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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Clinical Outcomes of Computed Tomography–Based Volumetric Brachytherapy Planning for Cervical Cancer

Purpose/Objectives: A report of clinical outcomes of a computed tomography (CT)-based image guided brachytherapy (IGBT) technique for treatment of cervical cancer. Methods and Materials: Seventy-six women with International Federation of Gynecology and Obstetrics stage IB to IVA cervical carcinoma diagnosed between 2007 and 2014 were treated with definitive external beam radiation therapy (EBRT) with or without concurrent chemotherapy followed by high-dose-rate (HDR) IGBT. All patients underwent planning CT simulation at each implantation. A high-risk clinical target volume (HRCTV) encompassing any visible tumor and the entire cervix was contoured on the simulation CT. When available, magnetic resonance imaging (MRI) was performed at implantation to assist with tumor delineation. The prescription dose was prescribed to the HRCTV. Results: The median follow-up time was 17 months. Thirteen patients (17%) had an MRI done before brachytherapy, and 16 patients (21%) were treated without MRI guidance. The mean EBRT/IGBT sum 2-Gy equivalent dose (EQD2) delivered to the 90% volume of the HRCTV was 86.3 Gy. The mean maximum EQD2s delivered to 2 cm{sup 3} of the rectum, sigmoid, and bladder were 67.5 Gy, 66.2 Gy, and 75.3 Gy, respectively. The 2-year cumulative incidences of local, locoregional, and distant failure were 5.8% (95% confidence interval [CI]: 1.4%-14.8%), 15.1% (95% CI: 5.4%-29.4%), and 24.3% (95% CI: 12.1%-38.9%), respectively. The 2-year overall and disease-free survival rates were 75% (95% CI, 61%-91%) and 73% (95% CI, 60%-90%), respectively. Twenty-nine patients (38%) experienced grade ≥2 acute toxicity, with 5 cases of acute grade 3 toxicity and no grade ≥4 toxicities. One patient experienced grade 3 gastrointestinal toxicity. No other late grade ≥3 events were observed. Conclusions: This is the largest report to date of CT/MRI-based IGBT for the treatment of cervical cancer. The results are promising, with excellent local control and acceptable toxicity. Further investigation is needed to assess the long-term safety and efficacy of this treatment.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Time-Resolved Intrafraction Target Translations and Rotations During Stereotactic Liver Radiation Therapy: Implications for Marker-based Localization Accuracy

Purpose: Image guided liver stereotactic body radiation therapy (SBRT) often relies on implanted fiducial markers. The target localization accuracy decreases with increased marker-target distance. This may occur partly because of liver rotations. The aim of this study was to examine time-resolved translations and rotations of liver marker constellations and investigate if time-resolved intrafraction rotational corrections can improve localization accuracy in liver SBRT. Methods and Materials: Twenty-nine patients with 3 implanted markers received SBRT in 3 to 6 fractions. The time-resolved trajectory of each marker was estimated from the projections of 1 to 3 daily cone beam computed tomography scans and used to calculate the translation and rotation of the marker constellation. In all cone beam computed tomography projections, the time-resolved position of each marker was predicted from the position of another surrogate marker by assuming that the marker underwent either (1) the same translation as the surrogate marker; or (2) the same translation as the surrogate marker corrected by the rotation of the marker constellation. The localization accuracy was quantified as the root-mean-square error (RMSE) between the estimated and the actual marker position. For comparison, the RMSE was also calculated when the marker's position was estimated as its mean position for all the projections. Results: The mean translational and rotational range (2nd-98th percentile) was 2.0 mm/3.9° (right-left), 9.2 mm/2.9° (superior-inferior), 4.0 mm/4.0° (anterior-posterior), and 10.5 mm (3-dimensional). Rotational corrections decreased the mean 3-dimensional RMSE from 0.86 mm to 0.54 mm (P<.001) and halved the RMSE increase per millimeter increase in marker distance. Conclusions: Intrafraction rotations during liver SBRT reduce the accuracy of marker-guided target localization. Rotational correction can improve the localization accuracy with a factor of approximately 2 for large marker-target distances.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Edema and Seed Displacements Affect Intraoperative Permanent Prostate Brachytherapy Dosimetry

