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At least 487 records · Page 27

Effects of strain rate on mechanical properties and deformation behavior of an austenitic Fe-25Mn-3Al-3Si TWIP-TRIP steel

The effects of quasi-static and low-dynamic strain rate (ε = 10 –4 /s to ε = 10 2 /s) on tensile properties and deformation mechanisms were studied in a Fe-25Mn-3Al-3Si (wt%) twinning and transformation-induced plasticity [TWIP-TRIP] steel. The fully austenitic microstructure deforms primarily by dislocation glide but due to the room temperature stacking fault energy [SFE] of 21 ± 3 mJ/m 2 for this alloy, secondary deformation mechanisms such as mechanical twinning (TWIP) and epsilon martensite formation (TRIP) also play an important role in the deformation behavior. The mechanical twins and epsilon-martensite platelets act as planar obstacles to subsequent dislocation motion on non-coplanar glide planes and reduce the dislocation mean free path. A high-speed thermal camera was used to measure the increase in specimen temperature as a function of strain, which enabled the use of a thermodynamic model to predict the increase in SFE. The influence of strain rate and strain on microstructural parameters such as the thickness and spacing of mechanical twins and epsilon-martensite laths was quantified using dark field transmission electron microscopy, electron channeling contrast imaging, and electron backscattered diffraction. The effect of sheet thickness on mechanical properties was also investigated. Increasing the tensile specimen thickness increased the product of ultimate tensile strength and total elongation, but had no significant effect on uniform elongation or yield strength. The yield strength exhibited a significant increase with increasing strain rate, indicating that dislocation glide becomes more difficult with increasing strain rate due to thermally-activated short-range barriers. Finally, a modest increase in ultimate tensile strength and minimal decrease in uniform elongation were noted at higher strain rates, suggesting adiabatic heating, slight changes in strain-hardening rate and observed strain localizations as root causes, rather than a significant change in the underlying TWIP-TRIP mechanisms at low values of strain.

36 MATERIALS SCIENCE↗

Strain-Modified Raman Responses in Monolayer MoS 2 Nanobubbles Resolved at 5 nm

The formation of nanoscale bubbles is an unavoidable consequence during the transfer of two-dimensional materials onto target substrates, driven by van der Waals interactions at the interface. While often viewed as imperfections, these nanoscale bubbles have garnered considerable scientific interest due to the substantial in-plane strain gradients they induce, which in turn give rise to a variety of intriguing optoelectronic effects, particularly in semiconducting transition metal dichalcogenides. Determining and analyzing the strain distribution within nanobubbles at the nanoscale is crucial for advancing our understanding of these underlying strain-induced effects. Here, we present a high-resolution scanning tunneling microscopy-based tip-enhanced Raman spectroscopic investigation of localized nanoscale strain distribution within the nanobubbles formed between monolayer MoS 2 and Au interface. By employing cryogenic temperature (78 K), we successfully differentiate the nanoscale Raman signatures between nanobubble edge and pristine MoS 2 . We verify a maximum tensile strain of ∽1.15–1.34% at the nanobubble edge, which gradually diminishes toward the center, yielding a cross-sectional strain profile consistent with a doughnut-shaped distribution. Furthermore, we report to achieve ∽5 nm spatial resolution in probing such edge-localized strain within the nanobubble. In addition, comparative average strain analysis of such MoS 2 nanobubbles is conducted via geometric mechanistic analysis such as membrane and nonlinear plate theories, providing key insight into the geometric nature near the bubble edge. Our work provide fundamental information about strain-induced nanoscale chemical understanding of 2D materials on the nanometer scale, paving the way for practical applications of nanobubbles in strain-engineered optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electronic and magnetic properties of armchair MoS{sub 2} nanoribbons under both external strain and electric field, studied by first principles calculations

