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DOE OSTI2011

Anomalies, gauge field topology, and the lattice

Motivated by the connection between gauge field topology and the axial anomaly in fermion currents, I suggest that the fourth power of the naive Dirac operator can provide a natural method to define a local lattice measure of topological charge. For smooth gauge fields this reduces to the usual topological density. For typical gauge field configurations in a numerical simulation, however, quantum fluctuations dominate, and the sum of this density over the system does not generally give an integer winding. On cooling with respect to the Wilson gauge action, instanton like structures do emerge. As cooling proceeds, these objects tend shrink and finally 'fall through the lattice.' Modifying the action can block the shrinking at the expense of a loss of reflection positivity. The cooling procedure is highly sensitive to the details of the initial steps, suggesting that quantum fluctuations induce a small but fundamental ambiguity in the definition of topological susceptibility.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2012

Respiration Induced Heart Motion and Indications of Gated Delivery for Left-Sided Breast Irradiation

Purpose: To investigate respiration-induced heart motion for left-sided breast irradiation using a four-dimensional computed tomography (4DCT) technique and to determine novel indications to assess heart motion and identify breast patients who may benefit from a gated treatment. Methods and Materials: Images of 4DCT acquired during free breathing for 20 left-sided breast cancer patients, who underwent whole breast irradiation with or without regional nodal irradiation, were analyzed retrospectively. Dose distributions were reconstructed in the phases of 0%, 20%, and 50%. The intrafractional heart displacement was measured in three selected transverse CT slices using D{sub LAD} (the distance from left ascending aorta to a fixed line [connecting middle point of sternum and the body] drawn on each slice) and maximum heart depth (MHD, the distance of the forefront of the heart to the line). Linear regression analysis was used to correlate these indices with mean heart dose and heart dose volume at different breathing phases. Results: Respiration-induced heart displacement resulted in observable variations in dose delivered to the heart. During a normal free-breathing cycle, heart-induced motion D{sub LAD} and MHD changed up to 9 and 11 mm respectively, resulting in up to 38% and 39% increases of mean doses and V{sub 25.2} for the heart. MHD and D{sub LAD} were positively correlated with mean heart dose and heart dose volume. Respiratory-adapted gated treatment may better spare heart and ipsilateral-lung compared with the conventional non-gated plan in a subset of patients with large D{sub LAD} or MHD variations. Conclusion: Proposed indices offer novel assessment of heart displacement based on 4DCT images. MHD and D{sub LAD} can be used independently or jointly as selection criteria for respiratory gating procedure before treatment planning. Patients with great intrafractional MHD variations or tumor(s) close to the diaphragm may particularly benefit from the gated treatment.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2016

Optimization of oncological {sup 18}F-FDG PET/CT imaging based on a multiparameter analysis

Purpose: This paper describes a method to achieve consistent clinical image quality in {sup 18}F-FDG scans accounting for patient habitus, dose regimen, image acquisition, and processing techniques. Methods: Oncological PET/CT scan data for 58 subjects were evaluated retrospectively to derive analytical curves that predict image quality. Patient noise equivalent count rate and coefficient of variation (CV) were used as metrics in their analysis. Optimized acquisition protocols were identified and prospectively applied to 179 subjects. Results: The adoption of different schemes for three body mass ranges (<60 kg, 60–90 kg, >90 kg) allows improved image quality with both point spread function and ordered-subsets expectation maximization-3D reconstruction methods. The application of this methodology showed that CV improved significantly (p < 0.0001) in clinical practice. Conclusions: Consistent oncological PET/CT image quality on a high-performance scanner was achieved from an analysis of the relations existing between dose regimen, patient habitus, acquisition, and processing techniques. The proposed methodology may be used by PET/CT centers to develop protocols to standardize PET/CT imaging procedures and achieve better patient management and cost-effective operations.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2016

Demonstration of SuperLig{sup R} 605 and SuperLig{sup R} 644 in a Regeneration Flow Sheet to Remove Radioactive Strontium and Cesium from Seawater - 16236

