely large-period oscillating systems. These systems offer a new route into understanding the instabilities of the type represented by oscillations. vii) We have also begun exploratory projects on magnetic levitation (especially to determine molecular density), and information storage (in molecules). Magnetic Levitation: Self-assembling and biomimetic systems require both attraction and repulsion. We have used electrostatics (tribocharging), interfacial free-energies (surface tension and related forces) and others. Potential uses include reconfigurable diffraction gratings and liquid lenses; exploration of mechanisms in tribocharging; tunneling in EGaIn junctions; and bubble trains (especially in micro-fluidic systems). Examples of systems representing these topics is included in the following papers: Complexity: Disks rotating at a water-air interface; Benard-Marangoni effects; Vortex-Crystals from spinning magnetic disks (Marangoni effects); EGaIn Electrode to study quantum tunneling; Self-Assembly of electrostatically-charged metallic spheres (electrets); Dynamically reconfigurable lens; Using computational designs of ligands for enzymes; Electrostatic self-assembly by tribocharging; Monodisperse bubble trains in microchannel systems; Inverted dripping faucet; Flames; Printing of micro-organisms to regenerate the “ink” of printing device; Using micro-organisms to move loads (“microoxen”); Motion of bacterial swarms near surfaces; Making monodisperse particles in microfluidic systems; Coding/decoding of information stored in droplet trains in microfluidic networks; Magnetic levitation; and Information storage. i) Tribocharging. The change in focus of this work on electrets from the fundamentals of charging to applications of these materials in studying self-assembly using electrostatic interactions. ii) Bubbles in Microchannels. The realization that systems of bubbles in microchannels represented a major opportunity to study complexity in a very tractable system, and the development of a semi-quantitative theory of this subject. iii) Flames. The growth of “flames” remains an exploratory subject for the research, although their currently relatively little active work involving it ongoing. iv) Systems with Microorganisms. The removal of work in biological systems from this project. Based on work supported in this program, we now have a significant project on the development of microfluidic tools for studying C. elegans (a nematode), but this work was not appropriate for a program focused on complexity, and we developed separate support for it. (It is, however, an example of successful seeding of a new area by BES.) The work on electrets has gone through a period in which a part of the program was the subject of a MURI; the focus of this work was to develop materials that did not charge electrostatically on friction or contact. The MURI is now over, and the work on dynamic self-assembly (supported by BES) is the major focus. “Flames” has also enjoyed synergistic support, in terms of a project supported by DARPA on flame suppression (in the absence of extinguishing agents, using acoustic and electrostatic interactions). This work was helpful in understanding some of the basics of flames, but is entirely distinct from the BES focus in complexity. A growing interest is in the Lorentz effect. The Lorentz effect is the force exerted on charged particles (electrons, ions, charged molecules) when they move through a perpendicular magnetic field. The Lorentz effect is almost ubiquitous in modern technology: examples of applications include electric motors, dynamos, cathode ray tubes, many batteries, and most systems that control electrical currents with magnetic forces. We have begun to explore the Lorentz effect in electrochemical systems and heterogeneous catalytic systems involving charged organic species and inorganic ions. This work is still at an early stage, but initial studies that Lorentz effects can be large when ions move through magnetic fields, or magnetic fields move in the presence of ions.

36 MATERIALS SCIENCE↗

Review and Assessment of Available Data Regarding the Behavior of Sodium Aerosols

Recently, there has been a resurgence of interest in advanced (non-light water) reactor designs, including sodium fast reactors (SFRs). In parallel, multiple efforts are underway to develop risk informed, performance-based licensing pathways for advanced reactors. However, such licensing approaches depend on the accuracy of the associated safety assessments, including mechanistic source term (MST) analyses. Unlike historical source term assessments, which utilizes bounding estimates of radionuclide release, MSTs attempt to realistically estimate the transport and retention of radionuclides for specific transient scenarios. For SFR MST analyses, the behavior of radionuclide aerosols is a key factor, as noted in recent studies. Due to the use of sodium as the primary coolant, many potential transient scenarios involve the release of radionuclide aerosols in conjunction with sodium aerosols. For such scenarios, sodium may be the dominant aerosol species, compared to that of released radionuclides. Therefore, understanding the behavior of sodium aerosols is particularly important to an accurate assessment of aerosol transport. Although many approaches to aerosol modeling exist, it is vital to establish their capabilities in evaluating sodium aerosol behavior for SFR analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Theoretical Analysis on the Dynamic Behavior and Electromechanical Response of PZT