Purpose: We sought to identify the intraoperative displacement patterns of seeds and to evaluate the correlation of intraoperative dosimetry with day 30 for permanent prostate brachytherapy. Methods and Materials: We analyzed the data from 699 patients. Intraoperative dosimetry was acquired using transrectal ultrasonography (TRUS) and C-arm cone beam computed tomography (CBCT). Intraoperative dosimetry (minimal dose to 40%-95% of the volume [D{sub 40}-D{sub 95}]) was compared with the day 30 dosimetry for both modalities. An additional edema-compensating comparison was performed for D{sub 90}. Stranded seeds were linked between TRUS and CBCT using an automatic and fast linking procedure. Displacement patterns were analyzed for each seed implantation location. Results: On average, an intraoperative (TRUS to CBCT) D{sub 90} decline of 10.6% ± 7.4% was observed. Intraoperative CBCT D{sub 90} showed a greater correlation (R{sup 2} = 0.33) with respect to Day 30 than did TRUS (R{sup 2} = 0.17). Compensating for edema, the correlation increased to 0.41 for CBCT and 0.38 for TRUS. The mean absolute intraoperative seed displacement was 3.9 ± 2.0 mm. The largest seed displacements were observed near the rectal wall. The central and posterior seeds showed less caudal displacement than lateral and anterior seeds. Seeds that were implanted closer to the base showed more divergence than seeds close to the apex. Conclusions: Intraoperative CBCT D{sub 90} showed a greater correlation with the day 30 dosimetry than intraoperative TRUS. Edema seemed to cause most of the systematic difference between the intraoperative and day 30 dosimetry. Seeds near the rectal wall showed the most displacement, comparing TRUS and CBCT, probably because of TRUS probe–induced prostate deformation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Multicenter Evaluation of Biochemical Relapse–Free Survival Outcomes for Intraoperatively Planned Prostate Brachytherapy Using an Automated Delivery System

Purpose: To report biochemical recurrence in prostate cancer treated with intraoperatively planned low-dose-rate prostate brachytherapy using an automated delivery system (IO-LDRB). Methods and Materials: Between 2003 and 2013, 2608 patients from 3 centers were treated with IO-LDRB as single-modality treatment for low or low-tier intermediate-risk prostate cancer. Databases from the 3 centers have been analyzed. These independent databases were collected prospectively. Patient, tumor, and treatment characteristics were then compared, Kaplan-Meier survival estimates of biochemical relapse–free survival (bRFS) were generated, and the Cox proportional hazards model was used to determine factors predicting for relapse. Results: A total of 2608 patients with a median follow-up of 4.7 (interquartile range, 3.1-6.9) years were analyzed. Median age was 64 (range, 42-84) years. In these patients, median initial prostate-specific antigen was 5.5 ng/mL, 74% were T1, and 26% were T2; 73% were Gleason 6, and 25% Gleason 7. Median percentage of biopsy cores positive was 33%, and median gland volume was 34.2 cm{sup 3}. Eleven percent of patients received hormones for a median of 3.0 months before implantation. Median seed activity was 0.437 mCi, D90 (dose covering 90% of the prostate volume) was 186.7 Gy, and V100 was 99.37%. Biochemical relapse was observed in 124 patients (4.8%), and median time to failure was 4.0 years. Predicted bRFS was 93% at 7 years. On Cox regression bRFS was dependent only on D90 at the time of implantation and prostate-specific antigen density. Conclusions: This study demonstrates that IO-LDRB is an effective treatment option for patients with low and low-tier intermediate-risk prostate cancer. Rates of biochemical relapse remain low several years after treatment. These results compared favorably to published manual preplan technique results.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2021

