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Picometer sensitivity metrology for EUV absorber phase

With growing interest in EUV attenuated phase-shift masks due to their superior image quality for applications such as dense contact and pillar arrays, it is becoming critical to model, measure, and monitor the intensity and relative phase of multilayer and absorber reflections. We present a solution based on physical modeling of reflectometry data, which can achieve single picometer phase precision and sensitivity to changes in average film thickness below one atomic monolayer. We measure absorber and multilayer reflectivity to determine thin-film parameters with a multidimensional optimization and then acquire a new measurement of either multilayer or absorber to determine perturbations in surface contamination thickness. While it is difficult to assess the accuracy of the first step, the simplicity of the second step allows us to characterize our sensitivity to changes in contamination thickness. Thus, we apply this analysis using an initial set of measurements and repeated measurements after a period of storage. For the multilayer, the total contamination growth was 1068 pm, which occurred almost exclusively during storage (1085 pm) and decreased very slightly during repeated measurements (-17 pm). For the absorber, the behavior was quite different, with a total growth of 126 pm, which occurred much less during storage (28 pm) and primarily during repeated measurements (98 pm). Ultimately, the change in relative phase (absorber minus multilayer) was -0.86 deg for the multilayer and -1.12 deg for the absorber. We estimate the precision of the surface contamination measurement to be 3σ < 6 pm for measuring thickness and 3σ < 0.2 deg for measuring phase.

36 MATERIALS SCIENCE↗

Comparative analysis of nonlinear dimensionality reduction techniques for breast MRI segmentation

Purpose: Visualization of anatomical structures using radiological imaging methods is an important tool in medicine to differentiate normal from pathological tissue and can generate large amounts of data for a radiologist to read. Integrating these large data sets is difficult and time-consuming. A new approach uses both supervised and unsupervised advanced machine learning techniques to visualize and segment radiological data. This study describes the application of a novel hybrid scheme, based on combining wavelet transform and nonlinear dimensionality reduction (NLDR) methods, to breast magnetic resonance imaging (MRI) data using three well-established NLDR techniques, namely, ISOMAP, local linear embedding (LLE), and diffusion maps (DfM), to perform a comparative performance analysis. Methods: Twenty-five breast lesion subjects were scanned using a 3T scanner. MRI sequences used were T1-weighted, T2-weighted, diffusion-weighted imaging (DWI), and dynamic contrast-enhanced (DCE) imaging. The hybrid scheme consisted of two steps: preprocessing and postprocessing of the data. The preprocessing step was applied for B{sub 1} inhomogeneity correction, image registration, and wavelet-based image compression to match and denoise the data. In the postprocessing step, MRI parameters were considered data dimensions and the NLDR-based hybrid approach was applied to integrate the MRI parameters into a single image, termed the embedded image. This was achieved by mapping all pixel intensities from the higher dimension to a lower dimensional (embedded) space. For validation, the authors compared the hybrid NLDR with linear methods of principal component analysis (PCA) and multidimensional scaling (MDS) using synthetic data. For the clinical application, the authors used breast MRI data, comparison was performed using the postcontrast DCE MRI image and evaluating the congruence of the segmented lesions. Results: The NLDR-based hybrid approach was able to define and segment both synthetic and clinical data. In the synthetic data, the authors demonstrated the performance of the NLDR method compared with conventional linear DR methods. The NLDR approach enabled successful segmentation of the structures, whereas, in most cases, PCA and MDS failed. The NLDR approach was able to segment different breast tissue types with a high accuracy and the embedded image of the breast MRI data demonstrated fuzzy boundaries between the different types of breast tissue, i.e., fatty, glandular, and tissue with lesions (>86%). Conclusions: The proposed hybrid NLDR methods were able to segment clinical breast data with a high accuracy and construct an embedded image that visualized the contribution of different radiological parameters.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

A quality assurance framework for the fully automated and objective evaluation of image quality in cone-beam computed tomography