Piezoelectric materials are used as a power source in stockpile components for safety and reliability assurances. The objective of this project is to gain insights into the fundamental pressure-induced behavior and electromechanical response of lead zirconate titanate (PZT). Specifically, to establish the basis for an accurate, physics-based material model for robust model-based design to rapidly optimize PZT-based materials and components for performance studies. Established ab-initio methods are used to interrogate and understand the dynamic behavior of PZT as a function of composition (50/50, 65/35, 80/20, 95/5) and dopants (La, Nb) to overcome the costly and time-consuming experimental methodologies. New cold curves for pure and doped single-crystal PZT are obtained as the reference equation-of-state (EOS). A negligible change in the pressure responses was observed for the systems and strains studied. Dielectric and piezoelectric responses of pure and doped single-crystal PZT were also calculated as a function of pressure. For undoped PZT, there is a clear and orderly pressure and composition dependence. For doped PZT, there is a significant increase in the responses, but the behavior is very disordered and inconclusive.

36 MATERIALS SCIENCE↗

Verifying LLM generative agents reflect human behavior in contested information environments to effectively simulate disinformation campaigns (Proteus)

Disinformation poses a significant and evolving threat to today’s online environment. Individuals encounter challenges in detecting disinformation, subsequently influencing their behavior and decision-making processes. Our research examines the potential use of large language model (LLM) generative agents (LGAs) to replicate human behavior to better understand how disinformation is spread in online environments. Using human subjects research, we first investigate how personality traits, individual differences, and demographic factors relate to decision-making in simulated online disinformation environments. Then, we examine whether LGAs can effectively replicate human responses in the same simulated online environments when assigned personality traits, demographic characteristics and behavioral attributes. Our findings indicate that LGAs can align with human decisions in these scenarios; however, alignment is contingent upon scenario context, persona settings and LLM selection. Results provide valuable insights for methodology refinement in future research and in utilizing LGAs to model complex national security challenges such as disinformation campaigns.

97 MATHEMATICS AND COMPUTING↗

Tribological behavior of nuclear graphite in high-temperature inert environment

This report formally documents the completion of the Advanced Reactor Technologies Level 2 Milestone (M2AT-26OR0605058), “Complete initial wear/abrasion studies,” due June 1, 2026. The work presented in this report expend upon our previously published manuscript titled Sliding friction and wear behavior of nuclear graphite in high temperature inert environment: Influence of contact load, speed and temperature. The sliding friction and wear of self-mated ET-10 nuclear graphite were characterized across a range of elevated temperatures (650°C and 750°C), contact loads (20 N and 40 N), and sliding speeds (1 mm/s and 10 mm/s) within a controlled argon environment. Tribological data combined with advanced morphological characterization were used to provide a detailed mechanistic framework for the frictional and wear behavior of nuclear graphite in high-temperature inert conditions. Furthermore, the report evaluates the inherent limitations of bench-scale characterization and addresses the critical disparities between laboratory findings and the complex, in-service friction and wear behavior of fuel pebbles within a reactor environment.

36 MATERIALS SCIENCE↗

Design and implementation of a real-time underwater acoustic telemetry system for fish behavior study and environmental sensing

Underwater acoustic telemetry is an important tool for studying the behavior of aquatic animals and assessing the environmental impact of man-made structures such as water power turbines. However, current design of the acoustic telemetry system lacks the ability to transmit collected data continuously in real-time and requires manual retrieval of the recorded measurements, leading to a long delay of data retrieval, high operational cost associated with manpower as well as safety risk for the operators. In addition, there is no efficient way to monitor the status of the acoustic telemetry system, including acoustic transmitters and receivers. For example, if multiple receivers in an array fail, the detection efficiency could be significantly reduced. Herein, we developed a cloud-based, real-time underwater acoustic telemetry system that can be used to estimate behavior or survival of tagged aquatic animals and monitor environmental parameters in near-real-time (< 2 hours). The system incorporates microcontrollers and integrated circuits to create real-time data communication and processing units with a cloud-based service that processes the transmitted data stream to derive behavior and survival information of the tagged animals.