The electronic and magnetic properties of armchair edge MoS{sub 2} nanoribbons (MoS{sub 2}-ANRs) underboth the external strain and transverse electric field (E{sub t}) have been systematically investigated by using the first-principles calculations. It is found that: (1) If no electric field is applied, an interesting structural phase transition would appear under a large tensile strain, leading to a new phase MoS{sub 2}-A'NR, and inducing a big jump peak of the band gap in the transition region. But, the band gap response to compressive strains is much different from that to tensile strain, showing no the structural phase transition. (2) Under the small tensile strains (<10%), the combined E{sub t} and tensile strain give rise to a positive superposition (resonant) effect on the band gap reduction at low E{sub t} (<3 V/nm), and oppositely a negative superposition (antiresonant) one at high E{sub t} (>4 V/nm). On the other hand, the external compressive strains have always presented the resonant effect on the band gap reduction, induced by the electric field. (3) After the structural phase transition, an external large tensile strain could greatly reduce the critical field E{sub tc} causing the band gap closure, and make the system become a ferromagnetic (FM) metal at a relative low E{sub t} (e.g., <4 V/nm), which is very helpful for its promising applications in nano-mechanical spintronics devices. (4) At high E{sub t} (>10 V/nm), the magnetic moments of both the MoS{sub 2}-ANR and MoS{sub 2}-A'NR in their FM states could be enhanced greatly by a tensile strain. Our numerical results of effectively tuning physical properties of MoS{sub 2}-ANRs by combined external strain and electric field may open their new potential applications in nanoelectronics and spintronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

X-ray diffraction strains in laser-ablated aluminum, nickel, sodium, and invar: Pressures to 475 GPa

Dynamically compressed materials in longitudinal waves are described by two physical models: hydrostatic pressure, with equal, normal, principal stresses or material uniaxially strained in the wave propagation direction. These models are disparate, so experimental comparisons and evaluations are important. Polycrystalline material in a state of hydrostatic pressure will have no eccentricity of x-ray-diffracted Debye–Scherrer rings. A general three-dimensional solution of Bragg diffracted x rays based on principal crystallographic strains in the compression wave was found. The distortion of x-ray diffraction beams has been used for strain measurements; the analysis developed incorporates a strained reciprocal lattice and the incident x-ray beam. Strain-distorted Polanyi surfaces form an annulus of compression with an ellipsoid of revolution in reciprocal space, which is intersected by Ewald's sphere for Bragg diffraction. The in situ measurements for strain describe nanosecond diffraction evaluated using two planes, (hkl) and (h′k′l′), both in the same crystallographic phase. Diffraction from Al, Ni, Na, and Invar quantifies the compression axial strains in these materials: The compression axial ratios are 0.65, 1.05, 0.88, and 1.58 at pressures of 291, 402, 409, and 367 GPa for the respective materials. Crystal structure transformations with homogeneous pressurized stresses, mandating equal normal strains, should not be anticipated to agree with heterogeneous, uniaxially strained, and sheared crystalline phases. Measurements support in-plane strains increasing with pressure, p , in fcc and hcp aluminum as ε 22 = −0.21 p /TPa.

Alloys↗

Ultrasensitive tunability of the direct bandgap of 2D [Twp-dimensional] InSe flakes via strain engineering

InSe, a member of the layered materials family, is a superior electronic and optical material which retains a direct bandgap feature from the bulk to atomically thin few-layers and high electronic mobility down to a single layer limit. We, for the first time, exploit strain to drastically modify the bandgap of two-dimensional (2D) InSe nanoflakes. We demonstrated that we could decrease the bandgap of a few-layer InSe flake by 160 meV through applying an in-plane uniaxial tensile strain to 1.06% and increase the bandgap by 79 meV through applying an in-plane uniaxial compressive strain to 0.62%, as evidenced by photoluminescence (PL) spectroscopy. The large reversible bandgap change of ~239 meV arises from a large bandgap change rate (bandgap strain coefficient) of few-layer InSe in response to strain, ~154 meV/% for uniaxial tensile strain and ~140 meV/% for uniaxial compressive strain, representing the most pronounced uniaxial strain-induced bandgap strain coefficient experimentally reported in 2D materials. We developed a theoretical understanding of the strain-induced bandgap change through first-principles DFT and GW calculations. We also confirmed the bandgap change by photoconductivity measurements using excitation light with different photon energies. In conclusion, the highly tunable bandgap of InSe in the infrared regime should enable a wide range of applications, including electro-mechanical, piezoelectric and optoelectronic devices.