Purpose: Thousands of cone-beam computed tomography (CBCT) scanners for vascular, maxillofacial, neurological, and body imaging are in clinical use today, but there is no consensus on uniform acceptance and constancy testing for image quality (IQ) and dose yet. The authors developed a quality assurance (QA) framework for fully automated and time-efficient performance evaluation of these systems. In addition, the dependence of objective Fourier-based IQ metrics on direction and position in 3D volumes was investigated for CBCT. Methods: The authors designed a dedicated QA phantom 10 cm in length consisting of five compartments, each with a diameter of 10 cm, and an optional extension ring 16 cm in diameter. A homogeneous section of water-equivalent material allows measuring CT value accuracy, image noise and uniformity, and multidimensional global and local noise power spectra (NPS). For the quantitative determination of 3D high-contrast spatial resolution, the modulation transfer function (MTF) of centrally and peripherally positioned aluminum spheres was computed from edge profiles. Additional in-plane and axial resolution patterns were used to assess resolution qualitatively. The characterization of low-contrast detectability as well as CT value linearity and artifact behavior was tested by utilizing sections with soft-tissue-equivalent and metallic inserts. For an automated QA procedure, a phantom detection algorithm was implemented. All tests used in the dedicated QA program were initially verified in simulation studies and experimentally confirmed on a clinical dental CBCT system. Results: The automated IQ evaluation of volume data sets of the dental CBCT system was achieved with the proposed phantom requiring only one scan for the determination of all desired parameters. Typically, less than 5 min were needed for phantom set-up, scanning, and data analysis. Quantitative evaluation of system performance over time by comparison to previous examinations was also verified. The maximum percentage interscan variation of repeated measurements was less than 4% and 1.7% on average for all investigated quality criteria. The NPS-based image noise differed by less than 5% from the conventional standard deviation approach and spatially selective 10% MTF values were well comparable to subjective results obtained with 3D resolution pattern. Determining only transverse spatial resolution and global noise behavior in the central field of measurement turned out to be insufficient. Conclusions: The proposed framework transfers QA routines employed in conventional CT in an advanced version to CBCT for fully automated and time-efficient evaluation of technical equipment. With the modular phantom design, a routine as well as an expert version for assessing IQ is provided. The QA program can be used for arbitrary CT units to evaluate 3D imaging characteristics automatically.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Analysis of perceived similarity between pairs of microcalcification clusters in mammograms

Purpose: Content-based image retrieval aims to assist radiologists by presenting example images with known pathology that are visually similar to the case being evaluated. In this work, the authors investigate several fundamental issues underlying the similarity ratings between pairs of microcalcification (MC) lesions on mammograms as judged by radiologists: the degree of variability in the similarity ratings, the impact of this variability on agreement between readers in retrieval of similar lesions, and the factors contributing to the readers’ similarity ratings. Methods: The authors conduct a reader study on a set of 1000 image pairs of MC lesions, in which a group of experienced breast radiologists rated the degree of similarity between each image pair. The image pairs are selected, from among possible pairings of 222 cases (110 malignant, 112 benign), based on quantitative image attributes (features) and the results of a preliminary reader study. Next, the authors apply analysis of variance (ANOVA) to quantify the level of variability in the readers’ similarity ratings, and study how the variability in individual reader ratings affects consistency between readers. The authors also measure the extent to which readers agree on images which are most similar to a given query, for which the Dice coefficient is used. To investigate how the similarity ratings potentially relate to the attributes underlying the cases, the authors study the fraction of perceptually similar images that also share the same benign or malignant pathology as the query image; moreover, the authors apply multidimensional scaling (MDS) to embed the cases according to their mutual perceptual similarity in a two-dimensional plot, which allows the authors to examine the manner in which similar lesions relate to one another in terms of benign or malignant pathology and clustered MCs. Results: The ANOVA results show that the coefficient of determination in the reader similarity ratings is 0.59. The variability level in the similarity ratings is proved to be a limiting factor, leading to only moderate correlation between the readers in their readings. The Dice coefficient, measuring agreement between readers in retrieval of similar images, can vary from 0.45 to 0.64 with different levels of similarity for individual readers, but is higher for average ratings from a group of readers (from 0.59 to 0.78). More importantly, the fraction of retrieved cases that match the benign or malignant pathology of the query image was found to increase with the degree of similarity among the retrieved images, reaching average value as high as 0.69 for the radiologists (p-value <10{sup −4} compared to random guessing). Moreover, MDS embedding of all the cases shows that cases having the same pathology tend to cluster together, and that neighboring cases in the plot tend to be similar in their clustered MCs. Conclusions: While individual readers exhibit substantial variability in their similarity ratings, similarity ratings averaged from a group of readers can achieve a high level of intergroup consistency and agreement in retrieval of similar images. More importantly, perceptually similar cases are also likely to be similar in their underlying benign or malignant pathology and image features of clustered MCs, which could be of diagnostic value in computer-aided diagnosis for lesions with clustered MCs.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Experimental evaluation and basis function optimization of the spatially variant image-space PSF on the Ingenuity PET/MR scanner