Yang, Yang↗

Limit Cycle Oscillating Detonation Wave Behavior Analysis Within a Rotating Detonation Engine

Limit cycle oscillation (LCO) detonation wave behaviors are presented and analyzed for test times exceeding 20 s in a water-cooled rotating detonation engine (RDE). LCO detonation waves exhibit cyclic acceleration and deceleration, resulting in oscillating wave spacing at unique process conditions. In previous RDE studies, similar behaviors have been studied as microsecond-scale instabilities leading to ascending or descending modal transitions. In the current work, however, LCO waves are considered a persistent wave mode, occupying unique portions of the operational envelope adjacent to those of their equally spaced counterparts. These occurrences of LCO waves are repeatable, enduring behaviors. A method to generate shifted contour surfaces specifically intended to extract and analyze wave spacing variation through time, termed limit cycle oscillation visualization (LCOV) surfaces, is presented. LCOV surfaces transform data into the reference frame of a primary traveling wave and are used to analyze quasi-steady, short-timescale, and transitional LCO modes. Results are leveraged to understand the relationship between fill height, wave strength, local wave acceleration, and subsequent LCO wave spacing for individual wave sets. In conclusion, quasi-steady LCO waves display wave spacing oscillations between equal spacing values associated with ±1 wave across runs exceeding 18 s.

33 ADVANCED PROPULSION SYSTEMS↗

Dataset for: Rooftop solar and energy storage programs can remediate energy-limiting behaviors of energy insecure households

Energy insecurity affects most low-income households in the United States. Energy insecurity, which is characterized by a household’s inability to afford their energy needs, often leads to risky choices, causing other forms of insecurity including food and health. Although there are government programs designed to provide relief to low-income households that face energy insecurity, eligibility for these programs is usually determined by household income, and those with incomes close to the threshold face uncertainty or may be left out. In many cases, these households turn to energy-limiting behaviors as a strategy to lower their electric utility bills. This paper explores the relationship between energy insecurity and energy-limiting behaviors to investigate alternative solutions that target the households that may fall out of available energy assistance programs. We explore the role of battery energy storage systems and rooftop solar photovoltaics in improving energy affordability. The results show that residential rooftop solar and behind-the-meter energy storage can offset two-thirds of the bill savings that households attain through energy-limiting behavior. Household renewable energy systems could complement existing energy assistance programs to provide long-term bill relief, enabling occupants to live in their homes with comfort and dignity. This dataset is intended to allow readers to reproduce and customize the analysis performed in this work to their benefit.

Kerby, Jessica [Pacific Northwest National Laborat↗

Creep behavior of austenitic steels in CO2 and the effect of specimen thickness

Steels have a proven track record of safe operation in steam power plants for decades. Interest in developing supercritical CO2 power cycles as a more efficient and sustainable alternative to steam cycles has driven a need to understand steel performance in these new environments. In particular, the potential of the high temperature CO2 environment to influence the creep behavior of the steel must be determined. Prior research on this topic between the 1960s and 1980s found conflicting conclusions, but nevertheless raised the possibility that carburization during CO2 exposure may strongly affect the creep behavior. This raises concerns particularly for thin-sectioned components such as compact heat exchangers, where even small rates of carburization can become problematic over long operating lifetimes. To shed light on this issue, this research investigates the creep behavior of austenitic stainless steel 347H and 309H (a higher Cr alternative) at 650°C. Specimens of 0.5, 1.0, and 2.0 mm thickness were tested to further assess the effect of steel thickness. Both steels show a reduction in creep life in CO2 relative to air, with 309H showing slightly better performance than 374H. Analysis is ongoing to determine the reason for degraded creep properties.

Rozman, Kyle A.↗

The Impact of Carbonation Curing on the Fatigue Behavior of Polyvinyl Alcohol Engineered Cementitious Composites (PVA-ECC)

Use of Engineered Cementitious Composites (ECC) has been proven to enhance structural fatigue resistance and reduce the use-phase emissions for transportation infrastructure. Carbonation curing offers an opportunity to reduce the embodied carbon of ECC via direct CO 2 sequestration. In this study, the impact of carbonation curing on ECC’s fatigue resistance was examined. ECC’s CO 2 uptake, static flexural behavior, flexural fatigue performance, and single fiber pull-out behavior were studied experimentally. Midspan deflection up to 3 million cycles under fatigue load, fatigue stress-life relationship, and failure mechanism for carbonation-cured and air-cured ECC were investigated. Carbonation curing was found to significantly improved the fatigue life of ECC and lowered the midspan deflection under the same stress. Further, CO 2 -cured ECC can achieve >20% CO 2 uptake per cement mass after 24-hour carbonation curing. Carbonation curing increased ECC’s flexural strength by 32% and promoted crack width control capability, with maximum post-fatigue crack width reduced from 148 μm to 76 μm. As a result, the positive impact of carbonation curing on the fatigue behavior of ECC simultaneously lowers the embodied and operational carbon of ECC structural members subjected to fatigue loading during service.