2D materials↗

Adaptive sampling for accelerating neutron diffraction-based strain mapping *

Abstract Neutron diffraction is a useful technique for mapping residual strains in dense metal objects. The technique works by placing an object in the path of a neutron beam, measuring the diffracted signals and inferring the local lattice strain values from the measurement. In order to map the strains across the entire object, the object is stepped one position at a time in the path of the neutron beam, typically in raster order, and at each position a strain value is estimated. Typical dwell times at neutron diffraction instruments result in an overall measurement that can take several hours to map an object that is several tens of centimeters in each dimension at a resolution of a few millimeters, during which the end users do not have an estimate of the global strain features and are at risk of incomplete information in case of instruments outages. In this paper, we propose an object adaptive sampling strategy to measure the significant points first. We start with a small initial uniform set of measurement points across the object to be mapped, compute the strain in those positions and use a machine learning technique to predict the next position to measure in the object. Specifically, we use a Bayesian optimization based on a Gaussian process regression method to infer the underlying strain field from a sparse set of measurements and predict the next most informative positions to measure based on estimates of the mean and variance in the strain fields estimated from the previously measured points. We demonstrate our real-time measure-infer-predict workflow on additively manufactured steel parts—demonstrating that we can get an accurate strain estimate even with 30%–40% of the typical number of measurements—leading the path to faster strain mapping with useful real-time feedback. We emphasize that the proposed method is general and can be used for fast mapping of other material properties such as phase fractions from time-consuming point-wise neutron measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Influence of chemical strains on the electrocaloric response, polarization morphology, tetragonality, and negative-capacitance effect of ferroelectric core-shell nanorods and nanowires

Using Landau-Ginzburg-Devonshire (LGD) approach, we proposed the analytical description of the influence of chemical strains on spontaneous polarization and the electrocaloric response in ferroelectric core-shell nanorods. We postulate that the nanorod core presents a defect-free single-crystalline ferroelectric material, and elastic defects are accumulated in the ultrathin shell, where they can induce tensile or compressive chemical strains. Finite-element modeling (FEM) based on the LGD approach reveals transitions of domain-structure morphology induced by chemical strains in the Ba Ti O 3 nanorods. Namely, tensile chemical strains induce and support the single-domain state in the central part of the nanorod, while the curled domain structures appear near the unscreened or partially screened ends of the rod. The vortexlike domains propagate toward the central part of the rod and fill it entirely, when the rod is covered by a shell with compressive chemical strains above some critical value. The critical value depends on the nanorod sizes, aspect ratio, and screening conditions at its ends. Both analytical theory and FEM predict that the tensile chemical strains in the shell increase the nanorod polarization, lattice tetragonality, and electrocaloric response well above the values corresponding to the bulk material. The physical reason for the increase is strong electrostriction coupling between the mismatch-type elastic strains induced in the core by chemical strains in the shell. Comparison with earlier XRD data confirmed an increase of the tetragonality ratio in tensile Ba Ti O 3 nanorods compared to the bulk material. Obtained analytical expressions, which are suitable for the description of strain-induced changes in a wide range of multiaxial ferroelectric core-shell nanorods and nanowires, can be useful for strain engineering of advanced ferroelectric nanomaterials for energy storage, harvesting, electrocaloric applications, and negative capacitance elements. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗

Geometric transport signatures of strained multi-Weyl semimetals

The minimal coupling of strain to Dirac and Weyl semimetals, and its modeling as a pseudogauge field has been extensively studied, resulting in several proposed topological transport signatures. In this work, we study the effects of strain on higher winding number Weyl semimetals and show that strain is not a pseudogauge field for any winding number larger than one. Here we focus on the double-Weyl semimetal as an illustrative example to show that the application of strain splits the higher winding number Weyl nodes and produces an anisotropic Fermi surface. Specifically, the Fermi surface of the double-Weyl semimetal acquires nematic order. By extending chiral kinetic theory for such nematic fields, we determine the effective gauge fields acting on the system and show how strain induces anisotropy and affects the geometry of the semiclassical phase space of the double-Weyl semimetal. Further, the strain-induced deformation of the Weyl nodes results in transport signatures related to the covariant coupling of the strain tensor to the geometric tensor associated with the Weyl nodes giving rise to strain-dependent dissipative corrections to the longitudinal as well as the Hall conductance. Thus, by extension, we show that in multi-Weyl semimetals, strain produces geometric signatures rather than topological signatures. Further, we highlight that the most general way to view strain is as a symmetry-breaking field rather than a pseudogauge field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Uncovering hidden bias in neutron diffraction residual strain measurements

When calculating residual strain via neutron or X-ray diffraction, uncertainties propagated from the peak fit are often inadequate to describe the true scatter of measurements about a singular strain state, such as one that should describe a macroscopic continuum. Because diffraction is inherently a selective process, orientation-dependent scatter arises from the sub-sampling of strong microstructure and strain gradients. This paper investigates the appropriateness of propagated uncertainties with reference to their original intention, i.e. noise about a mean value. Thirty-six unique orientations of strain measurements are taken at multiple locations within an additive friction-stir deposition component with fine-scale gradients (∼200 µm) of plastic strain, texture and residual elastic strain. Multiple strain and stress calculation pathways are compared: direct substitution of three measurements into Hooke's law, direct inversion of any six unique orientations into the strain state tensor and thirty-six measurement least-squares estimation. For the last two cases, the appropriateness of the uncertainty interval is statistically evaluated on the basis of a physical constraint: common agreement under the strain transformation law. For this sample, the direct inversion of six measurements retains a conservative estimate of the uncertainty. However, propagated uncertainties in the least-squares solution greatly underestimate the true experimental scatter. A simple pathway to estimate appropriate uncertainty intervals is suggested. These results demonstrate that the interpretation of uncertainty in residual strain is strongly dependent on intrinsic sample-dependent effects, and that oversampling orientations and statistical analysis can give more accurate results with realistic uncertainties.

36 MATERIALS SCIENCE↗

Strain-Level Differences in Porphyrin Production and Regulation in Propionibacterium acnes Elucidate Disease Associations

Propionibacterium acnes is an important skin commensal, but it is also considered a pathogenic factor in several diseases including acne vulgaris, the most common skin disease. While previous studies have revealed P. acnes strain-level differences in health and disease associations, the underlying molecular mechanisms remain unknown. Recently, we demonstrated that vitamin B 12 supplementation increases P. acnes production of porphyrins, a group of proinflammatory metabolites important in acne development (D. Kang, B. Shi, M. C. Erfe, N. Craft, and H. Li, Sci. Transl. Med. 7:293ra103, 2015, doi:10.1126/scitranslmed.aab2009). In this study, we compared the porphyrin production and regulation of multiple P. acnes strains. We revealed that acne-associated type IA-2 strains inherently produced significantly higher levels of porphyrins, which were further enhanced by vitamin B 12 supplementation. On the other hand, health-associated type II strains produced low levels of porphyrins and did not respond to vitamin B 12 . Using a small-molecule substrate and inhibitor, we demonstrated that porphyrin biosynthesis was modulated at the metabolic level. We identified a repressor gene (deoR) of porphyrin biosynthesis that was carried in all health-associated type II strains, but not in acne-associated type IA-2 strains. The expression of deoR suggests additional regulation of porphyrin production at the transcriptional level in health-associated strains. Our findings provide one potential molecular mechanism for the different contributions of P. acnes strains to skin health and disease and support the role of vitamin B 12 in acne pathogenesis. Our study emphasizes the importance of understanding the role of the commensal microbial community in health and disease at the strain level and suggests potential utility of health-associated P. acnes strains in acne treatment.