Purpose: The Ingenuity time-of-flight (TF) PET/MR is a recently developed hybrid scanner combining the molecular imaging capabilities of PET with the excellent soft tissue contrast of MRI. It is becoming common practice to characterize the system's point spread function (PSF) and understand its variation under spatial transformations to guide clinical studies and potentially use it within resolution recovery image reconstruction algorithms. Furthermore, due to the system's utilization of overlapping and spherical symmetric Kaiser-Bessel basis functions during image reconstruction, its image space PSF and reconstructed spatial resolution could be affected by the selection of the basis function parameters. Hence, a detailed investigation into the multidimensional basis function parameter space is needed to evaluate the impact of these parameters on spatial resolution. Methods: Using an array of 12 × 7 printed point sources, along with a custom made phantom, and with the MR magnet on, the system's spatially variant image-based PSF was characterized in detail. Moreover, basis function parameters were systematically varied during reconstruction (list-mode TF OSEM) to evaluate their impact on the reconstructed resolution and the image space PSF. Following the spatial resolution optimization, phantom, and clinical studies were subsequently reconstructed using representative basis function parameters. Results: Based on the analysis and under standard basis function parameters, the axial and tangential components of the PSF were found to be almost invariant under spatial transformations (∼4 mm) while the radial component varied modestly from 4 to 6.7 mm. Using a systematic investigation into the basis function parameter space, the spatial resolution was found to degrade for basis functions with a large radius and small shape parameter. However, it was found that optimizing the spatial resolution in the reconstructed PET images, while having a good basis function superposition and keeping the image representation error to a minimum, is feasible, with the parameter combination range depending upon the scanner's intrinsic resolution characteristics. Conclusions: Using the printed point source array as a MR compatible methodology for experimentally measuring the scanner's PSF, the system's spatially variant resolution properties were successfully evaluated in image space. Overall the PET subsystem exhibits excellent resolution characteristics mainly due to the fact that the raw data are not under-sampled/rebinned, enabling the spatial resolution to be dictated by the scanner's intrinsic resolution and the image reconstruction parameters. Due to the impact of these parameters on the resolution properties of the reconstructed images, the image space PSF varies both under spatial transformations and due to basis function parameter selection. Nonetheless, for a range of basis function parameters, the image space PSF remains unaffected, with the range depending on the scanner's intrinsic resolution properties.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Mediastinal lymph node detection and station mapping on chest CT using spatial priors and random forest