Remediation techniques are needed for efficient removal of radioactive strontium and cesium from seawater. Molecular Recognition Technology, using selective SuperLig{sup R} resins, demonstrates a clean chemistry approach to solving this problem. Molecular Recognition Technology offers high levels of separation of chemically pure metal contaminants, whose subsequent disposal is compatible with simple waste forms (grout and glass). SuperLig{sup R} resins can be regenerated with common reagents and used many times, limited by a dose of 1 E+9 Rad, which assures low volumes of secondary solid waste. The metal selectivity of the SuperLig{sup R} resin ensures that the solid waste is of low residual activity. These properties of sustainability are illustrated in a project that demonstrated the ability of two SuperLig{sup R} resins to selectively remove Cs and Sr from a seawater mimic representative of the contaminated seawater in Fukushima, Dai'ichi, Japan harbor. Removal of radioactive Sr-90 and Cs-134/Cs-137 from seawater using conventional ion exchange or a complexing agent is complicated by the presence of large excesses of competing ions such as Na, K, Ca, and Mg, which can be co-extracted. These competing ions, if co-extracted, reduce the capacity of a single pass resin with the consequent increase in volume of spent resin or decrease in capacity of a regenerable resin. The successful demonstration reported in this study has shown the ability of two proprietary resins, SuperLig{sup R} 605 and SuperLig{sup R} 644, to remove Sr and Cs, respectively, with high selectivity from simulated solutions containing these metal ions together with major constituents of seawater at their normal concentrations. This effort was part of a demonstration project to investigate methods for removal of Sr-90 and Cs-134/Cs-137 from 160,000 cubic meters of seawater impounded at Fukushima, Dai'ichi, Japan harbor. SuperLig{sup R} resins can be regenerated by elution with small volumes of simple acid solutions. SuperLig{sup R} resins have a high tolerance to radiation, with their performance not being degraded by doses of 1.0 E+9 Rad. Estimates, based on the results obtained, are that Cs and Sr levels in the volume of seawater in the Fukushima, Dai'ichi, Japan harbor could be reduced to desired discharge limits in 200 days with some 30 cubic meters of the two SuperLig{sup R} resins and that decontamination factors of 10 or more could be achieved. Results of the demonstration, together with advantages of the Molecular Recognition Technology process over conventional procedures for these separations are presented and discussed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Radiation Dose Reduction in CT Fluoroscopy-Guided Cervical Transforaminal Epidural Steroid Injection by Modifying Scout and Planning Steps

Background and PurposeIn CT fluoroscopy (CTF)-guided cervical transforaminal epidural steroid injection (TFESI), the majority of radiation dose is contributed by the planning CT scan rather than the CTF procedure itself. We replaced the planning helical CT with a spot CTF and accordingly changed the patient posture during scout and planning scans. The aim of this study was to test whether radiation dose reduction would be achieved by this protocol modification while still maintaining technical performance.MethodsOverall, 338 consecutive procedures before (control group: n = 163) and after (study group: n = 175) instituting the above-mentioned protocol modification were analyzed retrospectively, comparing patient characteristics (age, sex, neck diameter, and level injected) and technical performance [technical success rate, dose-length product (DLP), inadvertent contrast flow incidence, number of CTF acquisitions, and procedural time] between the two groups.ResultsAll injections were technically successful at every level from C3–C4 to C7–T1 without serious complications in both groups. The median DLP of the study group (7.92 mGy·cm) was significantly reduced compared to that of the control group (39.05 mGy·cm, P < 0.001). There were no significant differences between the two groups regarding the incidence of inadvertent contrast flow (20.6 vs. 17.2 %, P = 0.426), number of CTF acquisitions (median 5 vs. 4, P = 0.123), and the procedural time (median 6.62 vs. 6.90 min, P = 0.100).ConclusionsWhen conducting CTF-guided cervical TFESIs, a significant radiation dose reduction (median 79.7 % in DLP) can be achieved by modifying scout and planning steps, without compromising the technical performance.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2019

Fusion Imaging and Virtual Navigation to Guide Percutaneous Thermal Ablation of Hepatocellular Carcinoma: A Review of the Literature