5-aminolevulinic acid↗

A New Residual Strain Mapping Program Using Energy Dispersive X-Ray Diffraction at the Advanced Photon Source

Here, the ability to non-destructively map the residual strain field inside an engineering component is important for predicting its fatigue life or developing processing methods to prevent failure or enhance performance. In this paper, we describe a new residual strain mapping program at the Advanced Photon Source, Argonne National Laboratory. The new program is based on energy dispersive x-ray diffraction (EDXRD). It is capable of non-destructively penetrating a several- cm thick polycrystalline sample fabricated from engineering alloys using high-energy x-rays and measuring the residual strain field with mm or better spatial resolution and approximately ±1 x 10 -4 strain resolution. A multi-element detector array is employed to measure multiple strain components simultaneously. The residual strain mapping setup is augmented with a high-energy tomography capability, allowing precise alignment of the material volume of interest for residual strain mapping and providing a complementary view of the structure to understand the measured strain field. These measurement capabilities are demonstrated using several strain mapping examples ranging from polycrystalline structural alloys to biological materials. We also provide some guidance for the future users of the program for a successful residual strain mapping experiment. We are expanding the capabilities of the new setup with various in situ capabilities including thermo-mechanical loading.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Neutron Diffraction Analysis of Residual Strain in High-Pressure Die Cast A383 Engine Blocks

The residual strains in three high-pressure die cast A383 engine blocks were measured using neutron diffraction. Residual strains and stresses can be generated during high-pressure die casting process due to high thermal gradients and may cause fatigue failure or dimensional distortion. Neutron diffraction can measure the residual strain distributions deep inside castings with complex geometries, because neutrons can penetrate substantially more material than x-rays. In this paper, the residual strains (in the axial and hoop directions) along the whole cylinder bridge of high-pressure die cast A383 engine blocks in as-cast and heat-treated conditions were measured by neutron diffraction methods. The effect of heat treatment on the distribution and magnitude of residual strains was also investigated. The results indicate that the residual strain in the cylinder bridge is tensile in both the axial and hoop components for both the as-cast and the heat-treated engine blocks. The residual strain in the hoop direction is bigger in magnitude than the residual strain in the axial direction. Heat treatment significantly relaxes the residual strain in the axial direction but only slightly relaxes the residual strain in the hoop direction.

36 MATERIALS SCIENCE↗

A crystal plasticity finite element model embedding strain-rate sensitivities inherent to deformation mechanisms: Application to alloy AZ31

We report the fundamental power-law relationship representing the flow rule in crystal visco-plasticity ensures uniqueness in the selection of slip systems accommodating imposed plastic strain-rates. The power-law relationship also introduces an artificially high strain-rate sensitivity in crystal plasticity simulations, unless a high value of the power-law exponent is used. However, the use of high values for the exponent is limited by numerical tractability. This paper presents a numerical method implemented in a crystal plasticity finite element (CPFE) model for embedding any value of the power-law exponent reflecting the true material strain-rate sensitivity. Importantly, the method does not increase computation time involved in the simulations. The enhanced CPFE model is used to interpret and predict a complex strain-rate sensitive response and microstructural evolution of AZ31 Mg alloy. Measured values of strain-rate sensitivity for slip and twinning modes are used in the simulations. Calculations show that the model successfully captures the phenomena pertaining to the effect of changing applied strain-rate on the mechanical response including flow stress and evolution of texture and twinning for a broad range of strain-rates ranging from 10 -3 s -1 to 10 3 s -1 and loading orientations in tension and compression. It is shown that such predictions are a consequence of not only relative amounts of slip and twinning activities driven by a set of accurately characterized hardening law parameters but also values of the strain-rate sensitivities inherent to individual deformation mechanisms. Besides, the model validates the measured strain-rate dependency of deformation mechanisms while accurately reproducing the mechanical data. Hence, the model can be used to verify and further refine or infer measured strain-rate sensitivity per deformation mechanism by reproducing experimental data.