Purpose: To develop an automated system for mediastinal lymph node detection and station mapping for chest CT. Methods: The contextual organs, trachea, lungs, and spine are first automatically identified to locate the region of interest (ROI) (mediastinum). The authors employ shape features derived from Hessian analysis, local object scale, and circular transformation that are computed per voxel in the ROI. Eight more anatomical structures are simultaneously segmented by multiatlas label fusion. Spatial priors are defined as the relative multidimensional distance vectors corresponding to each structure. Intensity, shape, and spatial prior features are integrated and parsed by a random forest classifier for lymph node detection. The detected candidates are then segmented by the following curve evolution process. Texture features are computed on the segmented lymph nodes and a support vector machine committee is used for final classification. For lymph node station labeling, based on the segmentation results of the above anatomical structures, the textual definitions of mediastinal lymph node map according to the International Association for the Study of Lung Cancer are converted into patient-specific color-coded CT image, where the lymph node station can be automatically assigned for each detected node. Results: The chest CT volumes from 70 patients with 316 enlarged mediastinal lymph nodes are used for validation. For lymph node detection, their system achieves 88% sensitivity at eight false positives per patient. For lymph node station labeling, 84.5% of lymph nodes are correctly assigned to their stations. Conclusions: Multiple-channel shape, intensity, and spatial prior features aggregated by a random forest classifier improve mediastinal lymph node detection on chest CT. Using the location information of segmented anatomic structures from the multiatlas formulation enables accurate identification of lymph node stations.

60 APPLIED LIFE SCIENCES↗

SU-F-P-08: Medical Physics Perspective On Radiation Therapy Quality and Safety Considerations in Low Income Settings

Purpose: The last few years have seen a significant growth of interest in the global radiation therapy crisis. Various organizations are quantifying the need and providing aid in support of addressing the shortfall existing in many low-to-middle income countries (LMICs). The Lancet Oncology Commission report (Lancet Oncol. Sep;16(10):1153-86, 2015) projects a need of 22,000 new medical physicists in LMICs by 2035 if there is to be equal access globally. With the tremendous demand for new facilities, equipment and personnel, it is very important to recognize quality and safety considerations and to address them directly. Methods: A detailed examination of quality and safety publications was undertaken. A paper by Dunscombe (Front. Oncol. 2: 129, 2012) reviewed the recommendations of 7 authoritative reports on safety in radiation therapy and found the 12 most cited recommendations, summarized in order of most to least cited: training, staffing, documentation/standard operating procedures, incident learning, communication/questioning, check lists, QC/PM, dosimetric audit, accreditation, minimizing interruptions, prospective risk assessment, and safety culture. However, these authoritative reports were generally based on input from high income contexts. In this work, the recommendations were analyzed with a special emphasis on issues that are significant in LMICs. Results: The review indicated that there are significant challenges in LMICs with training and staffing ranking at the top in terms quality and safety. Conclusion: With the recognized need for expanding global access to radiation therapy, especially in LMICs, and the backing by multiple support organizations, quality and safety considerations must be overtly addressed. While multidimensional, training and staffing are top priorities. The use of outdated systems with poor interconnectivity, coupled with a lack of systematic QA in high patient load settings are additional concerns. Any support provided to lower resourced settings must address the multiple facets associated with these quality and safety indicators.

60 APPLIED LIFE SCIENCES↗

WE-AB-BRB-00: Session in Memory of Robert J. Shalek: High Resolution Dosimetry from 2D to 3D to Real-Time 3D