As medical imaging advancements have improved the detectability of hepatocellular carcinoma (HCC) in early stages, the approach to percutaneous thermal ablation for curative treatment has concomitantly advanced. Although many centers are adopting cross-sectional imaging to guide percutaneous ablation, the majority of procedures are still performed under ultrasound (US) guidance worldwide. Challenges to ultrasound guidance may present due to relatively poor resolution particularly with small or isoechoic lesions, or due to intervening structures such as the bowel or diaphragm that obstruct lesional visualization. Fusion imaging (FI) systems have been employed to address these challenges. By merging or synchronizing the real-time images from US with a previously obtained cross-sectional study, FI mitigates the inherent limitations of each individual imaging modality and expands procedural feasibility and technical outcomes. This manuscript reviews the current literature on the use of FI during percutaneous thermal ablation of HCC.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2010

Measurement and Simulation of Interpenetration and DC Accumulation of Beam in the University of Maryland Electron Ring

The University of Maryland Electron Ring (UMER) is a facility to study the long-path length physics of a highly space-charge dominated beam. Optimizing the ring characteristics to maximize beam lifetime has required an understanding of both the longitudinal and transverse dynamics of the beam and how they are coupled. A combination of experimental and numerical evidence is presented to show that front end of the injected bunch is accelerated by longitudinal space charge forces while the back of the same bunch is similarly decelerated leading to a longitudinal expansion of the injected bunch. This continues until the head overtakes the tail of the preceding turn. A significant portion of the apparent beam current decay is actually due to the merging of the head and tail, which results in a difficult-to-measure DC component of the beam. We also present a novel measurement technique to examine this longitudinal behavior that uses a voltage pulse applied between the horizontal plates at a beam position monitor. The pulse amplitude is sufficient to deflect the beam so that it intercepts the chamber wall. The resulting notch in the beam current, which can be varied in time, allows reconstruction of the DC component. Combined with simulations of the longitudinal and transverse beam characteristics this procedure provides data that can be used to understand the underlying beam dynamics.

43 PARTICLE ACCELERATORS↗

DOE OSTI2011

Recommendations of the American Association of Physicists in Medicine on dosimetry, imaging, and quality assurance procedures for {sup 90}Y microsphere brachytherapy in the treatment of hepatic malignancies

Yttrium-90 microsphere brachytherapy of the liver exploits the distinctive features of the liver anatomy to treat liver malignancies with beta radiation and is gaining more wide spread clinical use. This report provides a general overview of microsphere liver brachytherapy and assists the treatment team in creating local treatment practices to provide safe and efficient patient treatment. Suggestions for future improvements are incorporated with the basic rationale for the therapy and currently used procedures. Imaging modalities utilized and their respective quality assurance are discussed. General as well as vendor specific delivery procedures are reviewed. The current dosimetry models are reviewed and suggestions for dosimetry advancement are made. Beta activity standards are reviewed and vendor implementation strategies are discussed. Radioactive material licensing and radiation safety are discussed given the unique requirements of microsphere brachytherapy. A general, team-based quality assurance program is reviewed to provide guidance for the creation of the local procedures. Finally, recommendations are given on how to deliver the current state of the art treatments and directions for future improvements in the therapy.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2019

ACC/AATS/AHA/ASE/ASNC/HRS/SCAI/SCCT/SCMR/STS 2019 Appropriate Use Criteria for Multimodality Imaging in the Assessment of Cardiac Structure and Function in Nonvalvular Heart Disease

This document is the second of 2 companion appropriate use criteria (AUC) documents developed by the American College of Cardiology, American Association for Thoracic Surgery, American Heart Association, American Society of Echocardiography, American Society of Nuclear Cardiology, Heart Rhythm Society, Society for Cardiovascular Angiography and Interventions, Society of Cardiovascular Computed Tomography, Society for Cardiovascular Magnetic Resonance, and Society of Thoracic Surgeons. The first document (J Am Coll Cardiol 2017;70:1647-1672) addresses the evaluation and use of multimodality imaging in the diagnosis and management of valvular heart disease, whereas this document addresses this topic with regard to structural (nonvalvular) heart disease. While dealing with different subjects, the 2 documents do share a common structure and feature some clinical overlap. The goal of the companion AUC documents is to provide a comprehensive resource for multimodality imaging in the context of structural and valvular heart disease, encompassing multiple imaging modalities. Using standardized methodology, the clinical scenarios (indications) were developed by a diverse writing group to represent patient presentations encountered in everyday practice and included common applications and anticipated uses. Where appropriate, the scenarios were developed on the basis of the most current American College of Cardiology/American Heart Association Clinical Practice Guidelines. A separate, independent rating panel scored the 102 clinical scenarios in this document on a scale of 1 to 9. Scores of 7 to 9 indicate that a modality is considered appropriate for the clinical scenario presented. Midrange scores of 4 to 6 indicate that a modality may be appropriate for the clinical scenario, and scores of 1 to 3 indicate that a modality is considered rarely appropriate for the clinical scenario. The primary objective of the AUC is to provide a framework for the assessment of these scenarios by practices that will improve and standardize physician decision making. AUC publications reflect an ongoing effort by the American College of Cardiology to critically and systematically create, review, and categorize clinical situations in which diagnostic tests and procedures are utilized by physicians caring for patients with cardiovascular diseases. The process is based on the current understanding of the technical capabilities of the imaging modalities examined.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2011