Enhanced biomechanical performance of additively manufactured Ti-6Al-4V bone plates

As the global trauma fixation devices market expands rapidly, it is imperative to improve the production of fixation devices through enhanced design accuracy and fit for best performance and maximum patient comfort. Selective laser melting (SLM) is one of the mature additive manufacturing methods, which provides a viable route for the rapid production of such devices. In this work, the ability of SLM to produce near-net-shape parts, as desired for medical implants, was utilized for the fabrication of bone plates from Ti-6Al-4V alloy powder. Martensitic microstructure obtained after the printing of alloy resulted in poor ductility, limiting its application in the field of orthopedics. A specially designed repeated cyclic heating and cooling close to but below the β-transus was used to transform from acicular to a bimodal microstructure without the need for plastic deformation prior to heat treatment for improving the ductility. Bone plates subjected to this heat treatment were mechanically tested by means of tensile and 3-point bend tests and demonstrated large improvement in ductility, and the values were comparable to those similar plates prepared from wrought alloy. Other important properties required for implants were assessed, such as corrosion resistance in simulated body fluid and cytocompatibility in vitro using MC3T3-E1 cells. These results for the bone plate after heat treatment were excellent and similar to those of the additively manufactured and wrought plates. Taken together, the performance of the additively manufactured bone plates after subjecting to heat treatment was similar to those of bone plate manufactured using wrought alloy. These results have important implications for the fabrication of patient-specific metallic orthopedic devices using SLM without compromising their biomechanical performance by subjecting them to a tailored heat treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Near-surface and bulk behavior of Ag in SiC

The diffusive release of fission products, such as Ag, from TRISO particles at high temperatures has raised concerns regarding safe and economic operation of advanced nuclear reactors. Understanding the mechanisms of Ag diffusion is thus of crucial importance for effective retention of fission products. Two mechanisms, i.e., grain boundary diffusion and vapor or surface diffusion through macroscopic structures such as nano-pores or nano-cracks, remain in debate. In the present work, an integrated computational and experimental study of the nearsurface and bulk behavior of Ag in silicon carbide (SiC) has been carried out. The ab initio calculations show that Ag prefers to adsorb on the SiC surface rather than in the bulk, and the mobility of Ag on the surface is high. The energy barrier for Ag desorption from the surface is calculated to be 0.85~1.68 eV, and Ag migration into bulk SiC through equilibrium diffusion process is not favorable. Experimentally, Ag ions are implanted into SiC to produce Ag profiles buried in the bulk and peaked at the surface. High-temperature annealing leads to Ag release from the surface region instead of diffusion into the interior of SiC. It is suggested that surface diffusion through mechanical structural imperfection, such as vapor transport through cracks in 2 SiC coatings, may be a dominating mechanism accounting for Ag release from the SiC in the nuclear reactor.

Ag↗
DOE OSTI2014

Deuterium retention and out-gassing from beryllium oxide on beryllium

We studied the desorption of D implanted into Be with a superficial oxide layer. We found that the different oxide thicknesses and implantation at different energies resulted in a strong variation of the fraction stopped within the oxide layer. Thermal desorption of D was subsequently performed, intermitted by nuclear reaction analysis for assessment of the D depth distributions and total retained amounts. Moreover, for the conditions, where part of the D was deposited in the Be substrate, a sharp decrease of the retained amount of D occurs around 200 °C. This is attributed to the release from metallic Be. Correspondingly, the D and O depth profiles show that above 200 °C the remaining D is only retained in the BeO layer. Apparently, the superficial BeO layer does not act as a diffusion barrier for D that is released from the metallic substrate. The retained amount of D deposited within the BeO layer decreases steadily and is not completely released at 350 °C, the foreseen bake-out temperature in ITER.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2016