Despite widespread IMRT treatments at modern radiation therapy clinics, precise dosimetric commissioning of an IMRT system remains a challenge. In the most recent report from the Radiological Physics Center (RPC), nearly 20% of institutions failed an end-to-end test with an anthropomorphic head and neck phantom, a test that has rather lenient dose difference and distance-to-agreement criteria of 7% and 4 mm. The RPC report provides strong evidence that IMRT implementation is prone to error and that improved quality assurance tools are required. At the heart of radiation therapy dosimetry is the multidimensional dosimeter. However, due to the limited availability of water-equivalent dosimetry materials, research and development in this important field is challenging. In this session, we will review a few dosimeter developments that are either in the laboratory phase or in the pre-commercialization phase. 1) Radiochromic plastic. Novel formulations exhibit light absorbing optical contrast with very little scatter, enabling faster, broad beam optical CT design. 2) Storage phosphor. After irradiation, the dosimetry panels will be read out using a dedicated 2D scanning apparatus in a non-invasive, electro-optic manner and immediately restored for further use. 3) Liquid scintillator. Scintillators convert the energy from x-rays and proton beams into visible light, which can be recorded with a scientific camera (CCD or CMOS) from multiple angles. The 3D shape of the dose distribution can then be reconstructed. 4) Cherenkov emission imaging. Gated intensified imaging allows video-rate passive detection of Cherenkov emission during radiation therapy with the room lights on. Learning Objectives: To understand the physics of a variety of dosimetry techniques based upon optical imaging To investigate the strategies to overcome respective challenges and limitations To explore novel ideas of dosimeter design Supported in part by NIH Grants R01CA148853, R01CA182450, R01CA109558. Brian Pogue is founder and president of the company DoseOptics LLC, dedicated to developing and commercializing the first dedicated Cerenkov imaging camera and system for radiation dose imaging. Work reported in this talk does not involve the use of DoseOptics technology.; H. Li, this work was supported in part by NIH Grant No. R01CA148853; S. Beddar, NIH funding R01-CA182450.

60 APPLIED LIFE SCIENCES↗

WE-AB-BRB-01: Memorial Introduction; Storage Phosphor Panels for Radiation Therapy Dosimetry

Despite widespread IMRT treatments at modern radiation therapy clinics, precise dosimetric commissioning of an IMRT system remains a challenge. In the most recent report from the Radiological Physics Center (RPC), nearly 20% of institutions failed an end-to-end test with an anthropomorphic head and neck phantom, a test that has rather lenient dose difference and distance-to-agreement criteria of 7% and 4 mm. The RPC report provides strong evidence that IMRT implementation is prone to error and that improved quality assurance tools are required. At the heart of radiation therapy dosimetry is the multidimensional dosimeter. However, due to the limited availability of water-equivalent dosimetry materials, research and development in this important field is challenging. In this session, we will review a few dosimeter developments that are either in the laboratory phase or in the pre-commercialization phase. 1) Radiochromic plastic. Novel formulations exhibit light absorbing optical contrast with very little scatter, enabling faster, broad beam optical CT design. 2) Storage phosphor. After irradiation, the dosimetry panels will be read out using a dedicated 2D scanning apparatus in a non-invasive, electro-optic manner and immediately restored for further use. 3) Liquid scintillator. Scintillators convert the energy from x-rays and proton beams into visible light, which can be recorded with a scientific camera (CCD or CMOS) from multiple angles. The 3D shape of the dose distribution can then be reconstructed. 4) Cherenkov emission imaging. Gated intensified imaging allows video-rate passive detection of Cherenkov emission during radiation therapy with the room lights on. Learning Objectives: To understand the physics of a variety of dosimetry techniques based upon optical imaging To investigate the strategies to overcome respective challenges and limitations To explore novel ideas of dosimeter design Supported in part by NIH Grants R01CA148853, R01CA182450, R01CA109558. Brian Pogue is founder and president of the company DoseOptics LLC, dedicated to developing and commercializing the first dedicated Cerenkov imaging camera and system for radiation dose imaging. Work reported in this talk does not involve the use of DoseOptics technology.; H. Li, this work was supported in part by NIH Grant No. R01CA148853; S. Beddar, NIH funding R01-CA182450.