36 MATERIALS SCIENCE↗

Effects of Six Sequential Charged Particle Beams on Behavioral and Cognitive Performance in B6D2F1 Female and Male Mice

The radiation environment astronauts are exposed to in deep space includes galactic cosmic radiation (GCR) with different proportions of all naturally occurring ions. To assist NASA with assessment of risk to the brain following exposure to a mixture of ions broadly representative of the GCR, we assessed the behavioral and cognitive performance of female and male C57BL/6J × DBA2/J F1 (B6D2F1) mice two months following rapidly delivered, sequential 6 beam irradiation with protons (1 GeV, LET = 0.24 keV, 50%), 4 He ions (250 MeV/n, LET = 1.6 keV/μm, 20%), 16 O ions (250 MeV/n, LET = 25 keV/μm 7.5%), 28 Si ions (263 MeV/n, LET = 78 keV/μm, 7.5%), 48Ti ions (1 GeV/n, LET = 107 keV/μm, 7.5%), and 56 Fe ions (1 GeV/n, LET = 151 keV/μm, 7.5%) at 0, 25, 50, or 200 cGy) at 4–6 months of age. When the activity over 3 days of open field habituation was analyzed in female mice, those irradiated with 50 cGy moved less and spent less time in the center than sham-irradiated mice. Sham-irradiated female mice and those irradiated with 25 cGy showed object recognition. However, female mice exposed to 50 or 200 cGy did not show object recognition. When fear memory was assessed in passive avoidance tests, sham-irradiated mice and mice irradiated with 25 cGy showed memory retention while mice exposed to 50 or 200 cGy did not. The effects of radiation passive avoidance memory retention were not sex-dependent. There was no effect of radiation on depressive-like behavior in the forced swim test. There was a trend toward an effect of radiation on BDNF levels in the cortex of males, but not for females, with higher levels in male mice irradiated with 50 cGy than sham-irradiated. Finally, sequential 6-ion irradiation impacted the composition of the gut microbiome in a sex-dependent fashion. Taxa were uncovered whose relative abundance in the gut was associated with the radiation dose received. Thus, exposure to sequential six-beam irradiation significantly affects behavioral and cognitive performance and the gut microbiome.

60 APPLIED LIFE SCIENCES↗

Numerical and Experimental Investigations on the Ignition Behavior of OME

On the path towards climate-neutral future mobility, the usage of synthetic fuels derived from renewable power sources, so-called e-fuels, will be necessary. Oxygenated e-fuels, which contain oxygen in their chemical structure, not only have the potential to realize a climate-neutral powertrain, but also to burn more cleanly in terms of soot formation. Polyoxymethylene dimethyl ethers (PODE or OMEs) are a frequently discussed representative of such combustibles. However, to operate compression ignition engines with these fuels achieving maximum efficiency and minimum emissions, the physical-chemical behavior of OMEs needs to be understood and quantified. Especially the detailed characterization of physical and chemical properties of the spray is of utmost importance for the optimization of the injection and the mixture formation process. The presented work aimed to develop a comprehensive CFD model to specify the differences between OMEs and dodecane, which served as a reference diesel-like fuel, with regards to spray atomization, mixing and auto-ignition for single- and multi-injection patterns. The simulation results were validated against experimental data from a high-temperature and high-pressure combustion vessel. The sprays’ liquid and vapor phase penetration were measured with Mie-scattering and schlieren-imaging as well as diffuse back illumination and Rayleigh-scattering for both fuels. To characterize the ignition process and the flame propagation, measurements of the OH* chemiluminescence of the flame were carried out. Significant differences in the ignition behavior between OMEs and dodecane could be identified in both experiments and CFD simulations. Liquid penetration as well as flame lift-off length are shown to be consistently longer for OMEs. Zones of high reaction activity differ substantially for the two fuels: Along the spray center axis for OMEs and at the shear boundary layers of fuel and ambient air for dodecane. Additionally, the transient behavior of high temperature reactions for OME is predicted to be much faster.

33 ADVANCED PROPULSION SYSTEMS↗

On the Sintering Behavior of Nb2O5 and Ta2O5 Mixed Oxide Powders

A mixed oxide system consisting of Nb2O5 and Ta2O5, was subjected to annealing in air/hydrogen up to 950 °C for 1–4 h to study its sintering behavior. The thermogravimetric–differential scanning calorimetry (TGA–DSC) thermograms indicated the formation of multiple endothermic peaks at temperatures higher than 925 °C. Subsequently, a 30% Ta2O5 and 70% Nb2O5 (mol%) pellet resulted in good sintering behavior at both 900 and 950 °C. The scanning electron microscope (SEM) images corroborated these observations with necking and particle coarsening. The sintered pellets contained a 20.4 and 20.8% mixed oxide (Nb4Ta2O15) phase, along with Ta2O5 and Nb2O5, at both 900 and 950 °C, indicating the possibility of the formation of a solid solution phase. In situ high-temperature X-ray diffraction (XRD) scans also confirmed the formation of the ternary oxide phase at 6 and 19.8% at 890 and 950 °C, respectively. The Hume–Rothery rules could explain the good sintering behavior of the Ta2O5 and Nb2O5 mixed oxides. An oxide composition of 30% Ta2O5 and 70% Nb2O5 (mol%) and a sintering temperature of 950 °C appeared adequate for fabricating well-sintered oxide precursors for subsequent electrochemical polarization studies in fused salts.