Dose dependence of helium bubble formation in nano-engineered SiC at 700 °C

Knowledge of radiation-induced helium bubble nucleation and growth in SiC is essential for applications in fusion and fission environments. Here we report the evolution of microstructure in nano-engineered (NE) 3C SiC, pre-implanted with helium, under heavy ion irradiation at 700 °C up to doses of 30 displacements per atom (dpa). Elastic recoil detection analysis confirms that the as-implanted helium depth profile does not change under irradiation to 30 dpa at 700 °C. While the helium bubble size distribution becomes narrower with increasing dose, the average size of bubbles remains unchanged and the density of bubbles increases somewhat with dose. These results are consistent with a long helium bubble incubation process under continued irradiation at 700 °C up to 30 dpa, similar to that reported under dual and triple beam irradiation at much higher temperatures. The formation of bubbles at this low temperature is enhanced by the nano-layered stacking fault structure in the NE SiC, which enhances point defect mobility parallel to the stacking faults. Here, this stacking fault structure is stable at 700 °C up to 30 dpa and suppresses the formation of dislocation loops normally observed under these irradiation conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Formation, migration, and clustering energies of interstitial He in α-quartz and β-cristobalite

Precipitation of implanted helium (He) is detrimental to many nuclear materials. A solid in which implanted He does not precipitate, but rather remains in solution and diffuses readily is potentially of interest for applications requiring resistance to He-induced damage. Here we use density functional theory (DFT) calculations to examine He interstitial formation, migration, and clustering energies in two SiO 2 polymorphs: α-quartz and β-cristobalite. Our findings show greater He solubility and mobility in the latter than in the former. This difference appears to be due primarily to the unlike atomic-level structures of α-quartz and β-cristobalite, rather than their differing densities. Our findings also suggest that He is unlikely to cluster in either material. The behavior of He in α-quartz and β-cristobalite, and similar forms of silica make them promising materials for further investigation for potential use in applications requiring resistance to He-induced damage.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Expanding the capability of reaction-diffusion codes using pseudo traps and temperature partitioning: Applied to hydrogen uptake and release from tungsten

Simulating the implantation and thermal desorption evolution in a reaction-diffusion model requires solving a set of coupled differential equations that describe the trapping and release of atomic species in Plasma Facing Materials (PFMs). These fundamental equations are well outlined by the Tritium Migration Analysis Program (TMAP) which can model systems with no more than three active traps per atomic species. To overcome this limitation, we have developed a Pseudo Trap and Temperature Partition (PTTP) scheme allowing us to lump multiple inactive traps into one pseudo trap, simplifying the system of equations to be solved. For all temperatures, we show the trapping of atoms from solute is exactly accounted for when using a pseudo trap. However, a single effective pseudo trap energy can not well replicate the release from multiple traps, each with its own detrapping energy. However, atoms held in a high energy trap will remain trapped at relatively low temperatures, and thus there is a temperature range in which release from high energy traps is effectively inactive. By partitioning the temperature range into segments, a pseudo trap can be defined for each segment to account for multiple high energy traps that are actively trapping but are effectively not releasing atoms. With increasing temperature, as in controlled thermal desorption, the lowest energy trap is nearly emptied and can be removed from the set of coupled equations, while the next higher energy trap becomes an actively releasing trap. Each segment is thus calculated sequentially, with the last time step of a given segment solution being used as an initial input for the next segment as only the pseudo and actively releasing traps are modeled. This PTTP scheme is then applied to experimental thermal desorption data for tungsten (W) samples damaged with heavy ions, which display six distinct release peaks during thermal desorption. Without modifying the TMAP7 source code the PTTP scheme is shown to successfully model the D retention in all six traps. In conclusion, we demonstrate the full reconstruction from the plasma implantation phase through the controlled thermal desorption phase with detrapping energies near 0.9, 1.1, 1.4, 1.7, 1.9 and 2.1 eV for a W sample damaged at room temperature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Helium causing disappearance of a/2<111> dislocation loops in binary Fe-Cr ferritic alloys