60 APPLIED LIFE SCIENCES↗

WE-AB-BRB-02: Methods and Applications of 3D Radiochromic Dosimetry

Despite widespread IMRT treatments at modern radiation therapy clinics, precise dosimetric commissioning of an IMRT system remains a challenge. In the most recent report from the Radiological Physics Center (RPC), nearly 20% of institutions failed an end-to-end test with an anthropomorphic head and neck phantom, a test that has rather lenient dose difference and distance-to-agreement criteria of 7% and 4 mm. The RPC report provides strong evidence that IMRT implementation is prone to error and that improved quality assurance tools are required. At the heart of radiation therapy dosimetry is the multidimensional dosimeter. However, due to the limited availability of water-equivalent dosimetry materials, research and development in this important field is challenging. In this session, we will review a few dosimeter developments that are either in the laboratory phase or in the pre-commercialization phase. 1) Radiochromic plastic. Novel formulations exhibit light absorbing optical contrast with very little scatter, enabling faster, broad beam optical CT design. 2) Storage phosphor. After irradiation, the dosimetry panels will be read out using a dedicated 2D scanning apparatus in a non-invasive, electro-optic manner and immediately restored for further use. 3) Liquid scintillator. Scintillators convert the energy from x-rays and proton beams into visible light, which can be recorded with a scientific camera (CCD or CMOS) from multiple angles. The 3D shape of the dose distribution can then be reconstructed. 4) Cherenkov emission imaging. Gated intensified imaging allows video-rate passive detection of Cherenkov emission during radiation therapy with the room lights on. Learning Objectives: To understand the physics of a variety of dosimetry techniques based upon optical imaging To investigate the strategies to overcome respective challenges and limitations To explore novel ideas of dosimeter design Supported in part by NIH Grants R01CA148853, R01CA182450, R01CA109558. Brian Pogue is founder and president of the company DoseOptics LLC, dedicated to developing and commercializing the first dedicated Cerenkov imaging camera and system for radiation dose imaging. Work reported in this talk does not involve the use of DoseOptics technology.; H. Li, this work was supported in part by NIH Grant No. R01CA148853; S. Beddar, NIH funding R01-CA182450.

60 APPLIED LIFE SCIENCES↗

WE-AB-BRB-03: Real-Time Volumetric Scintillation Dosimetry for Radiation Therapy

Despite widespread IMRT treatments at modern radiation therapy clinics, precise dosimetric commissioning of an IMRT system remains a challenge. In the most recent report from the Radiological Physics Center (RPC), nearly 20% of institutions failed an end-to-end test with an anthropomorphic head and neck phantom, a test that has rather lenient dose difference and distance-to-agreement criteria of 7% and 4 mm. The RPC report provides strong evidence that IMRT implementation is prone to error and that improved quality assurance tools are required. At the heart of radiation therapy dosimetry is the multidimensional dosimeter. However, due to the limited availability of water-equivalent dosimetry materials, research and development in this important field is challenging. In this session, we will review a few dosimeter developments that are either in the laboratory phase or in the pre-commercialization phase. 1) Radiochromic plastic. Novel formulations exhibit light absorbing optical contrast with very little scatter, enabling faster, broad beam optical CT design. 2) Storage phosphor. After irradiation, the dosimetry panels will be read out using a dedicated 2D scanning apparatus in a non-invasive, electro-optic manner and immediately restored for further use. 3) Liquid scintillator. Scintillators convert the energy from x-rays and proton beams into visible light, which can be recorded with a scientific camera (CCD or CMOS) from multiple angles. The 3D shape of the dose distribution can then be reconstructed. 4) Cherenkov emission imaging. Gated intensified imaging allows video-rate passive detection of Cherenkov emission during radiation therapy with the room lights on. Learning Objectives: To understand the physics of a variety of dosimetry techniques based upon optical imaging To investigate the strategies to overcome respective challenges and limitations To explore novel ideas of dosimeter design Supported in part by NIH Grants R01CA148853, R01CA182450, R01CA109558. Brian Pogue is founder and president of the company DoseOptics LLC, dedicated to developing and commercializing the first dedicated Cerenkov imaging camera and system for radiation dose imaging. Work reported in this talk does not involve the use of DoseOptics technology.; H. Li, this work was supported in part by NIH Grant No. R01CA148853; S. Beddar, NIH funding R01-CA182450.

