Jose Luis Salcedo Perez
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View article: Status of GPU capabilities within the Shift Monte Carlo radiation transport code
Status of GPU capabilities within the Shift Monte Carlo radiation transport code Open
Shift is a general-purpose Monte Carlo (MC) radiation transport code for fission, fusion, and national security applications. Shift has been adapted to efficiently run on GPUs in order to leverage leadership-class supercomputers. This work…
View article: ROADRUNNER MiniFuel Experiment - Irradiation Target Design and Sample Characterization
ROADRUNNER MiniFuel Experiment - Irradiation Target Design and Sample Characterization Open
High-density uranium nitride (UN) is a fuel candidate for several advanced nuclear reactor designs currently under development. Because there are limited UN performance data relative to fuel fabrication impurity and density variation, an i…
View article: NSUF BOILER Pre-Irradiation Characterization and High Flux Isotope Reactor Experiment Design
NSUF BOILER Pre-Irradiation Characterization and High Flux Isotope Reactor Experiment Design Open
Alumina-forming austenitic (AFA) stainless steels have emerged as a candidate alloy because of their high-temperature strength, formability, cost, and compatibility with primary coolants for lead-cooled fast reactors (LFRs). This class of …
View article: High-throughput assessment of hypothetical zeolite materials for their synthesizeability and industrial deployability
High-throughput assessment of hypothetical zeolite materials for their synthesizeability and industrial deployability Open
Zeolites are important microporous framework materials, where 200+ structures are known to exist and many millions so-called hypothetical materials can be computationally created. Here, we screen the “Deem” database of hypothetical zeolite…
View article: High-Throughput Assessment of Hypothetical Zeolite Materials for Their Synthesizability and Industrial Deployability
High-Throughput Assessment of Hypothetical Zeolite Materials for Their Synthesizability and Industrial Deployability Open
Zeolites are important microporous framework materials, where 200+ structures are known to exist and many millions so-called hypothetical materials can be computationally created. Here, we screen the “Deem” database of hypothetical zeolite…
View article: High-Throughput Assessment of Hypothetical Zeolite Materials for Their Synthesizability and Industrial Deployability
High-Throughput Assessment of Hypothetical Zeolite Materials for Their Synthesizability and Industrial Deployability Open
Zeolites are important microporous framework materials, where 200+ structures are known to exist and many millions so-called hypothetical materials can be computationally created. Here, we screen the “Deem” database of hypothetical zeolite…
View article: DFT Study of Closed and Open Sites of BEA, FAU, MFI, and BEC Zeolites Substituted with Tin and Titanium
DFT Study of Closed and Open Sites of BEA, FAU, MFI, and BEC Zeolites Substituted with Tin and Titanium Open
DFT with long-range corrections and ONIOM along with a polarizable-continuum model were used to analyze zeolites BEA, FAU, MFI, and BEC substituted with Sn and Ti. The preferential substitution sites for Ti and Sn in the different framewor…