STRONG GRAVITATIONAL LENS MODELING WITH SPATIALLY VARIANT POINT-SPREAD FUNCTIONS

Astronomical instruments generally possess spatially variant point-spread functions, which determine the amount by which an image pixel is blurred as a function of position. Several techniques have been devised to handle this variability in the context of the standard image deconvolution problem. We have developed an iterative gravitational lens modeling code called Mirage that determines the parameters of pixelated source intensity distributions for a given lens model. We are able to include the effects of spatially variant point-spread functions using the iterative procedures in this lensing code. In this paper, we discuss the methods to include spatially variant blurring effects and test the results of the algorithm in the context of gravitational lens modeling problems.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

BAM challenges for design testing of waste containers for the final repository KONRAD

Up to the end of this decade, corresponding to the planned date of starting operation in the final disposal KONRAD for non-heat generating waste in Germany, a lot of efforts are needed to condition and package the radioactive waste in containers certified by BfS (Federal Institute for Radiation Protection). This waste is produced by public sector and industry as well as nuclear energy facilities, which result in more than a half of the actually declared quantity growing especially after the phase out decision of nuclear power production in Germany and the subsequent decommissioning of nuclear power plants. BAM (Federal Institute for Materials Research and Testing) acts as responsible authority on behalf of BfS for design testing under consideration of the KONRAD requirements. Within the assessment procedure of containers, BAM has to verify the application documents, including material qualification, container geometry, corrosion protection, leakage rate and operational and accidental loading, and to evaluate quality assurance measures. Besides the previous completed approvals for various containers such as steel sheet and cast iron box-shaped containers and concrete cylindrical ones, BAM is actually carrying assessments for other types such as cast iron cylindrical containers and 'old' steel sheet box shaped ones. The so called 'old' containers present already loaded containers without any KONRAD certification, currently stored at licensed interim storages. In the benefit of the container assessment, BAM operates design testing facilities for drop and fire tests which are also used for research objectives to improve and expand the evaluation methods such as research project ConDrop. The latter deals with numerical simulations and analyses tools for further precise predictions about unfavorable drop test scenarios, safety margins, and design sensitivities for steel sheet containers. Furthermore, during the assessment procedure, several specifications about the containers, the inventory to be disposed and the required safety level have been intensely debated by authorities and applicants. Based on its experience in qualifying containers, BAM has been commissioned to identify insufficiently specified aspects in the waste acceptance criteria and to propose clearer definitions with regard to the secondary regulations in the planning approval notice. This paper focuses on aspects of the contribution of BAM in certifying KONRAD waste containers. This will include the current state of design testing procedures, evaluation methods that are available or are being developed and the main topics within the KONRAD requirements being actually specified by BAM. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