60 APPLIED LIFE SCIENCES↗

WE-AB-BRB-04: Cherenkov Imaging for Radiation Therapy Dose Verification On Patients

Despite widespread IMRT treatments at modern radiation therapy clinics, precise dosimetric commissioning of an IMRT system remains a challenge. In the most recent report from the Radiological Physics Center (RPC), nearly 20% of institutions failed an end-to-end test with an anthropomorphic head and neck phantom, a test that has rather lenient dose difference and distance-to-agreement criteria of 7% and 4 mm. The RPC report provides strong evidence that IMRT implementation is prone to error and that improved quality assurance tools are required. At the heart of radiation therapy dosimetry is the multidimensional dosimeter. However, due to the limited availability of water-equivalent dosimetry materials, research and development in this important field is challenging. In this session, we will review a few dosimeter developments that are either in the laboratory phase or in the pre-commercialization phase. 1) Radiochromic plastic. Novel formulations exhibit light absorbing optical contrast with very little scatter, enabling faster, broad beam optical CT design. 2) Storage phosphor. After irradiation, the dosimetry panels will be read out using a dedicated 2D scanning apparatus in a non-invasive, electro-optic manner and immediately restored for further use. 3) Liquid scintillator. Scintillators convert the energy from x-rays and proton beams into visible light, which can be recorded with a scientific camera (CCD or CMOS) from multiple angles. The 3D shape of the dose distribution can then be reconstructed. 4) Cherenkov emission imaging. Gated intensified imaging allows video-rate passive detection of Cherenkov emission during radiation therapy with the room lights on. Learning Objectives: To understand the physics of a variety of dosimetry techniques based upon optical imaging To investigate the strategies to overcome respective challenges and limitations To explore novel ideas of dosimeter design Supported in part by NIH Grants R01CA148853, R01CA182450, R01CA109558. Brian Pogue is founder and president of the company DoseOptics LLC, dedicated to developing and commercializing the first dedicated Cerenkov imaging camera and system for radiation dose imaging. Work reported in this talk does not involve the use of DoseOptics technology.; H. Li, this work was supported in part by NIH Grant No. R01CA148853; S. Beddar, NIH funding R01-CA182450.

60 APPLIED LIFE SCIENCES↗

Coherent diffraction imaging in the undergraduate laboratory

We present an undergraduate optics instructional laboratory designed to teach skills relevant to a broad range of modern scientific and technical careers. In this laboratory project, students image a custom aperture using coherent diffraction imaging, while learning principles and skills related to digital image processing and computational imaging, including multidimensional Fourier analysis, iterative phase retrieval, noise reduction, finite dynamic range, and sampling considerations. After briefly reviewing these imaging principles, we describe the required experimental materials and setup for this project. Our experimental apparatus is both inexpensive and portable, and a software application we developed for interactive data analysis is freely available.

Porter, J. Nicholas↗

Machine learning–enabled identification of material phase transitions based on experimental data: Exploring collective dynamics in ferroelectric relaxors

Exploration of phase transitions and construction of associated phase diagrams are of fundamental importance for condensed matter physics and materials science alike, and remain the focus of extensive research for both theoretical and experimental studies. For the latter, comprehensive studies involving scattering, thermodynamics, and modeling are typically required. We present a new approach to data mining multiple realizations of collective dynamics, measured through piezoelectric relaxation studies, to identify the onset of a structural phase transition in nanometer-scale volumes, that is, the probed volume of an atomic force microscope tip. Machine learning is used to analyze the multidimensional data sets describing relaxation to voltage and thermal stimuli, producing the temperature-bias phase diagram for a relaxor crystal without the need to measure (or know) the order parameter. The suitability of the approach to determine the phase diagram is shown with simulations based on a two-dimensional Ising model. Finally, these results indicate that machine learning approaches can be used to determine phase transitions in ferroelectrics, providing a general, statistically significant, and robust approach toward determining the presence of critical regimes and phase boundaries.