In this work, single and dual-beam self-ion irradiations were performed at 500°C on ultra-high purity Fe14%Cr alloy to ~0.33 displacements-per-atom (dpa), and 0 or 3030 atomic-parts-per-million (appm) helium/dpa, respectively. Using transmission electron microscopy, we reveal that helium can drastically modify the dislocation loop Burgers vector in Fe-Cr alloys. Helium co-implantation caused complete disappearance of a/2<111> type dislocation loops, and the microstructure consisted of only a<100> loops. Conversely, a/2<111> type loops were predominant without He co-implantation. The total loop density remained largely unaffected. The results strikingly contrast literature asserting that helium stabilizes a/2<111> type loops in bcc Fe alloys, based on low temperature irradiations. Collectively analyzing the results with literature suggest that the small positive interaction between helium and self-interstitial atoms (SIA) in Fe predicted by atomistic simulations maybe insufficient to holistically explain the dislocation loop microstructure development in presence of helium. Helium-SIA positive binding inadvertently implies elevated a/2<111> loop fraction and higher loop densities that the present results contradict. Helium induced high cavity density causing a preferential loss of highly glissile <111> clusters, leaving the matrix saturated with <100> type clusters is proposed as a potential mechanism. Further, the in-situ irradiations combined with Burgers vector analysis strengthened the evidence of Cr-induced dislocation loop mobility reduction that appears to stabilize the a/2<111> type loops and causes higher loop densities in Fe-Cr alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Microstructure and mechanical properties of Ti-35Nb-6Ta alloy after thermomechanical treatment

The influence of thermo-mechanical treatment on microstructure and mechanical properties of T-35Nb-6Ta has been studied. The thermo-mechanical treatment was chosen to correspond to the production of wire with suitable mechanical properties for dental implants. After casting the alloy was hot forged (700-900 Degree-Sign C), solution treated (850 Degree-Sign C/30 min, water quenched) and cold swaged (reductions up to 91%). The annealing (700 Degree-Sign C/3 h/furnace) or aging (450 Degree-Sign C/8 h/furnace) was used as final heat treatment. The microstructure was studied by using light microscopy, scanning electron microscopy, transmission electron microscopy and XRD analysis. Cold swaging introduces microstructure consisting of highly deformed {beta}-phase grains with dislocation tangles and twins, which ensures high tensile strength about 820 MPa, low Young's modulus ({approx} 50 GPa) and good ductility {approx} 10%. Subsequent aging increases tensile strength (1000 MPa) as well as Young's modulus (75 GPa) without diminishing ductility. Annealing at 700 Degree-Sign C slightly decreases tensile strength (730 MPa) and increases the ductility and Young's modulus (17% and 62 GPa respectively). The mechanical properties attained recommend the thermo-mechanical treatment for production of wires for dental implants. - Highlights: Black-Right-Pointing-Pointer Ti35Nb6Ta alloy prepared via arc melting. Black-Right-Pointing-Pointer Thermo mechanical treatment. Black-Right-Pointing-Pointer Microstructural changes. Black-Right-Pointing-Pointer Mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Helium bubble evolution in a Zr–Sn–Nb–Fe–Cr alloy during post-annealing: An in-situ investigation

The formation of helium bubbles is considered to be detrimental to the mechanical performance of the nuclear materials. The growth behaviors of helium bubbles in a helium ion implanted Zr–Sn–Nb–Fe–Cr alloy with respect to the helium fluence and subsequently annealing procedure were investigated by in-situ transmission electron microscopy. In the as-implanted sample, the measured size distributions of the helium bubbles are consistent with the simulated helium concentrations. Moreover, the mean size of the helium bubbles increases with the increase of the irradiation temperatures and the helium fluence. The in-situ heating study performed in a transmission electron microscope indicates that the mean size of the helium bubbles increase slowly below 923 K and dramatically above 923 K. The coarsening mechanism of the helium bubbles in the alloy is suggested based on the study. - Highlights: • Helium bubble growth in zirconium with annealing was in-situ investigated in TEM. • The mean helium bubble size increase with helium fluence and annealing temperature. • Helium bubble size distribution is same as that of helium concentration by SRIM. • Mean bubble size increases slowly and quickly with temperature below and above 923 K. • The growth mechanism of the helium bubbles in Zr alloy has been discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Influence of surface pattern on the biological properties of Ti grade 2