TU-F-201-00: Radiochromic Film Dosimetry Update

Since the introduction of radiochromic films (RCF) for radiation dosimetry, the scope of RCF dosimetry has expanded steadily to include many medical applications, such as radiation therapy and diagnostic radiology. The AAPM Task Group (TG) 55 published a report on the recommendations for RCF dosimetry in 1998. As the technology is advancing rapidly, and its routine clinical use is expanding, TG 235 has been formed to provide an update to TG-55 on radiochromic film dosimetry. RCF dosimetry applications in clinical radiotherapy have become even more widespread, expanding from primarily brachytherapy and radiosurgery applications, and gravitating towards (but not limited to) external beam therapy (photon, electron and protons), such as quality assurance for IMRT, VMAT, Tomotherapy, SRS/SRT, and SBRT. In addition, RCF applications now extend to measurements of radiation dose in particle beams and patients undergoing medical exams, especially fluoroscopically guided interventional procedures and CT. The densitometers/scanners used for RCF dosimetry have also evolved from the He-Ne laser scanner to CCD-based scanners, including roller-based scanner, light box-based digital camera, and flatbed color scanner. More recently, multichannel RCF dosimetry introduced a new paradigm for external beam dose QA for its high accuracy and efficiency. This course covers in detail the recent advancements in RCF dosimetry. Learning Objectives: Introduce the paradigm shift on multichannel film dosimetry Outline the procedures to achieve accurate dosimetry with a RCF dosimetry system Provide comprehensive guidelines on RCF dosimetry for various clinical applications One of the speakers has a research agreement from Ashland Inc., the manufacturer of Gafchromic film.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Molten Salt Oxidation of Ion Exchange and Oils in Carbonate Salts and Evaporator Residue - 16531

Molten Salt Oxidation is a well-studied and robust technology. Recently, renewed interest in the technology has been seen due to limitations on the use of incineration for hazardous and radioactive waste streams. The nuclear research center at Rez, near Prague, has been investigating a bench scale molten salt oxidation system to provide insight for the design of a pilot scale system to condition spent ion exchange resin and scintillator oils. The use of both an eutectic K/Na/Li carbonate salt and a simulated residue salt for liquid waste obtained from evaporated primary coolant of nuclear reactors was examined. In these studies the usable capacity of the salts were examined. Materials doped with surrogate radioisotopes were processed and the capture efficiency was measured. Corrosion of the reactor vessel is of significant engineering concern. Corrosion coupon tests were performed for Inconel HX and stainless steel. These tests provided corrosion rates to assist in design of pilot scale systems. While the bench scale reactor's detention time was too short to provide complete combustion, the values of emissions were tracked and showed an increase in the combustion efficiency at temperatures greater than 750 deg. C. A two part reactor has been designed and work is planned to continue to optimize the system. Additionally, further work has examined the final conditioning of salt which has been saturated with radionuclides after processing organic waste streams A conceptual pilot plant has been designed to solidify radionuclide saturated salt into a form acceptable for repositories according to EU directives. Saturated salt is milled to a powder and immobilized in a matrix with a high percentage of waste loading. Both geo-polymer and polysiloxane matrices have been methods for low temperature immobilization. Conditioning in this manner decreases operating and capital costs when compared to current conditioning technologies and procedures utilized for high volume reduction factors of final waste forms. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Flat-Panel Cone-Beam Ct-Guided Radiofrequency Ablation of Very Small (≤1.5 cm) Liver Tumors: Technical Note on a Preliminary Experience

PurposeThe aim of the present study was to investigate the technical feasibility of flat-panel cone-beam CT (CBCT)-guided radiofrequency ablation (RFA) of very small (<1.5 cm) liver tumors.Materials and MethodsPatients included were candidates for hepatic percutaneous RFA as they had single biopsy-proven hepatic tumors sized ≤1.5 cm and poorly defined on ultrasonography. Following apnea induction, unenhanced CBCT scans were acquired and used to deploy the RF electrode with the aid of a virtual navigation system. If the tumor was not clearly identified on the unenhanced CBCT scan, a right retrograde arterial femoral access was established to carry out hepatic angiography and localize the tumor. Patients’ lesions and procedural variables were recorded and analyzed.ResultsThree patients (2 male and 1 female), aged 68, 76, and 87 years were included; 3 lesions (2 hepato-cellular carcinoma and 1 metastasis from colorectal cancer) were treated. One patient required hepatic angiography. Cycles of apnea used to acquire CBCT images and to deploy the electrode lasted <120 s. Mean fluoroscopic time needed to deploy the electrode was 36.6 ± 5.7 min. Mean overall procedural time was 66.0 ± 22.9 min. No peri- or post-procedural complications were noted. No cases of incomplete ablation were noted at 1-month follow-up.ConclusionPercutaneous CBCT-guided liver RFA with or without arterial hepatic angiography is technically feasible.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2013

Calibration of time-of-flight cameras for accurate intraoperative surface reconstruction