36 MATERIALS SCIENCE↗

Two-dimensional nuclear magnetic resonance spectroscopy with a microfluidic diamond quantum sensor

Quantum sensors based on nitrogen-vacancy centers in diamond have emerged as a promising detection modality for nuclear magnetic resonance (NMR) spectroscopy owing to their micrometer-scale detection volume and noninductive-based detection. A remaining challenge is to realize sufficiently high spectral resolution and concentration sensitivity for multidimensional NMR analysis of picoliter sample volumes. Here, we address this challenge by spatially separating the polarization and detection phases of the experiment in a microfluidic platform. We realize a spectral resolution of 0.65 ± 0.05 Hz, an order-of-magnitude improvement over previous diamond NMR studies. We use the platform to perform two-dimensional correlation spectroscopy of liquid analytes within an effective ~40-picoliter detection volume. The use of diamond quantum sensors as in-line microfluidic NMR detectors is a major step toward applications in mass-limited chemical analysis and single-cell biology.

Science & Technology - Other Topics↗

Intermolecular vibrations mediate ultrafast singlet fission

Singlet fission is a spin-allowed exciton multiplication process in organic semiconductors that converts one spin-singlet exciton to two triplet excitons. It offers the potential to enhance solar energy conversion by circumventing the Shockley-Queisser limit on efficiency. We study the primary steps of singlet fission in a pentacene film by using a combination of TG and 2D electronic spectroscopy complemented by quantum chemical and nonadiabatic dynamics calculations. We show that the coherent vibrational dynamics induces the ultrafast transition from the singlet excited electronic state to the triplet-pair state via a degeneracy of potential energy surfaces, i.e., a multidimensional conical intersection. Significant vibronic coupling of the electronic wave packet to a few key intermolecular rocking modes in the low-frequency region connect the excited singlet and triplet-pair states. Along with high-frequency local vibrations acting as tuning modes, they open a new channel for the ultrafast exciton transfer through the resulting conical intersection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultrahigh strength, modulus, and conductivity of graphitic fibers by macromolecular coalescence

Theoretical considerations suggest that the strength of carbon nanotube (CNT) fibers be exceptional; however, their mechanical performance values are much lower than the theoretical values. To achieve macroscopic fibers with ultrahigh performance, we developed a method to form multidimensional nanostructures by coalescence of individual nanotubes. The highly aligned wet-spun fibers of single- or double-walled nanotube bundles were graphitized to induce nanotube collapse and multi-inner walled structures. These advanced nanostructures formed a network of interconnected, close-packed graphitic domains. Their near-perfect alignment and high longitudinal crystallinity that increased the shear strength between CNTs while retaining notable flexibility. The resulting fibers have an exceptional combination of high tensile strength (6.57 GPa), modulus (629 GPa), thermal conductivity (482 W/m·K), and electrical conductivity (2.2 MS/m), thereby overcoming the limits associated with conventional synthetic fibers.

36 MATERIALS SCIENCE↗

Topology-imprinting in nonlinear metasurfaces

Flat optical components, or metasurfaces, have transformed optical imaging, data storage, information processing, and biomedical applications by providing unprecedented control over light-matter interactions. These nano-engineered structures enable compact, multidimensional manipulation of light’s amplitude, phase, polarization, and wavefront, producing scalar and vector beams with unique properties such as orbital angular momentum and knotted topologies. This flexibility has potential applications in optical communication and imaging, particularly in complex environments such as atmospheric turbulence and undersea scattering. However, designing metasurfaces for shorter wavelengths, such as visible and ultraviolet light, remains challenging due to fabrication limitations and material absorption. Here, we introduce an innovative concept called topology imprinting using judiciously designed all-dielectric nonlinear optical metasurfaces to replicate desired waveforms at fundamental and harmonic frequencies, opening promising avenues for advanced photonic applications.

42 ENGINEERING↗