Highlights: • Laser modification causes changes in chemical composition of the surface. • Laser treatment creates roughness in a range from nano- to micrometers. • The surface modification presented results in a multimodal topography. • A hierarchical topography promotes protein adsorption. - Abstract: This paper presents a detailed characterization of Ti surface geometries as produced by non-contact laser functionalization and its impact on the process of protein adsorption. The proposed surface modification is designed for the local treatment of implantable devices with original roughness. In this work, titanium plates were initially modified by the two most common mechano-chemical treatments, shot peening and acid etching. The material under study was next functionalized DLIL (Direct Laser Interference Lithography) in order to obtained two different surface patterns: grooves and islands. The modified surfaces were characterized in terms of their shape, roughness, wettability, surface energy and chemical composition. For this purpose, the following methods were used: scanning electron microscopy, optical profilometry, atomic force microscopy, contact angle measurements, and X-ray photoelectron spectroscopy. Protein adsorption tests were conducted to consider the potential of the proposed methodology in biomedical applications and to compare the influence of the two different surface patterns on the initial state of ossointegration. To this end, XPS and FTIR studies were conducted. The systematic analysis presented will be useful when selecting an appropriate surface geometry for the local surface functionalization of implantable devices.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Radiation-induced swelling and radiation-induced segregation & precipitation in dual beam irradiated Ferritic/Martensitic HT9 steel

Highlights: • The depth-dependence of radiation-induced cavities was characterized in self-ion irradiated HT9 co-implanted with He. • The injected interstitial effect was revealed to suppress cavity swelling in the vicinity of the damage peak. • ChemiSTEM elemental maps revealed the segregation of Ni at cavity surfaces and its possible synergistic influence on swelling was discussed. - Abstract: Ferritic/Martensitic HT9 steel was irradiated at 432 °C to 16.6 displacements per atom (dpa) (at the depth of 600 nm) using a defocused beam of 5 MeV Fe{sup ++} ions, while co-implanted with 3.22 appm He at the same depth. The helium concentration profile was designed so to follow the damage curve with a 0.22 appm He/dpa ratio at the depth from 300 to 1000 nm in the material. The depth-dependence of the cavity size and number density were characterized by both transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) imaging methods. A comparison between the two techniques was done showing good agreement. Cavity number density and the resulting swelling were found to be suppressed by the injected interstitial effect in the vicinity of the ion induced damage peak. The region between 300 and 750 nm depth which excludes the injected interstitial effect was thus proposed for improved cavity swelling analysis. The swelling ratio in this region was found to be ~(0.86–1.02) × 10{sup − 2}%/dpa. In addition, ChemiSTEM characterization revealed radiation-induced segregation occurring throughout the irradiated region and precipitation of G-phase particles. Segregation of Ni to cavity surfaces was also observed and its possible synergistic influence on swelling was discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructural analysis of undoped and moderately Sc-doped TiO2 anatase nanoparticles using Scherrer equation and Debye function analysis