36 MATERIALS SCIENCE↗

Enabling high resolution strain mapping in zirconium alloys

Highlights: • Optimisation of speckle patterns suitable for high resolution digital image correlation in a zirconium alloy • Evidence of distinct strain patterning at the macro and micro scale • Analysis of strain heterogeneity in a neighbouring low and high strain band • Paved the way for future studies on strain localization in zirconium alloys subjected to hydriding and irradiation damage - Abstract: High Resolution Digital Image Correlation (HRDIC) has been established recently as a novel displacement mapping technique during mechanical loading experiments to quantify strain localisation down to the level of individual slip traces. This is achieved by the creation of a nano-scale gold pattern naturally formed during remodelling of a thin gold layer that was sputtered onto the region of interest. To date, the gold remodelling is carried out in a water vapourisation environment, which excludes the technique to be applied to materials that readily form noticeable oxide layers in such environments. The current paper describes a recently developed gold remodelling technique using a styrene-argon environment at substantially lower temperatures than the water-vapour based technique. The material used in the present work is a zirconium alloy where we first demonstrate the problem of oxide formation during remodelling in water vapour and the benefit of the modified remodelling procedure. The error associated with the spatial drift was assessed for different interrogation window sizes followed by detailed analysis of the subsequent strain maps produced using the styrene remodelled patterns after tensile deformation to nominal applied strains of ~3.5% and ~7.0%. The level of detail captured demonstrate the suitability of styrene-argon-based remodelling for materials like Zr alloys with the strain maps showing clear strain patterning on both a transgranular and single grain scale with the possibility of quantifying strain across a single slip trace.

36 MATERIALS SCIENCE↗

High strain-rate compression behavior of polymeric rod and plate Kelvin lattice structures

The compressive high strain-rate behavior of polymeric Kelvin lattice structures with rod-based or plate-based unit cells was investigated through experimental techniques and finite element simulations. Polymeric lattice structures with 5x5x5 unit cell geometries were manufactured on the millimeter scale using vat polymerization additive manufacturing and tested at low (0.001/s) and high (1000/s) strain-rates. High strain-rate experiments were performed and validated for a viscoelastic split-Hopkinson (Kolsky) pressure bar system (SHPB) coupled with high-speed imaging and digital image correlation (DIC). Experimental results at both low and high strain-rates show the formation of a localized deformation band which was more prevalent in low relative density specimens and low strain-rate experiments. Strain-rate effects of lattice specimens strongly correlate with effects of the base polymer material; both bulk polymer and lattice specimen demonstrated strain-rate hardening, strain-rate stiffening, and decreased fracture strain under dynamic loading. Results show mechanical failure properties and energy absorption depended strongly on the relative density of the lattice specimen and exhibited distinct scaling between relative density and geometry type (rod, plate) and loading rate. High relative density plate-lattices demonstrated inferior mechanical properties to rod-lattices; however, there exists a critical relative density for a given mechanical property (17%- 28%) below which plate-lattices outperform rod-lattices of similar mass. As a result, high strain-rate explicit finite element simulations were performed and showed good agreement with the mechanical failure trends and deformation modes observed in the experiments.