36 MATERIALS SCIENCE↗

A Model to Account for the Effects of Load Ratio and Hydrogen Pressure on the Fatigue Crack Growth Behavior of Pressure Vessel Steels

A phenomenological model for estimating the effects of load ratio R and hydrogen pressure P H2 on the hydrogen-assisted fatigue crack growth rate (HA–FCGR) behavior in the transient and steady-state regimes of pressure vessel steels is described. The “transient regime” is identified with crack growth within a severely embrittled zone of intense plasticity at the crack tip. The “steady-state” behavior is associated with the crack growing into a region of comparatively lower hydrogen concentration located further away from the crack tip. The model treats the effects of R and P H2 as being functionally separable. In the transient regime, the effects of the hydrogen pressure on the HA–FCGR behavior were negligible but were significant in the steady-state regime. The hydrogen concentration in the steady-state region is modeled as being dependent on the kinetics of lattice diffusion, which is sensitive to pressure. Experimental HA–FCGR data from the literature were used to validate the model. The new model was shown to be valid over a wide range of conditions that ranged between –1 ≤ R ≤ 0.8 and 0.02 ≤ P H2 ≤ 103 MPa for pressure vessel steels.

36 MATERIALS SCIENCE↗

Effect of Pore Connectivity on the Behavior of Fluids Confined in Sub-Nanometer Pores: Ethane and CO2 Confined in ZSM-22

The behavior of fluids under nano-confinement varies from that in bulk due to an interplay of several factors including pore connectivity. In this work, we use molecular dynamics simulations to study the behavior of two fluids—ethane and CO2 confined in ZSM-22, a zeolite with channel-like pores of diameter 0.55 nm isolated from each other. By comparing the behavior of the two fluids in ZSM-22 with that reported earlier in ZSM-5, a zeolite with pores of similar shape and size connected to each other via sinusoidal pores running perpendicular to them, we reveal the important role of pore connectivity. Further, by artificially imposing pore connectivity in ZSM-22 via inserting a 2-dimensional slab-like inter-crystalline space of thickness 0.5 nm, we also studied the effect of the dimensionality and geometry of pore connectivity. While the translational motion of both ethane and CO2 in ZSM-22 is suppressed as a result of connecting the pores by perpendicular quasi-one-dimensional pores of similar dimensions, the effect of connecting the pores by inserting the inter-crystalline space is different on the translational motion of the two fluids. For ethane, pores connected via inter-crystalline space facilitate translational motion but suppress rotational motion, whereas in the case of CO2, both types of motion are suppressed by pore connection due to the strong interaction of CO2 with the surface of the substrate.

Kummali, Mohammed Musthafa (ORCID:000000028082555X↗

In Situ Synchrotron X-ray Diffraction Investigations of the Nonlinear Deformation Behavior of a Low Modulus β -Type Ti36Nb5Zr Alloy

The low modulus β-type Ti alloys usually have peculiar deformation behaviors due to their low phase stability. However, the study of the underlying mechanisms is challenging since some physical mechanisms are fully reversible after the release of the load. In this paper, the deformation behavior of a low modulus β-type Ti36Nb5Zr alloy was investigated with the aid of in situ synchrotron X-ray diffraction (SXRD) during tensile loading. The evolution of lattice strains and relative integrated diffraction peak intensities of both the β and α” phases were analyzed to determine the characteristics of the potential deformation mechanisms. Upon loading, the α” diffraction spots appeared at specific azimuth angles of the two-dimensional SXRD patterns due to the <110> fiber texture of original β grains and the selection of favorable martensitic variants. The nonlinear deformation behavior originated from a reversible stress-induced martensitic transformation (SIMT). However, the SIMT contributed a little to the large recoverable strain of over 2.0%, which was dominated by the elastic deformation of the β phase. Various deformation mechanisms were activated successively at different applied strains, including elastic deformation, SIMT and plastic deformation. Our investigations provide in-depth understandings of the deformation mechanisms in β-type Ti alloys with low elastic modulus.

36 MATERIALS SCIENCE↗