Highlights: • UV light sensitive undoped and moderate Sc-doped anatase nanocrystallites were prepared without post-synthesis annealing. • Elongated nanocrystallites were found by Scherrer equation and Debye Function Analysis applied to XRD data and also HRTEM. • 4 at.% Sc doping reduced the amount of Ti vacancies by half. • Doping showed ~0.3% growth of lattice parameters. - Abstract: UV light sensitive undoped and moderate (4 at.%) Sc-doped anatase nanocrystallites were prepared by an efficient and environmentally benign method based on homogeneous hydrolysis of TiOSO{sub 4} and Sc{sub 2}(C{sub 2}O{sub 4}){sub 3.5}H{sub 2}O aqueous solutions using urea as a precipitation agent, without post-synthesis calcination or annealing. X-ray diffraction study of the obtained powders revealed single phase anatase in both samples. Two different methods were applied to estimate the anatase crystallite size and shape from the X-ray diffraction data. The first one is based on the more conventional Scherrer equation (as implanted in GSAS-II program) while the second one is based on Debye function analysis (as implanted in DUBUSSY suite version 2.2), which is considered to be more adequate for nanocrystallites. Although each program has its own shape models, both methods indicated similar results of elongated nanocrystallite geometry for Sc-doped TiO{sub 2}: (i) GSAS-II confirmed ellipsoid shape with equatorial size of 5.1(0) nm and axial size of 6.8(0), (ii) DEBUSSY suite 2.2 showed cylinder shape with diameter of equivalent circle in the ab-plane, D{sub ab} = 4.9(1.0) nm and crystallite length along the c-axis, L{sub c} = 5.4(3.2) nm. For the undoped TiO{sub 2} sample, equatorial size of 5.5(0) nm and axial size of 7.3(0) nm for the ellipsoid shape was determined according to GSAS-II, while D{sub ab} = 5.5(1.3) nm and L{sub c} = 6.0(2.2) nm for the cylinder shape was determined by DEBUSSY suite 2.2. These outcomes were found to corroborate with HRTEM analysis. Doping with 4 at.% Sc caused ~0.3% growth of lattice parameters from a = 3.7979 [4] Å, c = 9.4995 [9] Å for the undoped sample to a = 3.8110 [7] Å, c = 9.5274 [16] Å for the moderately Sc doped sample, while reduction in the Ti vacancies by half was confirmed by both methods. The introducing of Sc as electronically active secondary species into the crystal lattice of TiO{sub 2} can greatly alter its optical absorption. The incorporation of Sc into the crystal lattice of TiO{sub 2} favors the substitution of Ti, as both have approximately the same ionic size, and generates surface oxygen vacancies which can act as trapping center for the photogenerated electrons and reduce the recombination of electron–hole pairs. We can expect Sc doped TiO{sub 2} nanomaterials to have applications as effective photocatalysts for selective photocatalytic oxidation of various environmental organic pollutants.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

The role of Cr concentration and temperature on cavity swelling with co-injected helium in dual-ion irradiated Fe and Fe-Cr alloys

The level of chromium plays an essential role in irradiation tolerance of Fe-Cr ferritic alloys. However, conflicting results have been reported regarding the dependence of cavity swelling under irradiation on Cr level and temperature. Here, we have performed a comprehensive set of simultaneous dual-ion (Ni + He) irradiations to high dose (~30 displacements per atom, dpa) at 400–550 °C on a series of ultra-high purity Fe and Fe-Cr binary alloys (3–14 wt.%Cr). Helium co-implantation rates of 0.1 and 10 appm He/dpa were selected to examine He synergistic effects relevant for fission and fusion reactor conditions, respectively. Cavities were observed in all irradiated samples by transmission electron microscopy. The results show that higher He implantation rate causes a shift in the swelling peak to higher temperatures in both Fe and Fe-Cr alloys. When assuming smaller cavities as biased sinks, the non-monotonic nature of the cavity swelling behavior is related to the ratio of biased to unbiased point defect sink strengths. Cr-enriched precipitates were observed in Fe-14Cr irradiated at 400 °C by atom probe tomography. Our analysis suggests the formation of Cr-enriched precipitates could suppress cavity swelling for Fe-Cr alloys with Cr content above 10 wt%.

36 MATERIALS SCIENCE↗

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