Purpose: In image-guided surgery (IGS) intraoperative image acquisition of tissue shape, motion, and morphology is one of the main challenges. Recently, time-of-flight (ToF) cameras have emerged as a new means for fast range image acquisition that can be used for multimodal registration of the patient anatomy during surgery. The major drawbacks of ToF cameras are systematic errors in the image acquisition technique that compromise the quality of the measured range images. In this paper, we propose a calibration concept that, for the first time, accounts for all known systematic errors affecting the quality of ToF range images. Laboratory and in vitro experiments assess its performance in the context of IGS.Methods: For calibration the camera-related error sources depending on the sensor, the sensor temperature and the set integration time are corrected first, followed by the scene-specific errors, which are modeled as function of the measured distance, the amplitude and the radial distance to the principal point of the camera. Accounting for the high accuracy demands in IGS, we use a custom-made calibration device to provide reference distance data, the cameras are calibrated too. To evaluate the mitigation of the error, the remaining residual error after ToF depth calibration was compared with that arising from using the manufacturer routines for several state-of-the-art ToF cameras. The accuracy of reconstructed ToF surfaces was investigated after multimodal registration with computed tomography (CT) data of liver models by assessment of the target registration error (TRE) of markers introduced in the livers.Results: For the inspected distance range of up to 2 m, our calibration approach yielded a mean residual error to reference data ranging from 1.5 ± 4.3 mm for the best camera to 7.2 ± 11.0 mm. When compared to the data obtained from the manufacturer routines, the residual error was reduced by at least 78% from worst calibration result to most accurate manufacturer data. After registration of the CT data with the ToF data, the mean TRE ranged from 3.7 ± 2.1 mm for point-based and 5.7 ± 1.9 mm for surface-based registration for the best camera to 6.2 ± 3.4 and 11.1 ± 2.8 mm, respectively. Compared to data provided by the manufacturer, the mean TRE decreased by 8%–60% for point-based and by 18%–74% for surface-based registration.Conclusions: Using the proposed calibration approach improved the measurement accuracy of all investigated ToF cameras. Although evaluated in the context of intraoperative image acquisition, the proposed calibration procedure can easily be applied to other medical applications using ToF cameras, such as patient positioning or respiratory motion tracking in radiotherapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2016

Image-Guided Spinal Ablation: A Review

The image-guided thermal ablation procedures can be used to treat a variety of benign and malignant spinal tumours. Small size osteoid osteoma can be treated with laser or radiofrequency. Larger tumours (osteoblastoma, aneurysmal bone cyst and metastasis) can be addressed with radiofrequency or cryoablation. Results on the literature of spinal microwave ablation are scarce, and thus it should be used with caution. A distinct advantage of cryoablation is the ability to monitor the ice-ball by intermittent CT or MRI. The different thermal insulation, temperature and electrophysiological monitoring techniques should be applied. Cautious pre-procedural planning and intermittent intra-procedural monitoring of the ablation zone can help reduce neural complications. Tumour histology, patient clinical-functional status and life-expectancy should define the most efficient and least disabling treatment option.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2016

SBA-15 mesoporous silica free-standing thin films containing copper ions bounded via propyl phosphonate units - preparation and characterization

The SBA-15 silica thin films containing copper ions anchored inside channels via propyl phosphonate groups are investigated. Such materials were prepared in the form of thin films, with hexagonally arranged pores, laying rectilinear to the substrate surface. However, in the case of our thin films, their free standing form allowed for additional research possibilities, that are not obtainable for typical thin films on a substrate. The structural properties of the samples were investigated by X-ray reflectometry, atomic force microscopy (AFM) and transmission electron microscopy (TEM). The molecular structure was examined by Raman spectroscopy supported by numerical simulations. Magnetic measurements (SQUID magnetometry and EPR spectroscopy) showed weak antiferromagnetic interactions between active units inside silica channels. Consequently, the pores arrangement was determined and the process of copper ions anchoring by propyl phosphonate groups was verified in unambiguous way. Moreover, the type of interactions between magnetic atoms was determined. - Highlights: • Functionalized free-standing SBA-15 thin films were synthesized for a first time. • Thin films synthesis procedure was described in details. • Structural properties of the films were thoroughly investigated and presented. • Magnetic properties of the novel material was investigated and presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

TU-F-201-04: Applications in Small Fields and Proton Beams

60 APPLIED LIFE SCIENCES↗