Multifunctional radiation shielding performance of hafnium-containing MAX-related borides: The impact of A-site chemistry and boron concentration

Öz

This study investigates the influence of A-site chemistry and boron concentration on the gamma-ray (γ-ray), neutron, and charged particle attenuation of a series of hafnium-containing MAX-related borides (Hf2SB, Hf2SeB, Hf2InB, Hf2TeB, Hf2PbB, Hf2BiB, Hf2InB2, Hf2SnB2, Hf3PB4, and Hf3SnB4) via systematic theoretical calculations. For γ-rays, efficiency is governed by a compositional trade-off between effective atomic number, density, and elemental composition: high atomic number (high-Z) Hf2BiB and Hf2PbB exhibited the highest calculated attenuation performance among the investigated MAX-related borides and showed lower half-value layer (HVL) values than pure lead (Pb) at selected photon energies, particularly around 2.5 MeV. Analysis showed that selected light-A-site compositions, particularly Hf2SB and Hf3PB4, maintain competitive γ-ray attenuation relative to binary HfB2 by preserving a high hafnium (Hf) fraction, although the relative ranking depends strongly on the photon-energy regime and attenuation parameter considered. For neutrons, performance was primarily driven by boron content. Among the investigated MAX-related borides, the boron-rich Hf3PB4 and Hf3SnB4 phases demonstrated the highest fast neutron removal cross sections, reaching up to 0.1647 cm-1, and exceeded the B4C benchmark value used in this study (0.141 cm-1). Notably, these phases also showed short-calculated ranges for protons and alpha particles, suggesting favorable heavy charged-particle stopping behavior associated with their relatively high light-element content. This trade-off identifies Hf3PB4 as the most balanced multifunctional candidate among the investigated compositions, combining strong neutron and heavy charged-particle attenuation with competitive γ-ray shielding, and highlights the potential of Hf-containing MAX-related borides for multifunctional radiation-shielding applications.

Anahtar Kelimeler

• Gamma-ray attenuation
• Neutron shielding
• Radiation shielding
• Hafnium
• Boride
• Max phase

Destekleyen Kurum

TÜBİTAK

Proje Numarası

223M259

Etik Beyan

The author declares that the manuscript was prepared in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.

Teşekkür

Financial support from The Scientific and Technological Research Council of Turkey (TÜBİTAK) under contract number 223M259 is appreciated.

Hafniyum içeren MAX-ilişkili borürlerin çok fonksiyonlu radyasyon zırhlama performansı: A-sitesi kimyası ve bor konsantrasyonunun etkisi

Öz

Bu çalışma; bir dizi hafniyum içeren MAX fazı borürün (Hf₂SB, Hf₂SeB, Hf₂InB, Hf₂TeB, Hf₂PbB, Hf₂BiB, Hf₂InB₂, Hf₂SnB₂, Hf₃PB₄ ve Hf₃SnB₄) A-sitesi kimyası ve bor konsantrasyonunun; gama ışını (γ-ışını), nötron ve yüklü parçacık zayıflatma özellikleri üzerindeki etkisini sistematik teorik hesaplamalar yoluyla incelemektedir. Gama ışınları için verimlilik, bileşimsel bir dengeyle belirlenmektedir: Yüksek atom numarasına (Z) sahip Hf₂BiB ve Hf₂PbB fazları, yapısal yoğunluk avantajları sayesinde incelenen tüm malzemeler arasında en yüksek performansı sergilemiş ve 2.5 MeV enerjide saf kurşunu (Pb) bile geride bırakmıştır. Analizler; hafif A-sitesi elementlerine (S, P) sahip Hf₂AB fazlarının, yüksek hafniyum (Hf) oranını koruyarak tüm enerji rejimlerinde ikili HfB₂ yapısını geride bıraktığını göstermiştir. Nötron zırhlama performansı üzerinde bor içeriği temel belirleyici rolü oynamıştır. Bor bakımından zengin Hf₃PB₄ ve Hf₃SnB₄ fazları, 0.1647 cm⁻¹’e varan değerlerle en yüksek hızlı nötron uzaklaştırma tesir kesitlerini sunarak B₄C referansını (0.141 cm⁻¹) geride bırakmıştır. Aynı fazlar, hafif element konsantrasyonunun sunduğu avantajla proton ve alfa parçacıklarına karşı da en yüksek zayıflatma verimliliğini sergilemiş; bu rejimde yüksek-Z etkisinin ikincil planda kaldığını doğrulamıştır. Bu denge analizi, Hf₃PB₄ fazını en uygun çok fonksiyonlu aday olarak öne çıkarmaktadır. Bu fazın sunduğu üstün nötron/yüklü parçacık zayıflatma yeteneği ile rekabetçi gama ışını zırhlama performansı, gelişmiş radyasyon koruma uygulamaları için ideal bir denge sağlamakta ve hafniyum içeren MAX fazı borürlerin potansiyelini ortaya koymaktadır.

Anahtar Kelimeler

• Gama ışını zayıflatma
• Nötron zırhlama
• radyasyon kalkanlama
• Hafniyum
• Borür
• MAX fazı

Proje Numarası

223M259

Kaynakça

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