36 MATERIALS SCIENCE↗

Biomechanical strain-induced modulation of proliferation coincides with an ERK1/2-independent nuclear YAP localization

Highlights: • Strain-induced modulation of nuclear YAP amount coincides with proliferation. • YAP-inhibiting drug Verteporfin yields distinct reduction of KI-67-positive cells. • This demonstrates regulatory involvement of nuclear YAP in proliferation. • Strain-induced YAP modulation is mechanistically independent from ERK1/2 activity. • ERK1/2 activity influences total YAP amount, exclusively in strained cells. Biomechanical strain induces activation of the transcriptional co-activator yes-associated protein (YAP) by nuclear re-distribution. Recent findings indicate that the mechanically responsive mitogen-activated protein kinase (MAPK) extracellular signal-regulated kinase (ERK) 1/2 is involved in the amount of nuclear YAP, reflecting its activation. In this context, we conducted experiments to detect how biomechanical strain acts on the subcellular localization of YAP in periodontal cells. To this end, cells were subjected to 2.5% static equiaxial strain for different time periods. Western blot and fluorescence imaging-based analyses revealed a clear modulation of nuclear YAP localization. This modulation fairly coincided with the altered course of the KI-67 protein amount in conjunction with the percentage of KI-67-positive and thus proliferating cells. The inhibition of the ERK1/2 activity via U0126 yielded an unchanged strain-related modulation of nuclear YAP localization, while YAP amount in whole cell extracts of strained cells was decreased. Administration of the YAP-inhibiting drug Verteporfin evoked a clear reduction of KI-67-positive and thus proliferating cells by approximately 65%, irrespective of strain. Our data reveal YAP as a regulator of strain-modulated proliferation which occurs in a MAPK-independent fashion.

60 APPLIED LIFE SCIENCES↗

Strain-Induced Shifts in Defective Graphite Phonon Modes Predicted by Density Functional Theory

Carbon fiber composites have gained attention as a structural material because of their high strength-to-weight ratio, and understanding the effect of defects on reactivity and mechanical properties is important for the longevity and safety of the composite. Although it is known that strain causes the underlying graphitic vibrational modes to redshift, it is not clear how strain may alter reactivity and defect-induced vibrational changes. To investigate the strain-induced phonon changes of defective carbon fiber composites, density functional theory calculations of graphite are used, including intercalated hydrogen and fluorine defects. By comparing changes in the bond lengths, formation energies, and phonon density of states for uniaxially and biaxially strained graphite, strain was found to generally make defect formation more favorable and the specific behavior changes are dependent on the strain direction and defect identity. Specifically, intercalated fluorine phonons are more sensitive to strain than hydrogen intercalation phonons, and strain applied along the zigzag direction alters the calculated properties more than strain along the armchair direction. Finally, these results highlight the importance of understanding the microstructural effect of deviations from the ideal material because small changes in strain or defect type can significantly alter the behavior of the carbon fiber composite core.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phonon Polariton-assisted Infrared Nanoimaging of Local Strain in Hexagonal Boron Nitride

Strain plays an important role in condensed matter physics and materials science because it can strongly modify the mechanical, electrical, and optical properties of a material and even induce a structural phase transition. Strain effects are especially interesting in atomically thin two-dimensional (2D) materials, where unusually large strain can be achieved without breaking them. Measuring the strain distribution in 2D materials at the nanometer scale is therefore greatly important but is extremely challenging experimentally. Here, we use near-field infrared nanoscopy to demonstrate phonon polariton-assisted mapping and quantitative analysis of strain in atomically thin polar crystals of hexagonal boron nitride (hBN) at the nanoscale. A local strain as low as 0.01% can be detected using this method with ~20 nm spatial resolution. Such ultrasensitive nanoscale strain imaging and analysis technique opens up opportunities for exploring unique local strain structures and strain-related physics in 2D materials. In addition, experimental evidence for local strain-induced phonon polariton reflection is also provided, which offers a new approach to manipulate light at deep subwavelength scales for nanophotonic devices.

36 MATERIALS SCIENCE↗